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Sample records for rotating cyclic structures

  1. Finite element forced vibration analysis of rotating cyclic structures

    NASA Technical Reports Server (NTRS)

    Elchuri, V.; Smith, G. C. C.

    1981-01-01

    A capability was added to the general purpose finite element program NASTRAN Level 17.7 to conduct forced vibration analysis of tuned cyclic structures rotating about their axes of symmetry. The effects of Coriolis and centripetal accelerations together with those due to linear acceleration of the axis of rotation were included. The theoretical development of this capability is presented.

  2. Forced vibration analysis of rotating cyclic structures in NASTRAN

    NASA Technical Reports Server (NTRS)

    Elchuri, V.; Gallo, A. M.; Skalski, S. C.

    1981-01-01

    A new capability was added to the general purpose finite element program NASTRAN Level 17.7 to conduct forced vibration analysis of tuned cyclic structures rotating about their axis of symmetry. The effects of Coriolis and centripetal accelerations together with those due to linear acceleration of the axis of rotation were included. The theoretical, user's, programmer's and demonstration manuals for this new capability are presented.

  3. NASTRAN forced vibration analysis of rotating cyclic structures

    NASA Technical Reports Server (NTRS)

    Elchuri, V.; Smith, G. C. C.; Gallo, A. M.

    1983-01-01

    Theoretical aspects of a new capability developed and implemented in NASTRAN level 17.7 to analyze forced vibration of a cyclic structure rotating about its axis of symmetry are presented. Fans, propellers, and bladed shrouded discs of turbomachines are some examples of such structures. The capability includes the effects of Coriolis and centripetal accelerations on the rotating structure which can be loaded with: (1) directly applied loads moving with the structure and (2) inertial loas due to the translational acceleration of the axis of rotation (''base' acceleration). Steady-state sinusoidal or general periodic loads are specified to represent: (1) the physical loads on various segments of the complete structure, or (2) the circumferential harmonic components of the loads in (1). The cyclic symmetry feature of the rotating structure is used in deriving and solving the equations of forced motion. Consequently, only one of the cyclic sectors is modelled and analyzed using finite elements, yielding substantial savings in the analysis cost. Results, however, are obtained for the entire structure. A tuned twelve bladed disc example is used to demonstrate the various features of the capability.

  4. NASTRAN forced vibration analysis of rotating cyclic structures

    NASA Technical Reports Server (NTRS)

    Elchuri, V.; Smith, G. C. C.; Gallo, A. M.

    1983-01-01

    Theoretical aspects of a new capability, developed and added to the general purpose finite element program NASTRAN Level 17.7, to conduct forced vibration analysis of turned cyclic structures rotating about their axis of symmetry, are presented. The effects of Coriolis and centripetal accelerations as well as those due to the translational acceleration of the axis of rotation, are included. The equations of motion are first derived for an arbitrary grid point of the cyclic sector finite element model and then extended for the complete model. The equations are solved by four principal steps: (1) transformation of applied loads at frequency-dependent circumferential harmonic components; (2) application of circumferential harmonic-dependent intersegment compatibility constraints; (3) solution of frequency-dependent circumferential harmonic components of displacements; and (4) recovery of frequency-dependent response in various segments of the total structure. Five interrelated examples are presented to illustrate the various features of the development.

  5. Four New Capabilities in NASTRAN for Dynamic and Aeroelastic Analyses of Rotating Cyclic Structures

    NASA Technical Reports Server (NTRS)

    Elchuri, V.; Gallo, A. M.

    1984-01-01

    Static aerothermoelastic design/analysis of axial-flow compressors, modal flutter analysis of axial-flow turbomachines, forced vibration analysis of rotating cyclic structures and modal flutter analysis of advanced turbopropellers with highly swept blades are four new capabilities developed and implemented in NASTRAN Level 17.7. The contents, applicability and usefulness of these capabilities which were developed and documented under the sponsorship of NASA's Lewis Research Center are discussed. Overall flowcharts and selected examples are presented.

  6. Structure and properties of the weakly bound cyclic trimer (H2O)2HBr observed by rotational spectroscopy

    NASA Astrophysics Data System (ADS)

    Kisiel, Z.; Pietrewicz, B. A.; Desyatnyk, O.; Pszczółkowski, L.; Struniewicz, I.; Sadlej, J.

    2003-09-01

    The weakly bound cyclic trimer (H2O)2HBr was observed in supersonic expansion and its rotational spectrum was measured in the region 3.6-17.7 GHz by cavity Fourier-transform microwave spectroscopy. Rotational, centrifugal distortion constants, and inertial and principal hyperfine splitting constants were determined for seven isotopomers of (H2O)2HBr. In addition to the large bromine hyperfine splitting each rotational transition exhibits a fine vibrational splitting into four components, at relative intensities consistent with expectations from the G8 group classification of the vibration-rotation-tunneling motions in the trimer. The associated four low-lying states are either very close together or well below the inversion barriers, since the differences between their rotational constants are all below 0.02%. The experimental moments of inertia were used to determine rs, r0, rz, and rm(1L) geometries, in all of which the heavy atom distances are considerably shorter than similar distances in H2O-HBr and (H2O)2. An improved analysis of the measured electric dipole moment of (H2O)2HBr is reported, and all experimental results are confronted with predictions from ab initio calculations.

  7. Rotational and Cyclical Variability in γ Cassiopeia

    NASA Astrophysics Data System (ADS)

    Smith, Myron A.; Henry, Gregory W.; Vishniac, Ethan

    2006-08-01

    γ Cas is an unusual classical Be star for which the optical-band and hard X-ray fluxes vary on a variety of timescales. We report results of a 9 yr monitoring effort on this star with a robotic ground-based (APT) telescope in the B, V filter system, as well as simultaneous observations in 2004 November with this instrument and the RXTE. Our observations disclosed no correlated optical response to the rapid X-ray flares in this star, nor did the star show any sustained flux changes any time during two monitored nights in either wavelength regime. Consistent with an earlier study by Robinson et al., optical light curves obtained in our new APT program revealed that γ Cas undergoes ~3% amplitude cycles with lengths of 50-91 days. Our observations in 2004 showed a similar optical cycle. Over the 9 days we monitored the star with the RXTE, the X-ray flux varied in phase with its optical cycle and with an amplitude predicted from the data in Robinson et al. In general, the amplitude of the V magnitude cycles are 30%-40% larger than the corresponding B amplitude, suggesting that the production site of the cycles is circumstellar. The cycle lengths constantly change and can damp or grow on timescales as short as 13 days. We have also discovered a coherent period of 1.21581+/-0.00004 days in all our data, which appears consistent only with rotation. The full amplitude of this variation is 0.0060 in both filters, and, surprisingly, its waveform is almost sawtooth in shape. This variation is likely to originate on the star's surface. This circumstance hints at the existence of a strong magnetic field with a complex topology and a possible heterogeneous surface distribution of metals.

  8. 3D imaging of particle-scale rotational motion in cyclically driven granular flows

    NASA Astrophysics Data System (ADS)

    Harrington, Matt; Powers, Dylan; Cooper, Eric; Losert, Wolfgang

    Recent experimental advances have enabled three-dimensional (3D) imaging of motion, structure, and failure within granular systems. 3D imaging allows researchers to directly characterize bulk behaviors that arise from particle- and meso-scale features. For instance, segregation of a bidisperse system of spheres under cyclic shear can originate from microscopic irreversibilities and the development of convective secondary flows. Rotational motion and frictional rotational coupling, meanwhile, have been less explored in such experimental 3D systems, especially under cyclic forcing. In particular, relative amounts of sliding and/or rolling between pairs of contacting grains could influence the reversibility of both trajectories, in terms of both position and orientation. In this work, we apply the Refractive Index Matched Scanning technique to a granular system that is cyclically driven and measure both translational and rotational motion of individual grains. We relate measured rotational motion to resulting shear bands and convective flows, further indicating the degree to which pairs and neighborhoods of grains collectively rotate.

  9. Cyclic fatigue resistance of newly manufactured rotary nickel titanium instruments used in different rotational directions.

    PubMed

    Gambarini, Gianlucca; Gergi, Richard; Grande, Nicola Maria; Osta, Nada; Plotino, Gianluca; Testarelli, Luca

    2013-12-01

    The aim of this study was to investigate whether cyclic fatigue resistance is increased for nickel titanium instruments manufactured with improved heating processes in clockwise or counterclockwise continuous rotation. The instruments compared were produced either using the R-phase heat treatment (K3XF; SybronEndo, Orange, CA, USA) or the M-wire alloy (ProFile Vortex; DENTSPLY Tulsa Dental Specialties, Tulsa, OK, USA). Tests were performed with a specific cyclic fatigue device that evaluated cycles to failure of rotary instruments in curved artificial canals. Results indicated no significant difference in resistance to cyclic fatigue when rotary nickel titanium instruments are used in clockwise or counterclockwise continuous rotation. In both directions of rotation, size 04-25 K3XF showed a significant increase (P < 0.05) in the mean number of cycles to failure when compared with size 04-25 ProFile Vortex. PMID:24279663

  10. Rotational and Cyclical Variability in γ Cassiopeiae. II. Fifteen Seasons

    NASA Astrophysics Data System (ADS)

    Henry, Gregory W.; Smith, Myron A.

    2012-11-01

    The B0.5 IVe star γ Cas is of great interest because it is the prototype of a small group of classical Be stars having hard X-ray emission of unknown origin. We discuss results from ongoing B and V observations of the γ Cas star-disk system acquired with an Automated Photometric Telescope during the observing seasons 1997-2011. In an earlier study, Smith, Henry, & Vishniac showed that light variations in γ Cas are dominated by a series of comparatively prominent cycles with amplitudes of 0.02-0.03 mag and lengths of 2-3 months, superimposed on a 1.21 day periodic signal some five times smaller, which they attributed to rotation. The cycle lengths clustered around 70 days, with a total range of 50-91 days. Changes in both cycle length and amplitude were observed from year to year. These authors also found the V-band cycles to be 30%-40% larger than the B-band cycles. In the present study, we find continued evidence for these variability patterns and for the bimodal distribution of the ΔB/ΔV amplitude ratios in the long cycles. During the 2010 observing season, γ Cas underwent a mass-loss event ("outburst"), as evidenced by the brightening and reddening seen in our new photometry. This episode coincided with a waning of the amplitude in the ongoing cycle. The Be outburst ended the following year, and the light-curve amplitude returned to pre-outburst levels. This behavior reinforces the interpretation that cycles arise from a global disk instability. We have determined a more precise value of the rotation period, 1.215811 ± 0.000030 days, using the longer 15-season data set and combining solutions from the V and B light curves. Remarkably, we also find that both the amplitude and the asymmetry of the rotational waveform changed over the years. We review arguments for this modulation arising from transits of a surface magnetic disturbance. Finally, to a limit of 5 mmag, we find no evidence for any photometric variation corresponding to the γ Cas binary period

  11. ROTATIONAL AND CYCLICAL VARIABILITY IN {gamma} CASSIOPEIAE. II. FIFTEEN SEASONS

    SciTech Connect

    Henry, Gregory W.; Smith, Myron A. E-mail: msmith@stsci.edu

    2012-11-20

    The B0.5 IVe star {gamma} Cas is of great interest because it is the prototype of a small group of classical Be stars having hard X-ray emission of unknown origin. We discuss results from ongoing B and V observations of the {gamma} Cas star-disk system acquired with an Automated Photometric Telescope during the observing seasons 1997-2011. In an earlier study, Smith, Henry, and Vishniac showed that light variations in {gamma} Cas are dominated by a series of comparatively prominent cycles with amplitudes of 0.02-0.03 mag and lengths of 2-3 months, superimposed on a 1.21 day periodic signal some five times smaller, which they attributed to rotation. The cycle lengths clustered around 70 days, with a total range of 50-91 days. Changes in both cycle length and amplitude were observed from year to year. These authors also found the V-band cycles to be 30%-40% larger than the B-band cycles. In the present study, we find continued evidence for these variability patterns and for the bimodal distribution of the {Delta}B/{Delta}V amplitude ratios in the long cycles. During the 2010 observing season, {gamma} Cas underwent a mass-loss event ({sup o}utburst{sup )}, as evidenced by the brightening and reddening seen in our new photometry. This episode coincided with a waning of the amplitude in the ongoing cycle. The Be outburst ended the following year, and the light-curve amplitude returned to pre-outburst levels. This behavior reinforces the interpretation that cycles arise from a global disk instability. We have determined a more precise value of the rotation period, 1.215811 {+-} 0.000030 days, using the longer 15-season data set and combining solutions from the V and B light curves. Remarkably, we also find that both the amplitude and the asymmetry of the rotational waveform changed over the years. We review arguments for this modulation arising from transits of a surface magnetic disturbance. Finally, to a limit of 5 mmag, we find no evidence for any photometric

  12. Carrier fringes and a non-conventional rotational shear in a triangular cyclic-path interferometer

    NASA Astrophysics Data System (ADS)

    Kantun-Montiel, Rosaura; Meneses-Fabian, Cruz

    2015-04-01

    This work presents a method for generating carrier fringes and a nonconventional rotational shear in a triangular cyclic-path interferometer, while simultaneously suppressing the presence of typical lateral and radial shearing. To carry out this method, a 4f optical system is implemented into the cyclic interferometer. The most important contributions of this paper are its demonstration of the linear dependence of the movable mirror displacement with the carrier frequency introduced, and the realization of a nonconventional rotational shearing interferometer. Additionally, we think that one of its possible potential applications is the observation of the angular derivative of parallel projections of a phase object placed at the output plane, generating a great advantage in edge-enhancement optical tomography. In this paper, we develop a theoretical model and show experimental results.

  13. Discovery of a large time scale cyclic evolution of radio pulsars rotational frequency.

    NASA Astrophysics Data System (ADS)

    Beskin, G.; Biryukov, A.; Karpov, S.

    2006-08-01

    The recent massive measurements of pulsar frequency second derivatives have shown that they are 100-1000 times larger than expected for standard pulsar slowdown low. Moreover, the second derivatives as well as braking indices are even negative for about half of pulsars. We explain these paradoxical results on the basis of the statistical analysis of the rotational parameters (frequency, its first and second derivatives) of the subset of 295 pulsars taken mostly from the ATNF database. We have found strong correlation of second and first frequency derivatives either for positive (correlation coefficient r~0.9) and negative (r~0.85) values of second derivative, and of the frequency and and its first derivative (r~0.7). We interpret these dependencies as evolutionary ones due to the first frequency derivative being nearly proportional to the characteristic age. The derived statistical relations as well as "anomalous" values of the second frequency derivative are well explained in the framework of the simple model of cyclic evolution of the rotational frequency of the pulsars. It combines the secular change of the rotational parameters according to the power law with braking index n~5 and harmonic oscillations of 100--1000 years period with an amplitude from 10^-3 Hz for young pulsars to 10^-10 Hz for elder ones. The physical nature of these cyclic variations of the rotational frequency may be similar to the well-known red timing noise, however, with much larger characteristic time scale.

  14. Reduced models of multi-stage cyclic structures using cyclic symmetry reduction and component mode synthesis

    NASA Astrophysics Data System (ADS)

    Tran, Duc-Minh

    2014-10-01

    Reduced models of multi-stage cyclic structures such as bladed-disk assemblies are developed by using the multi-stage cyclic symmetry reduction and/or component mode synthesis methods. The multi-stage cyclic symmetry reduction consists in writing the equations of the bladed disks, the inter-disk structures, the inter-disk constraints and the whole multi-stage coupled system in terms of the traveling wave coordinates for all the phase indexes of the reference sectors and for all the bladed disks. Several reduced coupled systems are then solved by selecting at each time only one or a few phase indexes for each bladed disk and by applying the cyclic symmetry boundary conditions. On the other hand, component mode synthesis methods are used either independently or in combination with the multi-stage cyclic symmetry reduction to obtain reduced models of the multi-stage structure. Two of them are particularly efficient, that are firstly component mode synthesis methods with interface modes applied on the bladed disks and secondly component mode synthesis methods with traveling wave coordinates applied on the reference sectors.

  15. A computer program for cyclic plasticity and structural fatigue analysis

    NASA Technical Reports Server (NTRS)

    Kalev, I.

    1980-01-01

    A computerized tool for the analysis of time independent cyclic plasticity structural response, life to crack initiation prediction, and crack growth rate prediction for metallic materials is described. Three analytical items are combined: the finite element method with its associated numerical techniques for idealization of the structural component, cyclic plasticity models for idealization of the material behavior, and damage accumulation criteria for the fatigue failure.

  16. Facet-rotated echelle grating for cyclic wavelength router with uniform loss and flat passband.

    PubMed

    Mu, Ge; Huang, Pingli; Wu, Lin; He, Jian-Jun

    2015-09-01

    A novel method for designing a cyclic echelle grating wavelength router with uniform loss and flat passband is proposed and experimentally demonstrated. A 4×4 cyclic wavelength router with a channel spacing of 400 GHz at 1550 nm wavelength band is designed and fabricated in InP. Measurement results show that the loss of 16 input-output combinations varies from 9 to 19.3 dB in a conventional design, with a nonuniformity of 10.3 dB, while the 1-dB spectral bandwidth is only 0.3 nm. By rotating angles of grating facets according to an appropriately designed distribution function, the loss nonuniformity is reduced to 1.5 dB, and a flat-top spectral response with 1 dB bandwidth of 1.0 nm is achieved simultaneously. PMID:26368691

  17. Cyclic Structural Analyses of SSME Turbine Blades

    NASA Technical Reports Server (NTRS)

    Kaufman, A.; Manderscheid, J. M.

    1985-01-01

    The problems of calculating the structural response of high-temperature space propulsion components such as turbine blades for the fuel turbopump are addressed. The first high-pressure-stage fuel turbine blade (HPFTB) in the liquid-hydrogen turbopump of the space shuttle main engine (SSME) was selected for this study. In the past these blades have cracked in the blade shank region and at the airfoil leading edge adjacent to the platform. To achieve the necessary durability, these blades are currently being cast by using directional solidification. Single-crystal alloys are also being investigated for future SSME applications. The study evaluated the utility of advanced structural analysis methods in assessing the low-cycle fatigue lives of these anisotropic components. The turbine blade airfoil of the high-pressure stage of the SSME fuel turbopump was analyzed because it has a history of rapid crack initiation.

  18. Solar cyclicity: fine structure and forecasting

    NASA Astrophysics Data System (ADS)

    Khramova, M.; Kononovich, E.; Krasotkin, S.

    2002-12-01

    The principal components of the solar activity indices time-series were obtained by the Singular Spectrum Analysis method and identified with the centennial cycle, 11-yr variation and quasi-biennial oscillations (QBO). The amplitudes of the QBO and 11-yr cycle were found to be modulated by the centennial cycle. The following properties of the centennial cycle were settled: the maximum phase has the double-peak structure; the rising part of the centennial cycle (including the first maximum) as a rule covers three solar cycles; the first and the second maximum of the centennial cycle are separated by one small or medium 11-yr cycle; the second maximum consists of just one 11-yr cycle; the fall-down part of the centennial cycle includes four 11-yr cycles. The centennial cycle was found to consists of nine 11-yr cycles and its duration was calculated to be 100±5 years. The double-peak structure was found to be an essential property of the solar cycle maximum phase. The forecast of the Wolf numbers for the solar cycle 24 was obtained.

  19. Evaluation of flawed composite structure under static and cyclic loading

    NASA Technical Reports Server (NTRS)

    Porter, T. R.

    1977-01-01

    This paper presents the results of a program investigating the effects of initial defects on the fatigue and fracture response of composite laminates. The structural laminates investigated were a typical angle-ply laminate, a polar/hoop-wound pressure vessel laminate, and a typical engine fan blade laminate. Defects investigated were full- and half-penetration circular holes, full- and half-penetration slits, and countersink holes. Results are presented showing the effects of the defect size and type on the static fracture strength, fatigue performance, and residual static strength. The results of inspection procedures are shown, describing the effect of cyclic and static loadings on damage propagation in composite laminates. The data in this study were used to define proof test levels as a qualification procedure in composite structure subjected to cyclic loading.

  20. Structure modulation driven by cyclic deformation in nanocrystalline NiFe

    SciTech Connect

    Cheng, Sheng; Wang, Xun-Li; Zhao, Yh; Wang, Yinmin; Liaw, Peter K; Lavernia, Ej

    2010-01-01

    Theoretical modeling suggests that the grain size remains unchanged during fatigue crack growth in nanocrystalline metals. Here we demonstrate that a modulated structure is generated in a nanocrystalline Ni-Fe alloy under cyclic deformation. Substantial grain coarsening and loss of growth twins are observed in the path of fatigue cracks, while the grains away from the cracks remain largely unaffected. Statistical analyses suggest that the grain coarsening is realized through the grain lattice rotation and coalescence and the loss of growth twins may be related to the detwinning process near crack tip.

  1. Segmentally structured disk triboelectric nanogenerator for harvesting rotational mechanical energy.

    PubMed

    Lin, Long; Wang, Sihong; Xie, Yannan; Jing, Qingshen; Niu, Simiao; Hu, Youfan; Wang, Zhong Lin

    2013-06-12

    We introduce an innovative design of a disk triboelectric nanogenerator (TENG) with segmental structures for harvesting rotational mechanical energy. Based on a cyclic in-plane charge separation between the segments that have distinct triboelectric polarities, the disk TENG generates electricity with unique characteristics, which have been studied by conjunction of experimental results with finite element calculations. The role played by the segmentation number is studied for maximizing output. A distinct relationship between the rotation speed and the electrical output has been thoroughly investigated, which not only shows power enhancement at high speed but also illuminates its potential application as a self-powered angular speed sensor. Owing to the nonintermittent and ultrafast rotation-induced charge transfer, the disk TENG has been demonstrated as an efficient power source for instantaneously or even continuously driving electronic devices and/or charging an energy storage unit. This work presents a novel working mode of TENGs and opens up many potential applications of nanogenerators for harvesting even large-scale energy. PMID:23656350

  2. Rotation and Structure in the Universe

    NASA Astrophysics Data System (ADS)

    Praton, Elizabeth A.

    1993-01-01

    Rotation and structure in the universe are studied in two investigations. The first investigation is a theoretical exploration of structure formation in the young universe, when localized angular momentum is present. The second investigation is an exploration of the "signature" localized large scale rotation or transverse motion might leave in observational "redshift maps" of structure in the universe. In the first investigation, analytic approximations to the virial equations of equilibrium for rotating, self -gravitating gaseous bodies are studied in the multi-equilibrium regime. Such bodies may collapse via a "phase transition" before reaching dynamical instability. The phase transition mass is calculated for a simple cosmological scenario and found to be the size of a small galaxy. The dynamical collapse mass, by contrast, is much larger and grows rapidly as the universe expands. In the second investigation, a redshift space artifact is studied which results from an "infall" field surrounding a rich galaxy cluster. In a simulation, a redshift map of an infall region shows an artificial "ring" of galaxies encircling the "finger of god" artifact produced by the simulated cluster core. When the observer has transverse motion or the infall region has rotation, the ring tilts on the finger. Redshift maps of two nearby clusters, Virgo and Fornax, are compared against the simulation. Redshift space structure surrounding Virgo shows a strong resemblence to the simulation's ring, although structure surrounding Fornax is less similar. Both Virgo's and Fornax's "rings" tilt. Taken together, the tilt directions are not consistent with a uniform translation of the rest frame. The directions are consistent with either a steep tidal shear produced by a "Great Attractor" or with rotation about each cluster.

  3. Ballistic and Cyclic Rig Testing of Braided Composite Fan Case Structures

    NASA Technical Reports Server (NTRS)

    Watson, William R.; Roberts, Gary D.; Pereira, J. Michael; Braley, Michael S.

    2015-01-01

    FAA fan blade-out certification testing on turbofan engines occurs very late in an engine's development program and is very costly. It is of utmost importance to approach the FAA Certification engine test with a high degree of confidence that the containment structure will not only contain the high-energy debris, but that it will also withstand the cyclic loads that occur with engine spooldown and continued rotation as the non-running engine maintains a low rotor RPM due to forced airflow as the engine-out aircraft returns to an airport. Accurate rig testing is needed for predicting and understanding material behavior of the fan case structure during all phases of this fan blade-out event.

  4. Structure, dynamics and implied gating mechanism of a human cyclic nucleotide-gated channel.

    PubMed

    Gofman, Yana; Schärfe, Charlotta; Marks, Debora S; Haliloglu, Turkan; Ben-Tal, Nir

    2014-12-01

    Cyclic nucleotide-gated (CNG) ion channels are nonselective cation channels, essential for visual and olfactory sensory transduction. Although the channels include voltage-sensor domains (VSDs), their conductance is thought to be independent of the membrane potential, and their gating regulated by cytosolic cyclic nucleotide-binding domains. Mutations in these channels result in severe, degenerative retinal diseases, which remain untreatable. The lack of structural information on CNG channels has prevented mechanistic understanding of disease-causing mutations, precluded structure-based drug design, and hampered in silico investigation of the gating mechanism. To address this, we built a 3D model of the cone tetrameric CNG channel, based on homology to two distinct templates with known structures: the transmembrane (TM) domain of a bacterial channel, and the cyclic nucleotide-binding domain of the mouse HCN2 channel. Since the TM-domain template had low sequence-similarity to the TM domains of the CNG channels, and to reconcile conflicts between the two templates, we developed a novel, hybrid approach, combining homology modeling with evolutionary coupling constraints. Next, we used elastic network analysis of the model structure to investigate global motions of the channel and to elucidate its gating mechanism. We found the following: (i) In the main mode of motion, the TM and cytosolic domains counter-rotated around the membrane normal. We related this motion to gating, a proposition that is supported by previous experimental data, and by comparison to the known gating mechanism of the bacterial KirBac channel. (ii) The VSDs could facilitate gating (supplementing the pore gate), explaining their presence in such 'voltage-insensitive' channels. (iii) Our elastic network model analysis of the CNGA3 channel supports a modular model of allosteric gating, according to which protein domains are quasi-independent: they can move independently, but are coupled to each

  5. Linear-cyclic polymer structural transformation and its reversible control using a rational rotaxane strategy.

    PubMed

    Ogawa, Takahiro; Usuki, Naoya; Nakazono, Kazuko; Koyama, Yasuhito; Takata, Toshikazu

    2015-04-01

    Linear-cyclic polymer structural transformation and its reversibility are demonstrated by a simple but rational strategy using the structural characteristics of crown ether-based rotaxanes. The structure of a polymer containing a [1]rotaxane unit at one end was controlled by conventional protection-deprotection reactions, giving rise to a reversible linear-cyclic polymer structural transformation. PMID:25531061

  6. Structures and Surface Properties of "Cyclic" Polyoxyethylene Alkyl Ethers: Unusual Behavior of Cyclic Surfactants in Water.

    PubMed

    Hirose, Yuki; Taira, Toshiaki; Sakai, Kenichi; Sakai, Hideki; Endo, Akira; Imura, Tomohiro

    2016-08-23

    The cyclization of amphiphiles has emerged as an attractive strategy for inducing remarkable properties in these materials without changing their chemical composition. In this study, we successfully synthesized three cyclic polyoxyethylene dodecyl ethers (c-POEC12's) with different ring sizes and explored the effects of their topology on their surface and self-assembly properties related to their function, comparing them with those of their linear counterparts (l-POEC12's). The surface activity of the c-POEC12's remained almost constant despite the change in their hydrophobic and hydrophilic balance (HLB) value, while that of the l-POEC12's decreased with an increase in the HLB value as general surfactants. In contrast to the normal micelles seen in the case of the l-POEC12's (3.4-9.7 nm), the cyclization of the POEC12's resulted in the formation of large spherical structures 72.8-256.8 nm in size. It also led to a dramatic decrease of 28 °C in the cloud point temperature. Furthermore, the cyclization of the POEC12's markedly suppressed the rate of protease hydrolysis caused by the surfactants. The initial rate of reduction of a detergent enzyme from Bacillus licheniformis was increased by more than 40% in the case of c-POE600C12 and c-POE1000C12, even though they exhibited surface activities almost equal to or higher than those of their linear counterparts. These results suggest that cyclization induces unusual aqueous behaviors in POEC12, making the surfactant milder with respect to detergent enzymes while ensuring it exhibits increased surface activity. PMID:27462805

  7. Semiclassical shell structure in rotating Fermi systems

    SciTech Connect

    Magner, A. G.; Sitdikov, A. S.; Khamzin, A. A.; Bartel, J.

    2010-06-15

    The collective moment of inertia is derived analytically within the cranking model for any rotational frequency of the harmonic-oscillator potential well and at a finite temperature. Semiclassical shell-structure components of the collective moment of inertia are obtained for any potential by using the periodic-orbit theory. We found semiclassically their relation to the free-energy shell corrections through the shell-structure components of the rigid-body moment of inertia of the statistically equilibrium rotation in terms of short periodic orbits. The shell effects in the moment of inertia exponentially disappear with increasing temperature. For the case of the harmonic-oscillator potential, one observes a perfect agreement of the semiclassical and quantum shell-structure components of the free energy and the moment of inertia for several critical bifurcation deformations and several temperatures.

  8. Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters

    SciTech Connect

    Seo, D. M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.

    2014-11-13

    Only limited information is available regarding the manner in which cyclic carbonate and ester solvents coordinate Li+ cations in electrolyte solutions for lithium batteries. One approach to gleaning significant insight into these interactions is to examine crystalline solvate structures. To this end, eight new solvate structures are reported with ethylene carbonate, γ-butyrolactone and γ-valerolactone: (EC)3:LiClO4, (EC)2:LiClO4, (EC)2:LiBF4, (GBL)4:LiPF6, (GBL)1:LiClO4, (GVL)1:LiClO4, (GBL)1:LiBF4 and (GBL)1:LiCF3SO3. The crystal structure of (EC)1:LiCF3SO3 is also re-reported for comparison. These structures enable the factors which govern the manner in which the ions are coordinated and the ion/solvent packing—in the solid-state—to be scrutinized in detail.

  9. STRUCTURE IN THE ROTATION MEASURE SKY

    SciTech Connect

    Stil, J. M.; Taylor, A. R.; Sunstrum, C.

    2011-01-01

    An analysis of structure in rotation measure (RM) across the sky based on the RM catalog of Taylor et al. is presented. Several resolved RM structures are identified with structure in the local interstellar medium, including radio loops I, II, and III, the Gum nebula, and the Orion-Eridanus superbubble. Structure functions (SFs) of RM are presented for selected areas, and maps of SF amplitude and slope across the sky are compared with H{alpha} intensity and diffuse polarized intensity. RM variance on an angular scale of 1{sup 0} is correlated with length of the line of sight through the Galaxy, with a contribution from local structures. The slope of the SFs is less concentrated to the Galactic plane and less correlated with length of the line of sight through the Galaxy, suggesting a more local origin for RM structure on angular scales {approx}10{sup 0}. The RM variance is a factor of {approx}2 higher toward the South Galactic Pole than toward the North Galactic Pole, reflecting a more wide-spread asymmetry between the northern and southern Galactic hemispheres. Depolarization of diffuse Galactic synchrotron emission at latitudes <30{sup 0} can be explained largely by Faraday dispersion related to small-scale variance in RM, but the errors allow a significant contribution from differential Faraday rotation along the line of sight.

  10. Structural Information from Methyl Internal Rotation Spectroscopy

    NASA Astrophysics Data System (ADS)

    Spangler, Lee H.

    1997-10-01

    The fundamental quantum mechanics, group theory, and spectroscopy of methyl torsional structure accompanying electronic transitions is presented. The origin of barriers to internal rotation and the interaction of the methyl with the pi system via hyperconjugation are discussed. Because of the relationship between the methyl barrier and the pi system, measurement of the CH3 properties provides structural information about the molecule. In para'-substituted p-methyl-t-stilbenes, barriers in the S1 state show a strong dependence on the substituent, substituent conformation, and involvement of the substituent in hydrogen bonding interaction. The methyl torsional barrier reflects these changes despite the distance of the substitution site, 10 atoms away.

  11. Flow structure on a rotating plate

    NASA Astrophysics Data System (ADS)

    Ozen, C. A.; Rockwell, D.

    2012-01-01

    The flow structure on a rotating plate of low aspect ratio is characterized well after the onset of motion, such that transient effects are not significant, and only centripetal and Coriolis accelerations are present. Patterns of vorticity, velocity contours, and streamline topology are determined via quantitative imaging, in order to characterize the leading-edge vortex in relation to the overall flow structure. A stable leading-edge vortex is maintained over effective angles of attack from 30° to 75°, and at each angle of attack, its sectional structure at midspan is relatively insensitive to Reynolds number over the range from 3,600 to 14,500. The streamline topology, vorticity distribution, and circulation of the leading-edge vortex are determined as a function of angle of attack, and related to the velocity field oriented toward, and extending along, the leeward surface of the plate. The structure of the leading-edge vortex is classified into basic regimes along the span of the plate. Images of these regimes are complemented by patterns on crossflow planes, which indicate the influence of root and tip swirl, and spanwise flow along the leeward surface of the plate. Comparison with the equivalent of the purely translating plate, which does not induce the foregoing flow structure, further clarifies the effects of rotation.

  12. Simplified cyclic structural analyses of SSME turbine blades

    NASA Technical Reports Server (NTRS)

    Kaufman, A.; Manderscheid, J. M.

    1986-01-01

    Anisotropic high-temperature alloys are used to meet the safety and durability requirements of turbine blades for high-pressure turbopumps in reusable space propulsion systems. The applicability to anisotropic components of a simplified inelastic structural analysis procedure developed at the NASA Lewis Research Center is assessed. The procedure uses as input the history of the total strain at the critical crack initiation location computed from elastic finite-element analyses. Cyclic heat transfer and structural analyses are performed for the first stage high-pressure fuel turbopump blade of the space shuttle main engine. The blade alloy is directionally solidified MAR-M 246 (nickel base). The analyses are based on a typical test stand engine cycle. Stress-strain histories for the airfoil critical location are computed using both the MARC nonlinear finite-element computer code and the simplified procedure. Additional cases are analyzed in which the material yield strength is arbitrarily reduced to increase the plastic strains and, therefore, the severity of the problem. Good agreement is shown between the predicted stress-strain solutions from the two methods. The simplified analysis uses about 0.02 percent (5 percent with the required elastic finite-element analyses) of the CPU time used by the nonlinear finite element analysis.

  13. Vibrations of structures with cyclic symmetry: Application to the case of turbine engines

    NASA Astrophysics Data System (ADS)

    Meziere, Ludovic

    1994-03-01

    A great number of gas turbine components gives cyclic symmetry properties which may be useful to analyze such parts. The resonance occurrences are numerous because of the different harmonics of the rotational speed. Shift phase characteristics between each periodic sector can be easily used to represent the complex system forces made of air flow distortions for instance. The aerodynamical forces are transmitted to the structure mainly by the blades. From this point, we note under some stationary pressure deviations, fixed in the space reference, that the airfoil undergoes pressure fluctuations during its revolution cycle. This stationary phenomena is periodic in the blade reference. It shows a forward or backward wave propagation whose frequency is determined within each frame. A couple of eigen modes, except under some particular conditions, can be found using cyclic symmetry conditions at exactly the same eigen value. The linear combination of both modes are used to analyze the wave propagation. Resonance conditions are shown in this paper and an assessment of an excitability factor has been introduced to reckon the potentially dangerous modes. This method is applied on a modal analysis of an impeller of a gas turbine engine designed by TURBOMECA. This step is pre-requisite to a complete simulation of dynamic responses incorporating dissipative functions and the aeroelastic coupling which mainly governs such a vibration phenomena.

  14. Rotational Band Structure in 32Mg

    NASA Astrophysics Data System (ADS)

    Crawford, Heather; NSCL E11029 Collaboration Team

    2016-03-01

    There is significant evidence supporting the existence of deformed ground states within the neutron-rich N =20 neon, sodium, and magnesium isotopes that make up what is commonly called the ``Island of Inversion''. However, rotational band structures, a characteristic fingerprint of a rigid non-spherical shape, have yet to be observed. We report on a measurement and analysis of the yrast (lowest lying) rotational band in 32Mg up to spin I = 6+, produced in a two-step projectile fragmentation reaction and observed using the state-of-the-art γ-ray tracking detector array, GRETINA. Large-scale shell model calculations using the SDPF-U-MIX effective interaction show excellent agreement with the new data. Moreover, a theoretical analysis of the spectrum of rotational states as a function of the pairing gap, together with cranked shell model calculations, provides intriguing evidence for a reduction in pairing correlations with increased angular momentum, also in line with the shell-model results. This material is based upon work supported by the U.S. DOE, Office of Science, NP Office under Contract No. DE-AC02-05CH11231 (LBNL). GRETINA was funded by the U.S. DOE Office of Science. Operation of the array at NSCL was supported by NSF.

  15. Rotational band structure in 32Mg

    NASA Astrophysics Data System (ADS)

    Crawford, H. L.; Fallon, P.; Macchiavelli, A. O.; Poves, A.; Bader, V. M.; Bazin, D.; Bowry, M.; Campbell, C. M.; Carpenter, M. P.; Clark, R. M.; Cromaz, M.; Gade, A.; Ideguchi, E.; Iwasaki, H.; Langer, C.; Lee, I. Y.; Loelius, C.; Lunderberg, E.; Morse, C.; Richard, A. L.; Rissanen, J.; Smalley, D.; Stroberg, S. R.; Weisshaar, D.; Whitmore, K.; Wiens, A.; Williams, S. J.; Wimmer, K.; Yamamato, T.

    2016-03-01

    There is significant evidence supporting the existence of deformed ground states within the neutron-rich N ≈20 neon, sodium, and magnesium isotopes that make up what is commonly called the "island of inversion." However, the rotational band structures, which are a characteristic fingerprint of a rigid nonspherical shape, have yet to be observed. In this work, we report on a measurement and analysis of the yrast (lowest lying) rotational band in 32Mg up to spin I =6+ produced in a two-step projectile fragmentation reaction and observed using the state-of-the-art γ -ray tracking detector array, GRETINA (γ -ray energy tracking in-beam nuclear array). Large-scale shell-model calculations using the SDPF-U-MIX effective interaction show excellent agreement with the new data. Moreover, a theoretical analysis of the spectrum of rotational states as a function of the pairing gap, together with cranked-shell-model calculations, provides intriguing evidence for a reduction in pairing correlations with increased angular momentum, also in line with the shell-model results.

  16. Magnetospheric structure of rotation powered pulsars

    SciTech Connect

    Arons, J. California Univ., Livermore, CA . Inst. of Geophysics and Planetary Physics)

    1991-01-07

    I survey recent theoretical work on the structure of the magnetospheres of rotation powered pulsars, within the observational constraints set by their observed spindown, their ability to power synchrotron nebulae and their ability to produce beamed collective radio emission, while putting only a small fraction of their energy into incoherent X- and gamma radiation. I find no single theory has yet given a consistent description of the magnetosphere, but I conclude that models based on a dense outflow of pairs from the polar caps, permeated by a lower density flow of heavy ions, are the most promising avenue for future research. 106 refs., 4 figs., 2 tabs.

  17. Synthesis and Structure of Cyclic Trisaccharide with Expanded Glycosidic Linkages.

    PubMed

    Maiti, Krishnagopal; Jayaraman, Narayanaswamy

    2016-06-01

    A new cyclic trisaccharide is synthesized by cycloglycosylation of a linear trisaccharide, modified with hydroxymethyl moiety at C4 of glucopyranose moiety. The cyclic trisaccharide possesses a rarely observed perfect trigonal symmetry in the P3 space group, in a narrow cone shape, and a brick-wall type arrangement of molecules in the solid state, and exhibits a significantly enhanced binding affinity to 1-aminoadamantane in aqueous solution. PMID:27182797

  18. Membrane protein structure from rotational diffusion☆

    PubMed Central

    Das, Bibhuti B.; Park, Sang Ho; Opella, Stanley J.

    2014-01-01

    The motional averaging of powder pattern line shapes is one of the most fundamental aspects of sold-state NMR. Since membrane proteins in liquid crystalline phospholipid bilayers undergo fast rotational diffusion, all of the signals reflect the angles of the principal axes of their dipole–dipole and chemical shift tensors with respect to the axis defined by the bilayer normal. The frequency span and sign of the axially symmetric powder patterns that result from motional averaging about a common axis provide sufficient structural restraints for the calculation of the three-dimensional structure of a membrane protein in a phospholipid bilayer environment. The method is referred to as rotationally aligned (RA) solid-state NMR and demonstrated with results on full-length, unmodified membrane proteins with one, two, and seven trans-membrane helices. RA solid-state NMR is complementary to other solid-state NMR methods, in particular oriented sample (OS) solid-state NMR of stationary, aligned samples. Structural distortions of membrane proteins from the truncations of terminal residues and other sequence modifications, and the use of detergent micelles instead of phospholipid bilayers have also been demonstrated. Thus, it is highly advantageous to determine the structures of unmodified membrane proteins in liquid crystalline phospholipid bilayers under physiological conditions. RA solid-state NMR provides a general method for obtaining accurate and precise structures of membrane proteins under near-native conditions. This article is part of a Special Issue entitled: NMR Spectroscopy for Atomistic Views of Biomembranes and Cell Surfaces. PMID:24747039

  19. SIMPLIMAX: Oblique Rotation to an Optimal Target with Simple Structure.

    ERIC Educational Resources Information Center

    Kiers, Henk A. L.

    1994-01-01

    A class of oblique rotation procedures is proposed to rotate a pattern matrix so that it optimally resembles a matrix that has an exact simple pattern. It is demonstrated that the method can recover relatively complex simple structures where other simple structure rotation techniques fail. (SLD)

  20. Structural information from methyl internal rotation spectroscopy.

    PubMed

    Spangler, L H

    1997-01-01

    The fundamental quantum mechanics, group theory, and spectroscopy of methyl torsional structure accompanying electronic transitions is presented. The origin of barriers to internal rotation and the interaction of the methyl with the pi system via hyperconjugation are discussed. Because of the relationship between the methyl barrier and the pi system, measurement of the CH3 properties provides structural information about the molecule. In para'-substituted p-methyl-t-stilbenes, barriers in the S1 state show a strong dependence on the substituent, substituent conformation, and involvement of the substituent in hydrogen bonding interaction. The methyl torsional barrier reflects these changes despite the distance of the substitution site, 10 atoms away. PMID:15012450

  1. COMPUTER-ASSISTED STRUCTURE ACTIVITY RELATIONSHIPS OF NITROGENOUS CYCLIC COMPOUNDS TESTED IN SALMONELLA ASSAYS FOR MUTAGENICITY

    EPA Science Inventory

    Study of the relationship between mutagenicity and molecular structure for a data set of nitrogenous cyclic compounds is reported. A computerized SAR system (ADAPT) was utilized to classify a data set of 114 nitrogenous cyclic compounds with 19 molecular descriptors. All of the d...

  2. Structure of fenchone by broadband rotational spectroscopy.

    PubMed

    Loru, Donatella; Bermúdez, Miguel A; Sanz, M Eugenia

    2016-08-21

    The bicyclic terpenoid fenchone (C10H16O, 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one) has been investigated by chirped pulse Fourier transform microwave spectroscopy in the 2-8 GHz frequency region. The parent species and all heavy atom isotopologues have been observed in their natural abundance. The experimental rotational constants of all isotopic species observed have been determined and used to obtain the substitution (rs) and effective (r0) structures of fenchone. Calculations at the B3LYP, M06-2X, and MP2 levels of theory with different basis sets were carried out to check their performance against experimental results. The structure of fenchone has been compared with those of norbornane (bicyclo[2.2.1]heptane) and the norbornane derivatives camphor (1,7,7-trimethylbicyclo[2.2.1]heptan-2-one) and camphene (3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane), both with substituents at C2. The structure of fenchone is remarkably similar to those of camphor and camphene. Comparison with camphor allows identification of changes in ∠CCC angles due to the different position of the methyl groups. All norbornane derivatives display similar structural changes with respect to norbornane. These changes mainly affect the bond lengths and angles of the six-membered rings, indicating that the substituent at C2 drives structural adjustments to minimise ring strain after its introduction. PMID:27544109

  3. Enhanced biological denitrification in the cyclic rotating bed reactor with catechol as carbon source.

    PubMed

    Moussavi, Gholamreza; Jafari, Seyed Javad; Yaghmaeian, Kamyar

    2015-08-01

    The performance of CRBR in denitrification with catechol carbon source is presented. The influence of inlet nitrate concentration, hydraulic retention time (HRT), media filling ratio and rotational speed of media on the performance of CRBR was investigated. The bioreactor could denitrify over 95% of the nitrate at an inlet concentration up to 1000 mg NO3(-)/L and a short HRT as low as 18 h. The optimum media filling ratio at which the maximum denitrification was achieved in the CRBR was 30% and the contribution of media at this condition was around 36%. The optimum ratio of media filling at which the maximum denitrification was 20 rpm and the contribution of rotational speed under this condition was around 17%. According to the findings, the CRBR is a high rate bioreactor and thus serves as an appropriate technology for denitrification of wastewaters containing a high concentration of nitrate and toxic organic compounds. PMID:25898088

  4. Solution structure of a designed cyclic peptide ligand for nickel and copper ions

    PubMed Central

    Eshelman, Matthew R.; Aldous, Amanda R.; Neupane, Kosh P.; Kritzer, Joshua A.

    2014-01-01

    Nuclear magnetic resonance (NMR) spectroscopy was used to study a cyclic peptide derived from the amino-terminal copper-and-nickel-binding (ATCUN) motif. The three-dimensional structure of the unliganded peptide in aqueous solution was solved by simulated annealing using distance constraints derived from Nuclear Overhauser Effects. A structural model for the Ni(II)-bound complex was also produced based on NMR evidence and prior spectroscopic data, which are consistent with crystal structures of linear ATCUN complexes. Structural interpolation, or “morphing,” was used to understand the transition of this highly structured cyclic peptide from its unliganded structure to its metal-ion-bound structure. PMID:25414527

  5. Examination of the cyclic strength of structural cermet materials

    SciTech Connect

    Sereda, N.N.; Gerikhanov, A.K.; Koval'chenko, M.S.; Pedanov, L.G.; Tsyban, V.A.

    1986-11-01

    The authors examined the cyclic strength of cermets based on titanium and tungsten carbides. The first material is represented by three modifications: KTS-1N, KTSL-1 and KTNKH-70, whereas the second material is represented by a single modification, VK-15. Calculations were carried out using the simplified equation of the transverse oscillations without taking into account the inertia forces of the cross section under the effect of the transverse force on deflection. Comparison of the results of the tests on VK-15 cermet and the three titanium carbide alloys showed that the former has high fatigue failure resistance at all the lives.

  6. The structure of cyclic nucleoside phosphonate ester prodrugs: an inquiry

    PubMed Central

    Krylov, Ivan S.; Zakharova, Valeria M.; Serpi, Michaela; Haiges, Ralf; Kashemirov, Boris A.; McKenna, Charles E.

    2011-01-01

    The configuration at phosphorus in cyclic (S)-HPMPC (1, Cidofovir) and (S)-HPMPA (2) phenyl ester (5 and 6, respectively) diastereomers ((Rp)-5, (Rp)-6, (Sp)-6) were determined by X-ray crystallography and correlated to their 1H and 31P NMR spectra in solution. (Rp)-5 and (Rp)-6 have chair conformations with the nucleobase substituent equatorial and the P-OPh axial. Perhaps surprisingly, (Sp)-6 is (a, a) in the crystal and exists largely as an equilibrium of (a, a)/ (e, e) conformers in chloroform or acetonitrile. PMID:22126969

  7. Interactions between tetrathiafulvalene units in dimeric structures - the influence of cyclic cores.

    PubMed

    Jiang, Huixin; Mazzanti, Virginia; Parker, Christian R; Broman, Søren Lindbæk; Wallberg, Jens Heide; Lušpai, Karol; Brincko, Adam; Kjaergaard, Henrik G; Kadziola, Anders; Rapta, Peter; Hammerich, Ole; Nielsen, Mogens Brøndsted

    2015-01-01

    A selection of cyclic and acyclic acetylenic scaffolds bearing two tetrathiafulvalene (TTF) units was prepared by different metal-catalyzed coupling reactions. The bridge separating the two TTF units was systematically changed from linearly conjugated ethyne, butadiyne and tetraethynylethene (trans-substituted) units to a cross-conjugated tetraethynylethene unit, placed in either acyclic or cyclic arrangements. The cyclic structures correspond to so-called radiaannulenes having both endo- and exocyclic double bonds. Interactions between two redox-active TTF units in these molecules were investigated by cyclic voltammetry, UV-vis-NIR and EPR absorption spectroscopical methods of the electrochemically generated oxidized species. The electron-accepting properties of the acetylenic cores were also investigated electrochemically. PMID:26124895

  8. Active longitudes: Structure, dynamics, and rotation

    NASA Astrophysics Data System (ADS)

    Ivanov, E. V.

    Greenwich data for 1879-2005 (cycles 12-23) are used to study the longitude distribution of sunspot group areas summed over a Carrington rotation s(CR) separately in the southern and northern hemispheres. The zones of active longitudes (AL) are identified, and their behaviour (location, shift, and intensity variations) is analyzed over the time interval under consideration. In particular, we have studied the active longitudes in two reference frames corresponding to the rotation periods T = 27.2753 and T = 27.00 days. The AL zones are shown to consist of a set of individual narrow sunspot formation zones rotating rigidly with the Carrington period T ˜ 27.2753 days. The lifetime of the sunspot formation zones exceeds significantly that of individual sunspots and may reach 15-20 rotations. Besides the rigidly rotating active longitudes we have revealed the active longitudes that migrate in the Carrington reference frame at different (greater and smaller than Carrington) angular velocities. Quasi-biennial oscillations (QBO) of the total sunspot areas in the northern and southern longitudinal sectors corresponding to AL zones are studied for the period 1879-2004 using the spectral and correlation analysis methods. The relationships between the antipodal, symmetric about the equator, and adjoining AL zones are analyzed.

  9. Structural basis for cyclic terpene biosynthesis by tobacco 5-epi-aristolochene synthase

    SciTech Connect

    Starks, C.M.; Noel, J.P. |; Back, K.; Chappell, J.

    1997-09-19

    Terpene cyclases catalyze the synthesis of cyclic terpenes with 10-, 15-, and 20-carbon acyclic isoprenoid diphosphates as substrates. Plants have been a source of there natural products by providing a homologous set of terpene synthases. The crystal structures of 5-epi-aristolochene synthase, a sesquiterpene cyclase from tobacco, alone and complexed separately with two farnesyl diposphate analogs were analyzed. These structures reveal an unexpected enzymatic mechanism for the synthesis of the bicyclic product, 5-epi-aristolochene, and provide a basis for understanding the stereochemical selectivity displayed by other cyclases in the biosynthesis of pharmacologically important cyclic terpenes. As such, these structures provide templates for the engineering of novel terpene cyclases.

  10. Automated shell theory for rotating structures (ASTROS)

    NASA Technical Reports Server (NTRS)

    Foster, B. J.; Thomas, J. M.

    1971-01-01

    A computer program for analyzing axisymmetric shells with inertial forces caused by rotation about the shell axis is developed by revising the STARS II shell program. The basic capabilities of the STARS II shell program, such as the treatment of the branched shells, stiffened wall construction, and thermal gradients, are retained.

  11. Equilibrium Structures of Differentially Rotating Primary Components of Binary Stars

    NASA Astrophysics Data System (ADS)

    Mohan, C.; Lal, A. K.; Singh, V. P.

    1997-11-01

    In this paper a method is proposed for computing the equilibrium structures and various other observable physical parameters of the primary components of stars in binary systems assuming that the primary is more massive than the secondary and is rotating differentially about its axis. Kippenhahn and Thomas averaging approach (1970) is used in a manner earlier used by Mohan, Saxena and Agarwal (1990) to incorporate the rotational and tidal effects in the equations of stellar structure. Explicit expressions for the distortional terms appearing in the stellar structure equations have been obtained by assuming a general law of differential rotation of the typeω2 = b 0+b 1 s 2+b 2 s 4, where ω is the angular velocity of rotation of a fluid element in the star at a distance s from the axis of rotation, and b 0, b 1, b 2 are suitably chosen numerical constants. The expressions incorporate the effects of differential rotation and tidal distortions up to second order terms. The use of the proposed method has been illustrated by applying it to obtain the structures and observable parameters of certain differentially rotating primary components of the binary stars assuming the primary components to have polytropic structures.

  12. Rotational structures in {sup 107}Ag

    SciTech Connect

    Espinoza-Quinones, F.R.; Cybulska, E.W.; Oliveira, J.R.; Ribas, R.V.; Medina, N.H.; Rao, M.N.; Rizzutto, M.A.; Emediato, L.G.; Seale, W.A.; Botelho, S.

    1997-03-01

    The {sup 107}Ag nucleus has been investigated with the {sup 100}Mo({sup 11}B,4n{gamma}) reaction at 39 MeV beam energy. Gamma-gamma coincidences and angular correlations were measured. The ground state band has been extended to higher spins and a three-quasiparticle rotational band has been established. The results were interpreted within the cranked shell model and total Routhian surface predictions. {copyright} {ital 1997} {ital The American Physical Society}

  13. Turbulent rotating plane Couette flow: Reynolds and rotation number dependency of flow structure and momentum transport

    NASA Astrophysics Data System (ADS)

    Kawata, Takuya; Alfredsson, P. Henrik

    2016-07-01

    Plane Couette flow under spanwise, anticyclonic system rotation [rotating plane Couette flow (RPCF)] is studied experimentally using stereoscopic particle image velocimetry for different Reynolds and rotation numbers in the fully turbulent regime. Similar to the laminar regime, the turbulent flow in RPCF is characterized by roll cells, however both instantaneous snapshots of the velocity field and space correlations show that the roll cell structure varies with the rotation number. All three velocity components are measured and both the mean flow and all four nonzero Reynolds stresses are obtained across the central parts of the channel. This also allows us to determine the wall shear stress from the viscous stress and the Reynolds stress in the center of the channel, and for low rotation rates the wall shear stress increases with increasing rotation rate as expected. The results show that zero absolute vorticity is established in the central parts of the channel of turbulent RPCF for high enough rotation rates, but also that the mean velocity profile for certain parameter ranges shows an S shape giving rise to a negative velocity gradient in the center of the channel. We find that from an analysis of the Reynolds stress transport equation using the present data there is a transport of the Reynolds shear stress towards the center of the channel, which may then result in a negative mean velocity gradient there.

  14. Three dimensional dynamics of rotating structures under mixed boundary conditions

    NASA Astrophysics Data System (ADS)

    Bediz, Bekir; Romero, L. A.; Ozdoganlar, O. Burak

    2015-12-01

    This paper presents the spectral-Tchebychev (ST) technique for solution of three dimensional (3D) dynamics of rotating structures. In particular, structures that exhibit coupled dynamic response require a 3D modeling approach to capture their dynamic behavior. Rotational motions further complicate this behavior, inducing coriolis, centrifugal softening, and (nonlinear) stress-stiffening effects. Therefore, a 3D solution approach is needed to accurately capture the rotational dynamics. The presented 3D-ST technique provides a fast-converging and precise solution approach for rotational dynamics of structures with complex geometries and mixed boundary conditions. Specifically, unlike finite elements techniques, the presented technique uses a series expansion approach considering distributed-parameter system equations: The integral boundary value problem for rotating structures is discretized using the spectral-Tchebychev approach. To simplify the domain of the structures, cross-sectional and rotational transformations are applied to problems with curved cross-section and pretwisted geometry. The nonlinear terms included in the integral boundary value problem are linearized around an equilibrium solution using the quasi-static method. As a result, mass, damping, and stiffness matrices, as well as a forcing vector, are obtained for a given rotating structure. Several case studies are then performed to demonstrate the application and effectiveness of the 3D-ST solution. For each problem, the natural frequencies and modes shapes from the 3D-ST solution are compared to those from the literature (when available) and to those from a commercial finite elements software. The case studies include rotating/spinning parallelepipeds under free and mixed boundary conditions, and a cantilevered pretwisted beam (i.e., rotating blade) with an airfoil geometry rotating on a hub. It is seen that the natural frequencies and mode shapes from the 3D-ST technique differ from those from the

  15. Molecular structure, linear and nonlinear optical properties of some cyclic phosphazenes: A theoretical investigation

    NASA Astrophysics Data System (ADS)

    Hadji, Djebar; Rahmouni, Ali

    2016-02-01

    We report ab initio and density functional theory calculations of structural data, dipole moment, diagonal vibrational and electronic contributions to polarizability, vibrational and electronic contributions to first hyperpolarizability of some cyclic phosphazenes. The electronic structure of substituted cyclic phosphazenes has been investigated using Hartree-Fock and density functional theory. The vibrational and electronic contributions to polarizabilities and first hyperpolarizability of these molecules were calculated with HF method, and different DFT levels used the traditional B3LYP and PBE functional and the long-range corrected functional like Coulomb-attenuating method CAM-B3LYP, LC-BLYP and wB97XD used different basis sets. These cyclic phosphazenes adopts a planar structure. The chosen level of theory was found to describe satisfactory the molecular structure (r. m. s. of the relative deviations). The study reveals that the cyclic phosphazenes derivatives have large vibrational contribution to static first hyperpolarizability values. The results obtained from this work will provide into the electronic properties of this important class of inorganic polymers.

  16. Rotational order–disorder structure of fluorescent protein FP480

    SciTech Connect

    Pletnev, Sergei; Morozova, Kateryna S.; Verkhusha, Vladislav V.; Dauter, Zbigniew

    2009-09-01

    An analysis of the rotational order–disorder structure of fluorescent protein FP480 is presented. In the last decade, advances in instrumentation and software development have made crystallography a powerful tool in structural biology. Using this method, structural information can now be acquired from pathological crystals that would have been abandoned in earlier times. In this paper, the order–disorder (OD) structure of fluorescent protein FP480 is discussed. The structure is composed of tetramers with 222 symmetry incorporated into the lattice in two different ways, namely rotated 90° with respect to each other around the crystal c axis, with tetramer axes coincident with crystallographic twofold axes. The random distribution of alternatively oriented tetramers in the crystal creates a rotational OD structure with statistically averaged I422 symmetry, although the presence of very weak and diffuse additional reflections suggests that the randomness is only approximate.

  17. Vector Majorization Technique for Rotation to a Specified Simple Structure.

    ERIC Educational Resources Information Center

    Trendafilov, Nickolay T.

    In the technique developed by K. G. Joreskog to solve the problem for oblique rotation to a specified simple structure, the basic concept is that the simple structure solution itself is determined only by the zero coefficients of the reference-structure matrix and not by the coefficients of non-zero magnitude. Following this, prior information…

  18. Estimation of Cyclic Interstory Drift Capacity of Steel Framed Structures and Future Applications for Seismic Design

    PubMed Central

    Bojórquez, Edén; Reyes-Salazar, Alfredo; Ruiz, Sonia E.; Terán-Gilmore, Amador

    2014-01-01

    Several studies have been devoted to calibrate damage indices for steel and reinforced concrete members with the purpose of overcoming some of the shortcomings of the parameters currently used during seismic design. Nevertheless, there is a challenge to study and calibrate the use of such indices for the practical structural evaluation of complex structures. In this paper, an energy-based damage model for multidegree-of-freedom (MDOF) steel framed structures that accounts explicitly for the effects of cumulative plastic deformation demands is used to estimate the cyclic drift capacity of steel structures. To achieve this, seismic hazard curves are used to discuss the limitations of the maximum interstory drift demand as a performance parameter to achieve adequate damage control. Then the concept of cyclic drift capacity, which incorporates information of the influence of cumulative plastic deformation demands, is introduced as an alternative for future applications of seismic design of structures subjected to long duration ground motions. PMID:25089288

  19. Estimation of cyclic interstory drift capacity of steel framed structures and future applications for seismic design.

    PubMed

    Bojórquez, Edén; Reyes-Salazar, Alfredo; Ruiz, Sonia E; Terán-Gilmore, Amador

    2014-01-01

    Several studies have been devoted to calibrate damage indices for steel and reinforced concrete members with the purpose of overcoming some of the shortcomings of the parameters currently used during seismic design. Nevertheless, there is a challenge to study and calibrate the use of such indices for the practical structural evaluation of complex structures. In this paper, an energy-based damage model for multidegree-of-freedom (MDOF) steel framed structures that accounts explicitly for the effects of cumulative plastic deformation demands is used to estimate the cyclic drift capacity of steel structures. To achieve this, seismic hazard curves are used to discuss the limitations of the maximum interstory drift demand as a performance parameter to achieve adequate damage control. Then the concept of cyclic drift capacity, which incorporates information of the influence of cumulative plastic deformation demands, is introduced as an alternative for future applications of seismic design of structures subjected to long duration ground motions. PMID:25089288

  20. Numerical analysis of free vibrations of damped rotating structures

    NASA Technical Reports Server (NTRS)

    Gupta, K. K.

    1977-01-01

    This paper is concerned with the efficient numerical solution of damped and undamped free vibration problems of rotating structures. While structural discretization is achieved by the finite element method, the associated eigenproblem solution is effected by a combined Sturm sequence and inverse iteration technique that enables the computation of a few required roots only without having to compute any other. For structures of complex configurations, a modal synthesis technique is also presented, which is based on appropriate combinations of eigenproblem solution of various structural components. Such numerical procedures are general in nature, which fully exploit matrix sparsity inherent in finite element discretizations, and prove to be most efficient for the vibration analysis of any damped rotating structure, such as rotating machineries, helicopter and turbine blades, spinning space stations, among others.

  1. Development of a simplified procedure for cyclic structural analysis

    NASA Technical Reports Server (NTRS)

    Kaufman, A.

    1984-01-01

    Development was extended of a simplified inelastic analysis computer program (ANSYMP) for predicting the stress-strain history at the critical location of a thermomechanically cycled structure from an elastic solution. The program uses an iterative and incremental procedure to estimate the plastic strains from the material stress-strain properties and a plasticity hardening model. Creep effects can be calculated on the basis of stress relaxation at constant strain, creep at constant stress, or a combination of stress relaxation and creep accumulation. The simplified method was exercised on a number of problems involving uniaxial and multiaxial loading, isothermal and nonisothermal conditions, dwell times at various points in the cycles, different materials, and kinematic hardening. Good agreement was found between these analytical results and nonlinear finite-element solutions for these problems. The simplified analysis program used less than 1 percent of the CPU time required for a nonlinear finite-element analysis.

  2. Nuclear structure in the dinuclear model with rotating clusters

    SciTech Connect

    Adamian, G. G.; Antonenko, N. V.; Jolos, R. V.; Palchikov, Yu. V.; Shneidman, T. M.; Scheid, W.

    2007-08-15

    The dinuclear-system model can be applied to nuclear structure. Here, we study deformed clusters which rotate with respect to the internuclear distance and exchange nucleons. The model can be used to explain the band structure of nuclear spectra, especially the parity splitting observed in actinides, e.g., in {sup 238}U.

  3. Multilayer cyclic C{sub 6} structures intercalated with metal atoms

    SciTech Connect

    Kuzmin, Stanislav; Duley, Walter W.

    2011-02-15

    A new type of tubular inorganic metal-carbon sandwich molecule based on cyclic C{sub 6} is proposed. These consist of multiple layers of cyclic C{sub 6} with intercalated metal atoms. Structures and electronic properties of these molecules have been calculated using first-principles density functional techniques. We have evaluated all metals in the first six periods of the periodic table, except for the lanthanides, as possible components of such molecules. Our calculations show high bond energy and small energy gaps in many of these structures. We suggest that the high structural stability and high conductivity in these sandwich compounds make them very promising for use in nanoelectronic applications.

  4. Structural effects of three-dimensional angle-interlock woven composite undergoing bending cyclic loading

    NASA Astrophysics Data System (ADS)

    Jin, LiMin; Yao, Yao; Yu, YiMin; Rotich, Gideon; Sun, BaoZhong; Gu, BoHong

    2014-03-01

    This paper reports the structural effects of three-dimensional (3-D) angle-interlock woven composite (3DAWC) undergoing three-point bending cyclic loading from experimental and finite element analysis (FEA) approaches. In experiment, the fatigue tests were conducted to measure the bending deflection and to observe the damage morphologies. By the FEA approach, a micro-structural unit-cell model of the 3DAWC was established at the yarn level to simulate the fatigue damage. The stress degradation at the loading condition of constant deformation amplitude was calculated to show the degradation of mechanical properties. In addition, the stress distribution, fatigue damage evolution and critical damage regions were also obtained to qualitatively reveal the structural effects and damage mechanisms of the 3DAWC subjected to three-point bending cyclic loading.

  5. 18-Membered cyclic esters derived from glycolide and lactide: preparations, structures and coordination to sodium ions

    SciTech Connect

    Chisholm, Malcolm H.; Gallucci, Judith C.; Yin, Hongfeng

    2008-06-30

    From reactions between glycolide or lactide (4 equiv.) with 4-dimethylaminopyridine, DMAP (1 equiv.) and NaBPh4 (1 equiv.) in benzene at 70 C the cyclic ester adducts (CH{sub 2}C(O)O){sub 6}NaBPh{sub 4} and (CHMeC(O)O){sub 6}NaBPh{sub 4} are formed respectively. The structures of the salts Na[(S,R,S,R,S,R)-(CH{sub 3}CHC(O)O){sub 6}]{sub 2}BPh{sub 4} {center_dot} CH{sub 3}CN and (CH{sub 2}C(O)O){sub 6}NaBPh{sub 4} {center_dot} (CH{sub 3}CN){sub 2} are reported. The cyclic esters were separated by chromatography and the structures of (CH{sub 2}C(O)O){sub 6}, (S,R,R,R,R,R)-(CHMeC(O)O){sub 6} and (S,S,R,R,R,R)-(CHMeC(O)O){sub 6} were determined. The {sup 1}H and {sup 13}C NMR data are reported for one of each of the six enantiomers of (CHMeC(O)O){sub 6} and the two meso isomers. The mechanism for the formation of these 18-membered rings is discussed in terms of an initial reaction between DMAP and NaBPh{sub 4} in hot benzene that produces NaPh and DMAP:BPh{sub 3} in the presence of the monomer lactide. The cyclic esters (CHMeC(O)O){sub 6} can also be obtained from the reaction between polylactide, PLA, in the presence of DMAP and NaBPh{sub 4}. The cyclic esters 3-methyl-1,4-dioxane-2,5-dione and 3,6,6-trimethyl-1,4-dioxane-2,5-dione undergo similar ring enlarging reactions to give cyclic 18-membered ring esters as determined by ESI-MS.

  6. The influence of microscopic structures on rotational motion in nuclei

    NASA Astrophysics Data System (ADS)

    Wadsworth, R.; Nolan, P. J.

    2002-07-01

    This paper will concentrate on a study of the role and influence of microscopic structures on the properties of rotational bands in nuclei. Collective rotational features are well known in nuclei. Much of the review will discuss examples taken from experimental investigations of highly/superdeformed structures and their theoretical interpretation, which provide some of best and clearest rotational phenomena observed in nuclei. These structures have well-defined rotational properties that can be described by a collective model. The link between the deformation of these structures and the valence particle configuration has been established in many nuclei and recent experimental data are presented. Detailed investigations with new, very sensitive, instrumentation have revealed some extremely interesting and unexpected phenomena, such as the observation of identical rotational bands in neighbouring nuclei and energy staggering between adjacent states within a single band. The experimental and theoretical aspects of these new features will be discussed. The spectroscopy of highly/superdeformed structures has been studied extensively and many bands observed in a given nucleus which arise from particle-hole excitations. Measurements are now available, through the strength of magnetic dipole transitions, of the properties of specific single-particle orbitals. In the medium mass (A~60) region highly deformed states have been observed to decay by both proton and alpha emission in addition to the normal γ-decay mode. The decay widths, which are retarded for these channels, are related to the microscopic structures of the states involved. Investigations of rotational motion in exotic triaxial and hyperdeformed nuclear shapes are also reviewed. Recent work on `smooth band termination', in medium to medium-heavy nuclei, which results when a deformed collectively rotating nucleus gradually changes from a near-prolate to a non-collective oblate shape, has revealed detailed

  7. Cyclic structural analyses of anisotropic turbine blades for reusable space propulsion systems. [ssme fuel turbopump

    NASA Technical Reports Server (NTRS)

    Manderscheid, J. M.; Kaufman, A.

    1985-01-01

    Turbine blades for reusable space propulsion systems are subject to severe thermomechanical loading cycles that result in large inelastic strains and very short lives. These components require the use of anisotropic high-temperature alloys to meet the safety and durability requirements of such systems. To assess the effects on blade life of material anisotropy, cyclic structural analyses are being performed for the first stage high-pressure fuel turbopump blade of the space shuttle main engine. The blade alloy is directionally solidified MAR-M 246 alloy. The analyses are based on a typical test stand engine cycle. Stress-strain histories at the airfoil critical location are computed using the MARC nonlinear finite-element computer code. The MARC solutions are compared to cyclic response predictions from a simplified structural analysis procedure developed at the NASA Lewis Research Center.

  8. Estimating ankle rotational constraints from anatomic structure

    NASA Astrophysics Data System (ADS)

    Baker, H. H.; Bruckner, Janice S.; Langdon, John H.

    1992-09-01

    Three-dimensional biomedical data obtained through tomography provide exceptional views of biological anatomy. While visualization is one of the primary purposes for obtaining these data, other more quantitative and analytic uses are possible. These include modeling of tissue properties and interrelationships, simulation of physical processes, interactive surgical investigation, and analysis of kinematics and dynamics. As an application of our research in modeling tissue structure and function, we have been working to develop interactive and automated tools for studying joint geometry and kinematics. We focus here on discrimination of morphological variations in the foot and determining the implications of these on both hominid bipedal evolution and physical therapy treatment for foot disorders.

  9. Complete action for open superstring field theory with cyclic A ∞ structure

    NASA Astrophysics Data System (ADS)

    Erler, Theodore; Okawa, Yuji; Takezaki, Tomoyuki

    2016-08-01

    We construct a gauge invariant action for the Neveu-Schwarz and Ramond sectors of open superstring field theory realizing a cyclic A ∞ structure, providing the first complete and fully explicit solution to the classical Batalin-Vilkovisky master equation in superstring field theory. We also demonstrate the equivalence of our action to the Wess-Zumino-Witten-based construction of Kunitomo and one of the authors.

  10. Formation and evolution of tweed structures on high-purity aluminum polycrystalline foils under cyclic tension

    SciTech Connect

    Kuznetsov, P. V.; Vlasov, I. V.; Sklyarova, E. A.; Smekalina, T. V.

    2015-10-27

    Peculiarities of formation and evolution of tweed structures on the surface of high-purity aluminum polycrystalline foils under cyclic tension were studied using an atom force microscope and a white light interferometer. Tweed structures of micron and submicron sizes were found on the foils at different number of cycles. In the range of 42,000 < N < 95,000 cycles destruction of tweed patterns is observed, which leads to their disappearance from the surface of the foils. Formation of tweed structures of various scales is discussed in terms of the Grinfeld instability.

  11. Finite Rotation Analysis of Highly Thin and Flexible Structures

    NASA Technical Reports Server (NTRS)

    Clarke, Greg V.; Lee, Keejoo; Lee, Sung W.; Broduer, Stephen J. (Technical Monitor)

    2001-01-01

    Deployable space structures such as sunshields and solar sails are extremely thin and highly flexible with limited bending rigidity. For analytical investigation of their responses during deployment and operation in space, these structures can be modeled as thin shells. The present work examines the applicability of the solid shell element formulation to modeling of deployable space structures. The solid shell element formulation that models a shell as a three-dimensional solid is convenient in that no rotational parameters are needed for the description of kinematics of deformation. However, shell elements may suffer from element locking as the thickness becomes smaller unless special care is taken. It is shown that, when combined with the assumed strain formulation, the solid shell element formulation results in finite element models that are free of locking even for extremely thin structures. Accordingly, they can be used for analysis of highly flexible space structures undergoing geometrically nonlinear finite rotations.

  12. Rotating spacetimes with asymptotic nonflat structure and the gyromagnetic ratio

    NASA Astrophysics Data System (ADS)

    Aliev, Alikram N.

    2008-02-01

    In general relativity, the gyromagnetic ratio for all stationary, axisymmetric, and asymptotically flat Einstein-Maxwell fields is known to be g=2. In this paper, we continue our previous works of examination of this result for rotating charged spacetimes with asymptotic nonflat structure. We first consider two instructive examples of these spacetimes: The spacetime of a Kerr-Newman black hole with a straight cosmic string on its axis of symmetry and the Kerr-Newman Taub-NUT (Newman-Unti-Tamburino) spacetime. We show that for both spacetimes the gyromagnetic ratio g=2 independent of their asymptotic structure. We also extend this result to a general class of metrics which admit separation of variables for the Hamilton-Jacobi and wave equations. We proceed with the study of the gyromagnetic ratio in higher dimensions by considering the general solution for rotating charged black holes in minimal five-dimensional gauged supergravity. We obtain the analytic expressions for two distinct gyromagnetic ratios of these black holes that are associated with their two independent rotation parameters. These expressions reveal the dependence of the gyromagnetic ratio on both the curvature radius of the AdS background and the parameters of the black holes: The mass, electric charge, and two rotation parameters. We explore some special cases of interest and show that when the two rotation parameters are equal to each other and the rotation occurs at the maximum angular velocity, the gyromagnetic ratio g=4 regardless of the value of the electric charge. This agrees precisely with our earlier result obtained for general Kerr-AdS black holes with a test electric charge. We also show that in the Bogomol’nyi-Prasad-Sommerfield (BPS) limit the gyromagnetic ratio for a supersymmetric black hole with equal rotation parameters ranges between 2 and 4.

  13. Rotating spacetimes with asymptotic nonflat structure and the gyromagnetic ratio

    SciTech Connect

    Aliev, Alikram N.

    2008-02-15

    In general relativity, the gyromagnetic ratio for all stationary, axisymmetric, and asymptotically flat Einstein-Maxwell fields is known to be g=2. In this paper, we continue our previous works of examination of this result for rotating charged spacetimes with asymptotic nonflat structure. We first consider two instructive examples of these spacetimes: The spacetime of a Kerr-Newman black hole with a straight cosmic string on its axis of symmetry and the Kerr-Newman Taub-NUT (Newman-Unti-Tamburino) spacetime. We show that for both spacetimes the gyromagnetic ratio g=2 independent of their asymptotic structure. We also extend this result to a general class of metrics which admit separation of variables for the Hamilton-Jacobi and wave equations. We proceed with the study of the gyromagnetic ratio in higher dimensions by considering the general solution for rotating charged black holes in minimal five-dimensional gauged supergravity. We obtain the analytic expressions for two distinct gyromagnetic ratios of these black holes that are associated with their two independent rotation parameters. These expressions reveal the dependence of the gyromagnetic ratio on both the curvature radius of the AdS background and the parameters of the black holes: The mass, electric charge, and two rotation parameters. We explore some special cases of interest and show that when the two rotation parameters are equal to each other and the rotation occurs at the maximum angular velocity, the gyromagnetic ratio g=4 regardless of the value of the electric charge. This agrees precisely with our earlier result obtained for general Kerr-AdS black holes with a test electric charge. We also show that in the Bogomol'nyi-Prasad-Sommerfield (BPS) limit the gyromagnetic ratio for a supersymmetric black hole with equal rotation parameters ranges between 2 and 4.

  14. Hardware efficient implementation of DFT using an improved first-order moments based cyclic convolution structure

    NASA Astrophysics Data System (ADS)

    Xiong, Jun; Liu, J. G.; Cao, Li

    2015-12-01

    This paper presents hardware efficient designs for implementing the one-dimensional (1D) discrete Fourier transform (DFT). Once DFT is formulated as the cyclic convolution form, the improved first-order moments-based cyclic convolution structure can be used as the basic computing unit for the DFT computation, which only contains a control module, a barrel shifter and (N-1)/2 accumulation units. After decomposing and reordering the twiddle factors, all that remains to do is shifting the input data sequence and accumulating them under the control of the statistical results on the twiddle factors. The whole calculation process only contains shift operations and additions with no need for multipliers and large memory. Compared with the previous first-order moments-based structure for DFT, the proposed designs have the advantages of less hardware consumption, lower power consumption and the flexibility to achieve better performance in certain cases. A series of experiments have proven the high performance of the proposed designs in terms of the area time product and power consumption. Similar efficient designs can be obtained for other computations, such as DCT/IDCT, DST/IDST, digital filter and correlation by transforming them into the forms of the first-order moments based cyclic convolution.

  15. Peculiarities of the fine structure of the 11-year cyclicity of solar activity

    SciTech Connect

    Voichishin, K.S.

    1981-01-01

    Substantiation is given for the concept of cyclicity, at the basis of which lie such characteristic features of heliophysical time series as stochasticity, discontinuity, and stability of the shape of the cycles. A conceptual and formal apparatus is developed for the description and analysis of cyclic oscillations. A simple model of cyclicity with disturbances of the phase structure and without them is analyzed on a heuristic level of rigor. The results of an investigation of the monthly fluctuations of Wolf numbers obtained within the framework of this model are presented. A connection between the quasideterminate amplitude component of the monthly fluctuations of Wolf numbers in the range of periods of from 2 to 15 months and the 11-year component is confirmed. It is shown that the fine structure of the 11-year averaged cycle of monthly average Wolf numbers is determined mainly by the almost-yearly quasideterminate component. The possibility of discontinuity (from cycle to cycle) in the quasi-determinate component of the above-mentioned fluctuations is pointed out.

  16. The Rotational Spectrum and Conformational Structures of Methyl Valerate

    NASA Astrophysics Data System (ADS)

    Nguyen, Ha Vinh Lam; Stahl, Wolfgang

    2015-06-01

    Methyl valerate, C4H9COOCH3, belongs to the class of fruit esters, which play an important role in nature as odorants of different fruits, flowers, and wines. A sufficient explanation for the structure-odor relation of is not available. It is known that predicting the odor of a substance is not possible by knowing only its chemical formula. A typical example is the blueberry- or pine apple-like odor of ethyl isovalerate while its isomers ethyl valerate and isoamyl acetate smell like green apple and banana, respectively. Obviously, not only the composition but also the molecular structures are not negligible by determining the odor of a substance. Gas phase structures of fruit esters are thus important for a first step towards the determination of structure-odor relation since the sense of smell starts from gas phase molecules. For this purpose, a combination of microwave spectroscopy and quantum chemical calculations (QCCs) is an excellent tool. Small esters often have sufficient vapor pressure to be transferred easily in the gas phase for a rotational study but already contain a large number of atoms which makes them too big for classical structure determination by isotopic substitution and requires nowadays a comparison with the structures optimized by QCCs. On the other hand, the results from QCCs have to be validated by the experimental values. About the internal dynamics, the methoxy methyl group -COOCH3 of methyl acetate shows internal rotation with a barrier of 424.581(56) wn. A similar barrier height of 429.324(23) wn was found in methyl propionate, where the acetyl group is extended to the propionyl group. The investigation on methyl valerate fits well in this series of methyl alkynoates. In this talk, the structure of the most energetic favorable conformer as well as the internal rotation shown by the methoxy methyl group will be reported. It could be confirmed that the internal rotation barrier of the methoxy methyl group remains by longer alkyl chain.

  17. Phase Structure and Cyclic Deformation in Eutectic Tin-Lead Alloy: A Numerical Analysis

    SciTech Connect

    FANG,HUEI ELIOT; Li,W; SHEN,Y.-L

    1999-09-09

    This study is devoted to providing a mechanistic rationale of coarsening induced failure in solder alloys during thermomechanical fatigue. Micromechanical modeling of cyclic deformation of eutectic tin-lead alloy was undertaken using the finite element method. The models consist of regularly arranged tin-rich and lead-rich phases, simulating the lamellar array and colony structure in a typical eutectic system. A fine structure and a coarse structure, bearing the same phase fraction but different in the aspect ratio of each lead-rich layer and in the number of lead-rich layers in each colony, are utilized for representing the microstructure before and after coarsening, respectively. Both phases are treated as elastic-plastic solids with their respective properties. For simplicity the creep effect is ignored without compromising the main objective of this study. Cyclic loading under pure shear and uniaxial conditions is modeled. It is found that both the fine and coarse structures exhibit essentially the same macroscopic stress-strain response. The coarse structure, however, shows a greater maximum effective plastic strain on a local scale throughout the deformation. The numerical result implies that, in a solder joint, a locally coarsened region may not be mechanically weaker than its surrounding, but it is subject to early damage initiation due to accumulated plasticity. Other implications regarding solder alloy failure and micromechanical modeling of two-phase materials are discussed.

  18. Structural and evolutionary divergence of cyclic nucleotide binding domains in eukaryotic pathogens: Implications for drug design.

    PubMed

    Mohanty, Smita; Kennedy, Eileen J; Herberg, Friedrich W; Hui, Raymond; Taylor, Susan S; Langsley, Gordon; Kannan, Natarajan

    2015-10-01

    Many cellular functions in eukaryotic pathogens are mediated by the cyclic nucleotide binding (CNB) domain, which senses second messengers such as cyclic AMP and cyclic GMP. Although CNB domain-containing proteins have been identified in many pathogenic organisms, an incomplete understanding of how CNB domains in pathogens differ from other eukaryotic hosts has hindered the development of selective inhibitors for CNB domains associated with infectious diseases. Here, we identify and classify CNB domain-containing proteins in eukaryotic genomes to understand the evolutionary basis for CNB domain functional divergence in pathogens. We identify 359 CNB domain-containing proteins in 31 pathogenic organisms and classify them into distinct subfamilies based on sequence similarity within the CNB domain as well as functional domains associated with the CNB domain. Our study reveals novel subfamilies with pathogen-specific variations in the phosphate-binding cassette. Analyzing these variations in light of existing structural and functional data provides new insights into ligand specificity and promiscuity and clues for drug design. This article is part of a Special Issue entitled: Inhibitors of Protein Kinases. PMID:25847873

  19. Crystal structure of human insulin-regulated aminopeptidase with specificity for cyclic peptides.

    PubMed

    Hermans, Stefan J; Ascher, David B; Hancock, Nancy C; Holien, Jessica K; Michell, Belinda J; Chai, Siew Yeen; Morton, Craig J; Parker, Michael W

    2015-02-01

    Insulin-regulated aminopeptidase (IRAP or oxytocinase) is a membrane-bound zinc-metallopeptidase that cleaves neuroactive peptides in the brain and produces memory enhancing effects when inhibited. We have determined the crystal structure of human IRAP revealing a closed, four domain arrangement with a large, mostly buried cavity abutting the active site. The structure reveals that the GAMEN exopeptidase loop adopts a very different conformation from other aminopeptidases, thus explaining IRAP's unique specificity for cyclic peptides such as oxytocin and vasopressin. Computational docking of a series of IRAP-specific cognitive enhancers into the crystal structure provides a molecular basis for their structure-activity relationships and demonstrates that the structure will be a powerful tool in the development of new classes of cognitive enhancers for treating a variety of memory disorders such as Alzheimer's disease. PMID:25408552

  20. Rotating structures and vortices in low temperature plasmas

    NASA Astrophysics Data System (ADS)

    Boeuf, Jean-Pierre

    2014-10-01

    Rotating structures are present in a number of low temperature EXB devices such as Hall thrusters, magnetrons, Penning discharges etc...Some aspects of the physics of these rotating instabilities are specific to low temperature plasmas because of the relatively large collisionality, the role of ionization, and the fact that ions are often non-magnetized. On the basis of fully kinetic simulations (Particle-In-Cell Monte Carlo Collisions) we describe the formation of a rotating instability associated with an ionization front (``rotating spoke'') and driven by a cross-field current in a self-sustained cylindrical magnetron discharge at gas pressure on the order of 1 Pa. The rotating spoke is a strong double layer (electrostatic sheath) moving towards the higher potential region at a velocity close to the critical ionization velocity, a concept proposed by Alfvén in the context of the formation of the solar system. The mechanisms of cross-field electron transport induced by this instability are analyzed. At lower pressure (<0.01 Pa) the plasma of a magnetron discharge is non-neutral and the simulations predict the formation of electron vortices rotating in the azimuthal direction and resulting from the diocotron instability. The properties of these vortices are specific since they form in a self-sustained discharge where ionization (and losses at the ends of the plasma column) play an essential role in contrast with the electron vortices in pure electron plasmas. We discuss and analyze the mechanisms leading to the generation, dynamics and merging of these self-sustained electron vortices, and to the periodic ejection of fast electrons at the column ends (consistent with previous experimental observations).

  1. Thermo-mechanical cyclic testing of carbon-carbon primary structure for an SSTO vehicle

    NASA Astrophysics Data System (ADS)

    Croop, Harold C.; Leger, Kenneth B.; Lowndes, Holland B.; Hahn, Steven E.; Barthel, Chris A.

    1999-01-01

    An advanced carbon-carbon structural component is being experimentally evaluated for use as primary load carrying structure for future single-stage-to-orbit (SSTO) vehicles. The component is a wing torque box section featuring an advanced, three-spar design. This design features 3D-woven, angle-interlock skins, 3D integrally woven spar webs and caps, oxidation inhibited matrix, chemical vapor deposited (CVD) oxidation protection coating, and ceramic matrix composite fasteners. The box spar caps are nested into the skins which, when processed together through the carbon-carbon processing cycle, resulted in monolithic box halves. The box half sections were then joined at the spar web intersections using ceramic matrix composite fasteners. This method of fabrication eliminated fasteners through both the upper and lower skins. Development of the carbon-carbon wing box structure was accomplished in a four phase design and fabrication effort, conducted by Boeing, Information, Space and Defense Systems, Seattle, WA, under contract to the Air Force Research Laboratory (AFRL). The box is now set up for testing and will soon begin cyclic loads testing in the AFRL Structural Test Facility at Wright-Patterson Air Force Base (WPAFB), OH. This paper discusses the latest test setup accomplishments and the results of the pre-cyclic loads testing performed to date.

  2. Crystal structure of human insulin-regulated aminopeptidase with specificity for cyclic peptides

    PubMed Central

    Hermans, Stefan J; Ascher, David B; Hancock, Nancy C; Holien, Jessica K; Michell, Belinda J; Yeen Chai, Siew; Morton, Craig J; Parker, Michael W

    2015-01-01

    Insulin-regulated aminopeptidase (IRAP or oxytocinase) is a membrane-bound zinc-metallopeptidase that cleaves neuroactive peptides in the brain and produces memory enhancing effects when inhibited. We have determined the crystal structure of human IRAP revealing a closed, four domain arrangement with a large, mostly buried cavity abutting the active site. The structure reveals that the GAMEN exopeptidase loop adopts a very different conformation from other aminopeptidases, thus explaining IRAP's unique specificity for cyclic peptides such as oxytocin and vasopressin. Computational docking of a series of IRAP-specific cognitive enhancers into the crystal structure provides a molecular basis for their structure–activity relationships and demonstrates that the structure will be a powerful tool in the development of new classes of cognitive enhancers for treating a variety of memory disorders such as Alzheimer's disease. PMID:25408552

  3. Crystal structure of cyclic nucleotide-binding-like protein from Brucella abortus.

    PubMed

    He, Zheng; Gao, Yuan; Dong, Jing; Ke, Yuehua; Li, Xuemei; Chen, Zeliang; Zhang, Xuejun C

    2015-12-25

    The cyclic nucleotide-binding (CNB)-like protein (CNB-L) from Brucella abortus shares sequence homology with CNB domain-containing proteins. We determined the crystal structure of CNB-L at 2.0 Å resolution in the absence of its C-terminal helix and nucleotide. The 3D structure of CNB-L is in a two-fold symmetric form. Each protomer shows high structure similarity to that of cGMP-binding domain-containing proteins, and likely mimics their nucleotide-free conformation. A key residue, Glu17, mediates the dimerization and prevents binding of cNMP to the canonical ligand-pocket. The structurally observed dimer of CNB-L is stable in solution, and thus is likely to be biologically relevant. PMID:26549229

  4. Structural Optimization Methodology for Rotating Disks of Aircraft Engines

    NASA Technical Reports Server (NTRS)

    Armand, Sasan C.

    1995-01-01

    In support of the preliminary evaluation of various engine technologies, a methodology has been developed for structurally designing the rotating disks of an aircraft engine. The structural design methodology, along with a previously derived methodology for predicting low-cycle fatigue life, was implemented in a computer program. An interface computer program was also developed that gathers the required data from a flowpath analysis program (WATE) being used at NASA Lewis. The computer program developed for this study requires minimum interaction with the user, thus allowing engineers with varying backgrounds in aeropropulsion to successfully execute it. The stress analysis portion of the methodology and the computer program were verified by employing the finite element analysis method. The 10th- stage, high-pressure-compressor disk of the Energy Efficient Engine Program (E3) engine was used to verify the stress analysis; the differences between the stresses and displacements obtained from the computer program developed for this study and from the finite element analysis were all below 3 percent for the problem solved. The computer program developed for this study was employed to structurally optimize the rotating disks of the E3 high-pressure compressor. The rotating disks designed by the computer program in this study were approximately 26 percent lighter than calculated from the E3 drawings. The methodology is presented herein.

  5. Structural, biochemical, and functional characterization of the cyclic nucleotide binding homology domain from the mouse EAG1 potassium channel.

    PubMed

    Marques-Carvalho, Maria J; Sahoo, Nirakar; Muskett, Frederick W; Vieira-Pires, Ricardo S; Gabant, Guillaume; Cadene, Martine; Schönherr, Roland; Morais-Cabral, João H

    2012-10-12

    KCNH channels are voltage-gated potassium channels with important physiological functions. In these channels, a C-terminal cytoplasmic region, known as the cyclic nucleotide binding homology (CNB-homology) domain displays strong sequence similarity to cyclic nucleotide binding (CNB) domains. However, the isolated domain does not bind cyclic nucleotides. Here, we report the X-ray structure of the CNB-homology domain from the mouse EAG1 channel. Through comparison with the recently determined structure of the CNB-homology domain from the zebrafish ELK (eag-like K(+)) channel and the CNB domains from the MlotiK1 and HCN (hyperpolarization-activated cyclic nucleotide-gated) potassium channels, we establish the structural features of CNB-homology domains that explain the low affinity for cyclic nucleotides. Our structure establishes that the "self-liganded" conformation, where two residues of the C-terminus of the domain are bound in an equivalent position to cyclic nucleotides in CNB domains, is a conserved feature of CNB-homology domains. Importantly, we provide biochemical evidence that suggests that there is also an unliganded conformation where the C-terminus of the domain peels away from its bound position. A functional characterization of this unliganded conformation reveals a role of the CNB-homology domain in channel gating. PMID:22732247

  6. Structure and mechanism of E. coli RNA 2′,3′-cyclic phosphodiesterase

    PubMed Central

    Remus, Barbara S.; Jacewicz, Agata

    2014-01-01

    2H (two-histidine) phosphoesterase enzymes are distributed widely in all domains of life and are implicated in diverse RNA and nucleotide transactions, including the transesterification and hydrolysis of cyclic phosphates. Here we report a biochemical and structural characterization of the Escherichia coli 2H protein YapD, which was identified originally as a reversible transesterifying “nuclease/ligase” at RNA 2′,5′-phosphodiesters. We find that YapD is an “end healing” cyclic phosphodiesterase (CPDase) enzyme that hydrolyzes an HORNA>p substrate with a 2′,3′-cyclic phosphodiester to a HORNAp product with a 2′-phosphomonoester terminus, without concomitant end joining. Thus we rename this enzyme ThpR (two-histidine 2′,3′-cyclic phosphodiesterase acting on RNA). The 2.0 Å crystal structure of ThpR in a product complex with 2′-AMP highlights the roles of extended histidine-containing motifs 43HxTxxF48 and 125HxTxxR130 in the CPDase reaction. His43-Nε makes a hydrogen bond with the ribose O3′ leaving group, thereby implicating His43 as a general acid catalyst. His125-Nε coordinates the O1P oxygen of the AMP 2′-phosphate (inferred from geometry to derive from the attacking water nucleophile), pointing to His125 as a general base catalyst. Arg130 makes bidentate contact with the AMP 2′-phosphate, suggesting a role in transition-state stabilization. Consistent with these inferences, changing His43, His125, or Arg130 to alanine effaced the CPDase activity of ThpR. Phe48 makes a π–π stack on the adenine nucleobase. Mutating Phe28 to alanine slowed the CPDase by an order of magnitude. The tertiary structure and extended active site motifs of ThpR are conserved in a subfamily of bacterial and archaeal 2H enzymes. PMID:25239919

  7. Structural integrity and failure mechanisms of a smart piezoelectric actuator under a cyclic bending mode

    NASA Astrophysics Data System (ADS)

    Woo, Sung-Choong; Goo, Nam Seo

    2008-08-01

    Information on the onset and evolution of damage within materials is essential for guaranteeing the integrity of actuator systems. The authors have evaluated the structural integrity and the failure mechanisms of smart composite actuators with a PZT ceramic plate under electric cyclic loading. For this, two kinds of actuators, actuator 1 and actuator 2, were manufactured. Prior to the main testing, performance testing was performed on the actuators to determine their resonant frequencies. Electric cyclic tests were conducted up to twenty million cycles. An acoustic emission technique was used for monitoring the damage evolution in real time. We observed the extent of the damage after testing using scanning electron microscopy and reflected optical microscopy to support characteristics in the acoustic emission behavior that corresponded to specific types of damage mechanisms. It was shown that the initial damage mechanism of the smart composite actuator under electric cyclic loading originated from the transgranular micro-fatigue damage in the PZT ceramic layer. With increasing cycles, a local intergranular crack initiated and developed onto the surface of the PZT ceramic layer or propagated into the internal layer. Finally, short-circuiting led to the electric breakdown of the actuator. These results were different depending on the drive frequencies and the configuration of the actuators. Moreover, we differentiated between the aforementioned damage mechanisms via AE signal pattern analyses based on the primary frequency and the waveform. From our results, we conclude that the drive frequency and the existence of a protecting layer are dominant factors in the structural integrity of the smart composite actuator.

  8. Structural Studies of Pyrrole-Benzene Complexes by Chirped-Pulse Rotational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Lobsiger, Simon; Perez, Cristobal; Zaleski, Daniel P.; Seifert, Nathan A.; Pate, Brooks H.; Pfaffen, Chantal; Trachsel, Maria A.; Leutwyler, Samuel

    2013-06-01

    Non-covalent intermolecular interactions are important in structural biology. The N-H \\cdots π hydrogen bond between amino acid side chains is an important structural determinant and highly affects the secondary structure of proteins. The pyrrole-benzene complex can be viewed as a model system for studying these fundamental interactions. Previous IR and UV spectroscopic studies of the pyrrole-benzene complex by Dauster et al. support a T-shaped structure with an N-H \\cdots π hydrogen bond to the benzene ring. In order to obtain accurate structural information we have investigated the broadband rotational spectrum of the supersonic-jet cooled complexes of pyrrole with benzene and benzene-d_{1} in the 2-18 GHz frequency range. In addition to the hetero dimer we have also observed the two cyclic mixed trimers (pyrrole)_{2}-benzene and pyrrole-(benzene)_{2}. I. Dauster, C. A. Rice, P. Zielke, and M. A. Suhm Phys. Chem. Chem. Phys. {10}, 2827 (2008) C. Pfaffen, D. Infanger, P. Ottiger, H. M. Frey, and S. Leutwyler Phys. Chem. Chem. Phys. {13}, 14110 (2011)

  9. Accurate Structure Prediction and Conformational Analysis of Cyclic Peptides with Residue-Specific Force Fields.

    PubMed

    Geng, Hao; Jiang, Fan; Wu, Yun-Dong

    2016-05-19

    Cyclic peptides (CPs) are promising candidates for drugs, chemical biology tools, and self-assembling nanomaterials. However, the development of reliable and accurate computational methods for their structure prediction has been challenging. Here, 20 all-trans CPs of 5-12 residues selected from Cambridge Structure Database have been simulated using replica-exchange molecular dynamics with four different force fields. Our recently developed residue-specific force fields RSFF1 and RSFF2 can correctly identify the crystal-like conformations of more than half CPs as the most populated conformation. The RSFF2 performs the best, which consistently predicts the crystal structures of 17 out of 20 CPs with rmsd < 1.1 Å. We also compared the backbone (ϕ, ψ) sampling of residues in CPs with those in short linear peptides and in globular proteins. In general, unlike linear peptides, CPs have local conformational free energies and entropies quite similar to globular proteins. PMID:27128113

  10. A non-intuitive design of a cyclic decapeptide library with unique backbone structural features.

    PubMed

    Paul, P K C

    2003-12-01

    An analysis of hydrogen bonding patterns of cyclic decapeptide (CDP) beta-sheet structures has resulted in a 'non-intuitive' design of cyclic decapeptides wherein their beta-turns and residue positions can be fixed by choosing 2 of the 10 residues, i.e. positions i and i+4, to be Prolines or N-substituted residues. This sequence relationship between the two Pro or N-substituted residues is shown to uniquely define the conformation of the CDP. Furthermore, this design of the 2 beta-turn, beta-sheet CDP structure is expected to be characterised by residues disposed in an exclusive fashion in which four residues are on one side of the ring, two on the other and the four corner residues in the beta-turn are in the plane of the ring. This opens up the possibility of fine-tuning the four residues facing one way and /or the two residues facing the other way such that a library containing a myriad of chemically diverse systems could be obtained. The design process along with the molecular modelling of specific CDP-s and the building of a CDP library are discussed in detail. PMID:14683511

  11. POMM: design of rotating mechanism and hexapod structure

    NASA Astrophysics Data System (ADS)

    Côté, Patrice; Leclerc, Mélanie; Demers, Mathieu; Bastien, Pierre; Hernandez, Olivier

    2014-08-01

    The new high precision polarimeter for the "Observatoire du Mont Mégantic" (POMM) is an instrument designed to observe exoplanets and other targets in the visible and near infrared wavebands. The requirements to achieve these observation goals are posing unusual challenges to structural and mechanical designers. In this paper, the detailed design, analysis and laboratory results of the key mechanical structure and sub-systems are presented. First, to study extremely low polarization, the birefringence effect due to stresses in the optical elements must be kept to the lowest possible values. The double-wedge Wollaston custom prism assembly that splits the incoming optical beam is made of bonded α-BBO to N-BK-7 glass lenses. Because of the large mismatch of coefficients of thermal expansion and temperatures as low as -40°C that can be encountered at Mont-Mégantic observatory, a finite element analysis (FEA) model is developed to find the best adhesive system to minimize stresses. Another critical aspect discussed in details is the implementation of the cascaded rotating elements and the twin rotating stages. Special attention is given to the drive mechanism and encoding technology. The objective was to reach high absolute positional accuracy in rotation without any mechanical backlash. As for many other instruments, mass, size and dimensional stability are important critera for the supporting structure. For a cantilevered device, such as POMM, a static hexapod is an attractive solution because of the high stiffness to weight ratio. However, the mechanical analysis revealed that the specific geometry of the dual channel optical layout also added an off-axis counterbalancing problem. To reach an X-Y displacement error on the detector smaller than 35μm for 0-45° zenith angle, further structural optimization was done using FEA. An imaging camera was placed at the detector plane during assembly to measure the actual optical beam shift under varying gravitational

  12. Equilibrium structures in partially ionized rotating plasmas within Hall magnetohydrodynamics

    NASA Astrophysics Data System (ADS)

    Krishan, V.; Yoshida, Z.

    2006-09-01

    The formation of equilibrium structures in partially ionized rotating plasmas, consisting of electrons, ions, and neutral molecules, including the Hall effect, is studied in order to diagnose the possible velocity and the magnetic field configurations in a self-consistent manner. A few simple examples show that the linear and the nonlinear force-free magnetic configurations along with essentially nonlinear Beltrami flow field seem to be the general features of plasmas in the special case of the Keplerian rotation relevant for astrophysical plasmas. Thus rotation along with axial bipolar flows emerges as a natural pattern in gravitationally controlled magnetohydrodynamic systems. However, the equilibrium conditions permit more general flow and the magnetic field profiles that can perhaps be fully explored numerically. A special class of equilibria with unit magnetic Prandtl number and equal values of the fractional ion mass density α =ρi/ρn and the Hall parameter ɛ =λi/L exists where ρ's are the uniform mass densities, λi is the ion inertial scale, and L is the scale of the equilibrium structure. An approximate scaling law between the ionization fraction and the scale of the structure is found. Further by expressing the not so well known ionization fraction in terms of the temperature of the system, assuming thermal equilibrium, relationships among the extensive parameters such as the scale, the neutral particle density, the flow velocity, the temperature, and the magnetic field of the equilibrium structure can be determined. There seems to be a good overlap between the Hall and the thermal equilibria. The validity of the neglect of the ion dynamics is discussed.

  13. Crystal structure of cyclic tris-(ferrocene-1,1'-di-yl).

    PubMed

    Shekurov, Ruslan; Miluykov, Vasili; Kataeva, Olga; Tufatullin, Artem; Sinyashin, Oleg

    2014-09-01

    The mol-ecular structure of the trinuclear title compound, [Fe3(C10H8)3] {systematic name: tris-[μ-(η(5):η(5))-1,1'-bi-cyclo-penta-dien-yl]tri-iron(II)}, consists of three ferrocene subunits (each with an eclipsed conformation) that are condensed via C-C bonds of the fulvalene moieties into a cyclic trimer. The angles between the planes of the cyclo-penta-dienyl (Cp) rings within the three fulvalene moieties are 76.1 (3), 80.9 (3) and 81.7 (3)°. In the crystal, C-H⋯π inter-actions between neighbouring mol-ecules lead to the cohesion of the structure. PMID:25309179

  14. First-principles study of structure and properties of the cyclic pentamer of formaldehyde

    NASA Astrophysics Data System (ADS)

    Sreepad, H. R.; Ravi, H. R.; Hembram, K. P. S. S.; Waghmare, Umesh V.

    2012-06-01

    Structure of the cyclic pentamer of formaldehylde - Pentaxecane has been studied using first-principles. The structural parameters have been compared with the x-ray data available in the literature. The binding energy per monomer and per atom turn out to be to 2240 kJ/mole/monomer and 560 kJ/mole/atom respectively. Electronic density of states (EDOS) have been calculated which gives a value of 5.64 eV as the band gap. Phonon frequencies have been calculated at the Gamma point. Phonon modes show wave numbers ranging from 22cm-1 to 2995cm-1. Values of dielectric constant along different axes have also been calculated. The dielectric constant has also been determined experimentally and compared.

  15. Determination of Membrane Protein Structure by Rotational Resonance NMR: Bacteriorhodopsin

    NASA Astrophysics Data System (ADS)

    Creuzet, F.; McDermott, A.; Gebhard, R.; van der Hoef, K.; Spijker-Assink, M. B.; Herzfeld, J.; Lugtenburg, J.; Levitt, M. H.; Griffin, R. G.

    1991-02-01

    Rotationally resonant magnetization exchange, a new nuclear magnetic resonance (NMR) technique for measuring internuclear distances between like spins in solids, was used to determine the distance between the C-8 and C-18 carbons of retinal in two model compounds and in the membrane protein bacteriorhodopsin. Magnetization transfer between inequivalent spins with an isotropic shift separation, δ, is driven by magic angle spinning at a speed ω_r that matches the rotational resonance condition δ = nω_r, where n is a small integer. The distances measured in this way for both the 6-s-cis- and 6-s-trans-retinoic acid model compounds agreed well with crystallographically known distances. In bacteriorhodopsin the exchange trajectory between C-8 and C-18 was in good agreement with the internuclear distance for a 6-s-trans configuration [4.2 angstroms (overset{circ}{mathrm A})] and inconsistent with that for a 6-s-cis configuration (3.1 overset{circ}{mathrm A}). The results illustrate that rotational resonance can be used for structural studies in membrane proteins and in other situations where diffraction and solution NMR techniques yield limited information.

  16. Femtosecond-laser fabrication of cyclic structures in the bulk of transparent dielectrics

    NASA Astrophysics Data System (ADS)

    Vartapetov, S. K.; Ganin, D. V.; Lapshin, K. E.; Obidin, A. Z.

    2015-08-01

    We report the results of the experiments on developing precision micromachining technology, obtained under the conditions of focusing the pulses of a femtosecond (FS) laser into the volume of a transparent material, which is important, particularly, in the processing of biomaterials in ophthalmology. The implementation conditions and some characteristic features of the special regime of micromachining are determined, when at a definite relation between the sample scanning velocity and the repetition rate of FS pulses the region, destroyed by the laser radiation, is shifted along the optical axis towards the objective and back, forming cyclic patterns inside the sample. It is supposed that the main causes of the damage region shift are the induced modification of the refractive index and the reduction of the damage threshold due to the change in the material density and structure in the microscopic domain, adjacent to the boundary of the cavity produced by the previous pulse. The results of the performed study with the above regime taken into account were used in the technology of precision cutting of crystals, glasses and polymers. The best quality of the cut surface is achieved under the conditions, eliminating the appearance of the cyclic regime. In the samples of polycarbonate, polymethyl methacrylate and fused silica the cylindrical cavities were obtained with the aspect ratio higher than 200, directed along the laser beam, and microcapillaries with the diameter 1 - 2 μm in the direction, perpendicular to this beam.

  17. Structure of the singularity inside a realistic rotating black hole

    NASA Astrophysics Data System (ADS)

    Ori, Amos

    1992-04-01

    The structure and results of an analysis of the asymptotic behavior of nonlinear, asymmetric, metric perturbations near the Cauchy horizon inside a Kerr black hole are presented. This analysis suggests that metric perturbations, to all orders in the perturbation expansion, are finite and small at the Cauchy horizon, even though their gradients (and the curvature) diverge there. Accordingly, objects which fall into a realistic rotating blackhole a longtime after the collapse will not be crushed by a tidal gravitational deformations as they approach the curvature singularity.

  18. Natriuretic peptides modify Pseudomonas fluorescens cytotoxicity by regulating cyclic nucleotides and modifying LPS structure

    PubMed Central

    Veron, Wilfried; Orange, Nicole; Feuilloley, Marc GJ; Lesouhaitier, Olivier

    2008-01-01

    Background Nervous tissues express various communication molecules including natriuretic peptides, i.e. Brain Natriuretic Peptide (BNP) and C-type Natriuretic Peptide (CNP). These molecules share structural similarities with cyclic antibacterial peptides. CNP and to a lesser extent BNP can modify the cytotoxicity of the opportunistic pathogen Pseudomonas aeruginosa. The psychrotrophic environmental species Pseudomonas fluorescens also binds to and kills neurons and glial cells, cell types that both produce natriuretic peptides. In the present study, we investigated the sensitivity of Pseudomonas fluorescens to natriuretic peptides and evaluated the distribution and variability of putative natriuretic peptide-dependent sensor systems in the Pseudomonas genus. Results Neither BNP nor CNP modified P. fluorescens MF37 growth or cultivability. However, pre-treatment of P. fluorescens MF37 with BNP or CNP provoked a decrease of the apoptotic effect of the bacterium on glial cells and an increase of its necrotic activity. By homology with eukaryotes, where natriuretic peptides act through receptors coupled to cyclases, we observed that cell-permeable stable analogues of cyclic AMP (dbcAMP) and cyclic GMP (8BcGMP) mimicked the effect of BNP and CNP on bacteria. Intra-bacterial concentrations of cAMP and cGMP were measured to study the involvement of bacterial cyclases in the regulation of P. fluorescens cytotoxicity by BNP or CNP. BNP provoked an increase (+49%) of the cAMP concentration in P. fluorescens, and CNP increased the intra-bacterial concentrations of cGMP (+136%). The effect of BNP and CNP on the virulence of P. fluorescens was independent of the potential of the bacteria to bind to glial cells. Conversely, LPS extracted from MF37 pre-treated with dbcAMP showed a higher necrotic activity than the LPS from untreated or 8BcGMP-pre-treated bacteria. Capillary electrophoresis analysis suggests that these different effects of the LPS may be due, at least in part, to

  19. Structural and functional evolution of 2',3'-cyclic nucleotide 3'-phosphodiesterase.

    PubMed

    Myllykoski, Matti; Seidel, Leonie; Muruganandam, Gopinath; Raasakka, Arne; Torda, Andrew E; Kursula, Petri

    2016-06-15

    2',3'-cyclic nucleotide 3'-phosphodiesterase (CNPase) is an abundant membrane-associated enzyme within the vertebrate myelin sheath. While the physiological function of CNPase still remains to be characterized in detail, it is known - in addition to its in vitro enzymatic activity - to interact with other proteins, small molecules, and membrane surfaces. From an evolutionary point of view, it can be deduced that CNPase is not restricted to myelin-forming cells or vertebrate tissues. Its evolution has involved gene fusion, addition of other small segments with distinct functions, such as membrane attachment, and possibly loss of function at the polynucleotide kinase-like domain. Currently, it is unclear whether the enzymatic function of the conserved phosphodiesterase domain in vertebrate myelin has a physiological role, or if CNPase could actually function - like many other classical myelin proteins - in a more structural role. This article is part of a Special Issue entitled SI: Myelin Evolution. PMID:26367445

  20. Structure and composition of silicon microarrays subjected to cyclic insertion and extraction of lithium

    NASA Astrophysics Data System (ADS)

    Astrova, E. V.; Li, G. V.; Parfen'eva, A. V.; Rumyantsev, A. M.; Zhdanov, V. V.; Pavlov, S. I.; Levitskii, V. S.; Terukov, E. I.; Davydov, V. Yu.

    2015-04-01

    The silicon anodes for lithium-ion batteries subjected to cyclic tests of variable duration are studied by electron microscopy, energy-dispersive X-ray analysis, and Raman scattering. It is shown that the discharge capacity of electrodes based on macroporous silicon degrade due to the fracture of silicon walls and the formation of a Si-Li amorphous phase. Both effects arise early on testing. The number of cracks and the degree of disorder of the silicon crystal lattice are found to grow with the number of lithiation cycles and be nonuniformly distributed along the height of the walls. Namely, lithium is incorporated largely into the upper part of the structure adjacent to the separator. The disorder degree of the crystal lattice in the lithiated anodes is compared with that in standard amorphous silicon by analysis of the Raman spectra.

  1. Theoretical predictions of chemical degradation reaction mechanisms of RDX and other cyclic nitramines derived from their molecular structures.

    PubMed

    Qasim, M; Fredrickson, H; McGrath, C; Furey, J; Bajpai, R

    2005-06-01

    Analysis of environmental degradation pathways of contaminants is aided by predictions of likely reaction mechanisms and intermediate products derived from computational models of molecular structure. Quantum mechanical methods and force-field molecular mechanics were used to characterize cyclic nitramines. Likely degradation mechanisms for hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) include hydroxylation utilizing addition of hydroxide ions to initiate proton abstraction via 2nd order rate elimination (E2) or via nucleophilic substitution of nitro groups, reductive chemical and biochemical degradation, and free radical oxidation. Due to structural similarities, it is predicted that, under homologous circumstances, certain RDX environmental degradation pathways should also be effective for octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) and similar cyclic nitramines. Computational models provided a theoretical framework whereby likely transformation mechanisms and transformation products of cyclic nitramines were predicted and used to elucidate in situ degradation pathways. PMID:15804809

  2. Carbon dioxide in an ionic liquid: Structural and rotational dynamics.

    PubMed

    Giammanco, Chiara H; Kramer, Patrick L; Yamada, Steven A; Nishida, Jun; Tamimi, Amr; Fayer, Michael D

    2016-03-14

    Ionic liquids (ILs), which have widely tunable structural motifs and intermolecular interactions with solutes, have been proposed as possible carbon capture media. To inform the choice of an optimal ionic liquid system, it can be useful to understand the details of dynamics and interactions on fundamental time scales (femtoseconds to picoseconds) of dissolved gases, particularly carbon dioxide (CO2), within the complex solvation structures present in these uniquely organized materials. The rotational and local structural fluctuation dynamics of CO2 in the room temperature ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EmimNTf2) were investigated by using ultrafast infrared spectroscopy to interrogate the CO2 asymmetric stretch. Polarization-selective pump probe measurements yielded the orientational correlation function of the CO2 vibrational transition dipole. It was found that reorientation of the carbon dioxide occurs on 3 time scales: 0.91 ± 0.03, 8.3 ± 0.1, 54 ± 1 ps. The initial two are attributed to restricted wobbling motions originating from a gating of CO2 motions by the IL cations and anions. The final (slowest) decay corresponds to complete orientational randomization. Two-dimensional infrared vibrational echo (2D IR) spectroscopy provided information on structural rearrangements, which cause spectral diffusion, through the time dependence of the 2D line shape. Analysis of the time-dependent 2D IR spectra yields the frequency-frequency correlation function (FFCF). Polarization-selective 2D IR experiments conducted on the CO2 asymmetric stretch in the parallel- and perpendicular-pumped geometries yield significantly different FFCFs due to a phenomenon known as reorientation-induced spectral diffusion (RISD), revealing strong vector interactions with the liquid structures that evolve slowly on the (independently measured) rotation time scales. To separate the RISD contribution to the FFCF from the structural spectral

  3. Carbon dioxide in an ionic liquid: Structural and rotational dynamics

    NASA Astrophysics Data System (ADS)

    Giammanco, Chiara H.; Kramer, Patrick L.; Yamada, Steven A.; Nishida, Jun; Tamimi, Amr; Fayer, Michael D.

    2016-03-01

    Ionic liquids (ILs), which have widely tunable structural motifs and intermolecular interactions with solutes, have been proposed as possible carbon capture media. To inform the choice of an optimal ionic liquid system, it can be useful to understand the details of dynamics and interactions on fundamental time scales (femtoseconds to picoseconds) of dissolved gases, particularly carbon dioxide (CO2), within the complex solvation structures present in these uniquely organized materials. The rotational and local structural fluctuation dynamics of CO2 in the room temperature ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (EmimNTf2) were investigated by using ultrafast infrared spectroscopy to interrogate the CO2 asymmetric stretch. Polarization-selective pump probe measurements yielded the orientational correlation function of the CO2 vibrational transition dipole. It was found that reorientation of the carbon dioxide occurs on 3 time scales: 0.91 ± 0.03, 8.3 ± 0.1, 54 ± 1 ps. The initial two are attributed to restricted wobbling motions originating from a gating of CO2 motions by the IL cations and anions. The final (slowest) decay corresponds to complete orientational randomization. Two-dimensional infrared vibrational echo (2D IR) spectroscopy provided information on structural rearrangements, which cause spectral diffusion, through the time dependence of the 2D line shape. Analysis of the time-dependent 2D IR spectra yields the frequency-frequency correlation function (FFCF). Polarization-selective 2D IR experiments conducted on the CO2 asymmetric stretch in the parallel- and perpendicular-pumped geometries yield significantly different FFCFs due to a phenomenon known as reorientation-induced spectral diffusion (RISD), revealing strong vector interactions with the liquid structures that evolve slowly on the (independently measured) rotation time scales. To separate the RISD contribution to the FFCF from the structural spectral

  4. Anisotropic structure of homogeneous turbulence subjected to uniform rotation

    NASA Technical Reports Server (NTRS)

    Cambon, C.; Mansour, N. N.; Squires, K. D.

    1994-01-01

    Large-eddy simulation results are used to investigate the development of anisotropies and the possible transition towards a quasi two-dimensional state in rotating turbulence at high Reynolds number. The present study demonstrates the existence of two transitions that are identified by two Rossby numbers. The first transition marks the onset of anisotropic effects and corresponds to a macro Rossby number Ro(sup L) (based on a longitudinal integral length scale) near unity. A second transition can be defined in terms of a lower bound of micro-Rossby number Ro(sup w) also near unity (defined in this work as the ratio of the rms fluctuating vorticity to background vorticity) and corresponds to a continued development of anisotropy but with an increasing emergence of those indicators based on the pure two-dimensional component of the flow, e.g., integral length scales measured along the rotation axis. Investigation of the vorticity structure shows that the second transition is also characterized by an increasing tendency for alignment between the fluctuating vorticity vector and the basic angular velocity vector with a preference for corotative vorticity.

  5. Structure of merger remnants. II - Progenitors with rotating bulges

    NASA Technical Reports Server (NTRS)

    Hernquist, Lars

    1993-01-01

    Mergers of identical galaxies consisting of self-gravitating disks, bulges, and halos are examined in the context of the suggestion that such events may form elliptical galaxies. Unlike earlier studies, the simulations reported here include effects arising from intrinsic spin of bulges. It is found that the disks and bulges are able to redistribute their angular momentum so that the luminous remnants rotate slowly near their centers. In addition, if the bulges are sufficiently concentrated, the core radii of the remnants are significantly reduced relative to those of end-states formed in mergers between pure stellar disks to the extent that the remnants share structural properties with observed elliptical galaxies. Nevertheless, it does appear that stellar-dynamical mergers between spiral progenitors will represent a viable mechanism for the production of massive elliptical galaxies only if sufficient mass resides already in dense, spheroidal components. These results suggest that any ellipticals formed in this manner having featureless light profiles were victims of a 'disk-bulge conspiracy' analogous to the disk-halo conspiracy thought to give rise to smooth rotation curves in spiral galaxies. Possible observational signatures of mergers are discussed, along with implications of the findings for our understanding of galaxy formation and evolution.

  6. The Equilibrium Structure of Charged Rotating Relativistic Stars

    NASA Astrophysics Data System (ADS)

    Mirza, Babur M.

    General relativistic equilibrium conditions imply that an electrically charged compact star, in a spherically symmetric configuration, can sustain a huge amount of electric charge (up to 1020 C). The equilibrium, however, is reached under very critical conditions such that a perturbation to the stellar structure can cause these systems to collapse. We study the effects of rotation in charged compact stars and obtain conditions, the modified Tolman-Oppenheimer-Volkoff (TOV) equations, under which such stars form a stable gravitational system against Coulomb repulsion. We assume the star to be rotating slowly. We also assume that the charge density is proportional to the mass density everywhere inside the star. The modified TOV equations for hydrostatic equilibrium are integrated numerically for the general equation of state for a polytrope. The detailed numerical study shows that the centrifugal force adds to the Coulomb pressure in the star. In the stable equilibrium configurations, therefore, a loss in stellar mass (energy) density occurs for higher values of the angular frequency. The additional energy is radiated in the form of electrical energy. The stellar radius is also decreased so that the star does not necessarily becomes more compact.

  7. Anisotropic Structure of Rotating Homogeneous Turbulence at High Reynolds Numbers

    NASA Technical Reports Server (NTRS)

    Cambon, Claude; Mansour, Nagi N.; Squires, Kyle D.; Rai, Man Mohan (Technical Monitor)

    1995-01-01

    Large eddy simulation is used to investigate the development of anisotropies and the evolution towards a quasi two-dimensional state in rotating homogeneous turbulence at high Reynolds number. The present study demonstrates the existence of two transitions in the development of anisotropy. The first transition marks the onset of anisotropy and occurs when a macro-Rossby number (based on a longitudinal integral lengthscale) has decreased to near unity while the second transition occurs when a micro-Rossby number (defined in this work as the ratio of the rms fluctuating vorticity to background vorticity) has decreased to unity. The anisotropy marked by the first transition corresponds to a reduction in dimensionality while the second transition corresponds to a polarization of the flow, i.e., relative dominance of the velocity components in the plane normal to the rotation axis. Polarization is reflected by emergence of anisotropy measures based on the two-dimensional component of the turbulence. Investigation of the vorticity structure shows that the second transition is also characterized by an increasing tendency for alignment between the fluctuating vorticity vector and the background angular velocity vector with a preference for corrotative vorticity.

  8. Tetrasulfur, S4: rotational spectrum, interchange tunneling, and geometrical structure.

    PubMed

    McCarthy, M C; Thorwirth, S; Gottlieb, C A; Thaddeus, P

    2004-07-01

    The rotational spectrum of S4 has been observed for the first time in an electrical discharge through sulfur vapor. Two techniques have been used: Fourier transform microwave spectroscopy and long-path millimeter-wave absorption spectroscopy. Small, but systematic shifts of the measured transition frequencies of the normal isotopic species indicate that S4 has C2v symmetry but with a low-lying transition state of D2h symmetry, yielding interchange tunneling at 14.1(2) kHz in its ground vibrational state. From the rotational constants of the normal and the single 34S isotopic species, an experimental (r0) structure has been derived: S4 is a singlet planar trapezoid with a terminal bond length of 1.899(7) A, a central bond of 2.173(32) A, and an S-S-S angle of 103.9(8) degrees. Like thiozone (S3), S4 is a candidate for detection in the atmosphere of the Jovian moon Io and in other astronomical sources. PMID:15260588

  9. Exciton Localization in Extended π-Electron Systems: Comparison of Linear and Cyclic Structures.

    PubMed

    Thiessen, Alexander; Würsch, Dominik; Jester, Stefan-S; Aggarwal, A Vikas; Idelson, Alissa; Bange, Sebastian; Vogelsang, Jan; Höger, Sigurd; Lupton, John M

    2015-07-30

    We employ five π-conjugated model materials of different molecular shape-oligomers and cyclic structures-to investigate the extent of exciton self-trapping and torsional motion of the molecular framework following optical excitation. Our studies combine steady state and transient fluorescence spectroscopy in the ensemble with measurements of polarization anisotropy on single molecules, supported by Monte Carlo simulations. The dimer exhibits a significant spectral red shift within ∼100 ps after photoexcitation which is attributed to torsional relaxation. This relaxation mechanism is inhibited in the structurally rigid macrocyclic analogue. However, both systems show a high degree of exciton localization but with very different consequences: while, in the macrocycle, the exciton localizes randomly on different parts of the ring, scrambling polarization memory, in the dimer, localization leads to a deterministic exciton position with luminescence characteristics of a dipole. Monte Carlo simulations allow us to quantify the structural difference between the emitting and absorbing units of the π-conjugated system in terms of disorder parameters. PMID:26035080

  10. Bacteriocin AS-48, a microbial cyclic polypeptide structurally and functionally related to mammalian NK-lysin

    PubMed Central

    González, Carlos; Langdon, Grant M.; Bruix, Marta; Gálvez, Antonio; Valdivia, Eva; Maqueda, Mercedes; Rico, Manuel

    2000-01-01

    The solution structure of bacteriocin AS-48, a 70-residue cyclic polypeptide from Enterococcus faecalis, consists of a globular arrangement of five α-helices enclosing a compact hydrophobic core. The head-to-tail union lies in the middle of helix 5, a fact that is shown to have a pronounced effect on the stability of the three-dimensional structure. Positive charges in the side chains of residues in helix 4 and in the turn linking helix 4 to helix 5 form a cluster that most probably determine its antibacterial activity by promoting pore formation in cell membranes. A similar five-helix structural motif has been found in the antimicrobial NK-lysin, an effector polypeptide of T and natural killer (NK) cells. Bacteriocin AS-48 lacks the three disulfide bridges characteristic of the saposin fold present in NK-lysin, and has no sequence homology with it. Nevertheless, the similar molecular architecture and high positive charge strongly suggest a common mechanism of antibacterial action. PMID:11005847

  11. Engineering Skills Formation in Britain: Cyclical and Structural Issues. Towards a National Skills Agenda. Skills Task Force Research Paper 7.

    ERIC Educational Resources Information Center

    Mason, Geoff

    Cyclical and structural issues in engineering skills formation in Great Britain were studied through a review of recent employment patterns, income patterns, employment projections, recent trends in education and training, and recent developments in technology and work organization. The review focused on the following issues: (1) the extent and…

  12. Rotational band structure in odd-odd /sup 132/La

    SciTech Connect

    Oliveira, J. R. B.; Emediato, L. G. R.; Rizzutto, M. A.; Ribas, R. V.; Seale, W. A.; Rao, M. N.; Medina, N. H.; Botelho, S.; Cybulska, E. W.

    1989-06-01

    The level scheme of /sup 132/La was obtained with in-beam gamma spectroscopy techniques using fusion evaporation reactions with /sup 10,11/B, /sup 14/N beams and isotopic targets of Te and Sn. Two rotational band structures were seen. One band, assigned to the ..pi../ital h//sub 11/2//direct product/..nu..h/sub 11/2/, shows a smaller signature splitting as compared to the isotones /sup 134/Pr and /sup 136/Pm, indicating a slight reduction of triaxiality. The other band has been tentatively assigned the ..pi..(422)3/2/sup +//direct product/..nu..h/sub 11/2/ configuration, and shows no signature splitting indicating a near prolate shape.

  13. Design maps for failure of all-ceramic layer structures in concentrated cyclic loading

    PubMed Central

    Bhowmick, Sanjit; Meléndez-Martínez, Juan José; Zhang, Yu; Lawn, Brian R.

    2009-01-01

    A study is made of the competition between failure modes in ceramic-based bilayer structures joined to polymer-based substrates, in simulation of dental crown-like structures with a functional but weak “veneer” layer bonded onto a strong “core” layer. Cyclic contact fatigue tests are conducted in water on model flat systems consisting of glass plates joined to glass, sapphire, alumina or zirconia support layers glued onto polycarbonate bases. Critical numbers of cycles to take each crack mode to failure are plotted as a function of peak contact load on failure maps showing regions in which each fracture mode dominates. In low-cycle conditions, radial and outer cone cracks are competitive in specimens with alumina cores, and outer cone cracks prevail in specimens with zirconia cores; in high-cycle conditions, inner cone cracks prevail in all cases. The roles of other factors, e.g. substrate modulus, layer thickness, indenter radius and residual stresses from specimen preparation, are briefly considered. PMID:19562095

  14. Structure Evolution During Cyclic Deformation of an Elastic Propylene-Based Ethylene-Propylene Copolymer

    SciTech Connect

    Toki,S.; Sics, I.; Burger, C.; Fang, D.; Liu, L.; Hsiao, B.; Datta, S.; Tsou, A.

    2006-01-01

    In-situ structural evolution during uniaxial extension and subsequent retraction of a thermoplastic elastomer (TPE) based on propylene-dominant ethylene-propylene (EP) copolymer was studied. Combined measurements of time-resolved wide-angle X-ray diffraction (WAXD) and small-angle X-ray scattering (SAXS) as well as stress-strain curves revealed molecular mechanism responsible for the elastic behavior. During the first cycle of deformation, a fraction of the crystals was destroyed, while the rest was reoriented. At strains larger than 1.0, strain-induced {alpha}-crystals in the lamellar form took place, resulting in the creation of a network with well-oriented lamellae having their normals parallel to the stretching direction. With the increase of strain, more crystals were induced, forming an enhanced network with strain-hardening behavior. During retraction and even after complete relaxation to zero stress, the majority of the strain-induced crystalline network remains in tact as being 'permanent set', where lamellar stacks act as the network points. This strain-induced crystalline network structure is thermally stable at room temperature and is responsible for the elastic behavior during subsequent cyclic deformation, similar to a vulcanized rubber.

  15. Cyclic alternating patterns in normal sleep and insomnia: structure and content differences.

    PubMed

    Chouvarda, Ioanna; Mendez, Martin Oswaldo; Rosso, V; Bianchi, Anna M; Parrino, Liborio; Grassi, Andrea; Terzano, Mario Giovanni; Cerutti, Sergio; Maglaveras, Nicos

    2012-09-01

    This work aims to investigate new markers for the quantitative characterization of insomnia, in the context of sleep microstructure, as expressed by cyclic alternating pattern (CAP) sleep. The study group includes 11 subjects with normal sleep and 10 subjects with diagnosed primary insomnia. Differences between normal sleepers and insomniacs are investigated, in terms of dynamics and content of CAP events. The overall rate of CAP and of different phases is considered. The dynamic in the structure and alternation of CAP events is further studied in different scales by use of wavelet analysis, and calculation of energy/entropy features. The content of CAP events is studied in terms of electroencephalography (EEG) complexity analysis for the different types of events. Statistically significant differences are highlighted, both in structure and content. Besides confirming the increase in CAP rate, main findings regarding the microstructure difference in insomnia include: 1) as regards the deep sleep building phases, more irregular activation-deactivation patterns, with bigger deactivation time, i.e., distance between consecutive activation events, and appearing with higher EEG complexity in deactivation, and 2) a bigger duration of desynchronisation phases, with increased EEG complexity and more irregular patterns. This analysis extends previous findings on the relation between CAPrate increase and sleep instability mechanisms, proposing specific features of CAP that seem to play a role in insomnia (as consistently presented via classification analysis). This opens new perspectives for the understanding of the role of CAP in the quantitative characterization of sleep and its disorders. PMID:22855235

  16. Controlled synthesis of linear and cyclic liquid crystals containing conformationally flexible structural units

    NASA Astrophysics Data System (ADS)

    Asandei, Alexandru Dragos

    This thesis decribes the design, synthesis and characterization of a large variety of molecular, macromolecular and supramolecular liquid crystalline (LC) systems with linear, cyclic, and combinations of linear and cyclic architectures. These structures are based on mesogens that display conformational isomerism. Several series of macrocyclics based on 1-(4-hydroxyphenyl)-2-(2-methyl-4-hydroxyphenyl)ethane (MBPE) and various alpha,omega-dibromoalkanes were synthesized and characterized. These macrocyclics display more stable and broader LC phases than the corresponding linear polymers. Relatively minor modifications in the structure of the mesogen, spacer or microstructure of polymeric chains have a strong effect on the phase behavior of main chain polyethers. This is demonstrated for polymers based on 1-(4-hydroxyphenyl)-2-(4-hydroxy-4'-biphenylyl)butane (TPB') and alpha,omega-dibromoalkanes containing from 4 to 19 methylenic units. A stepwise synthetic procedure is described for the synthesis of a series of LC macrocyclics based of TPB' and 1,10-dibromodecane. Large increases in the yields by comparison with the one-pot method are obtained, and the procedure is also illustrated by the synthesis of the first example of a liquid crystalline bicyclic compound. The stepwise synthesis and characterization of macrocyclic monomers and of the first examples of side chain and main chain LC polymers containing supramolecular mesogens based on collapsed macrocyclics building blocks are described and discussed. An iterative stepwise procedure that allows for an exponential 2spn growth in molecular weight after n synthetic cycles is presented and applied to the synthesis of linear polyethers based on 1-(4-hydroxy-4'-biphenylyl)-2-(4-hydroxyphenyl)butane (TPB) and 1,10-dibromodecane. A library of linear monodisperse oligomers and polymers with a degree of polymerization (DP) up to 33 and with a variety of chain ends was generated, and the dependence of the phase behavior of

  17. Structural, nanomechanical, and computational characterization of D,L-cyclic peptide assemblies.

    PubMed

    Rubin, Daniel J; Amini, Shahrouz; Zhou, Feng; Su, Haibin; Miserez, Ali; Joshi, Neel S

    2015-03-24

    The rigid geometry and tunable chemistry of D,L-cyclic peptides makes them an intriguing building-block for the rational design of nano- and microscale hierarchically structured materials. Herein, we utilize a combination of electron microscopy, nanomechanical characterization including depth sensing-based bending experiments, and molecular modeling methods to obtain the structural and mechanical characteristics of cyclo-[(Gln-D-Leu)4] (QL4) assemblies. QL4 monomers assemble to form large, rod-like structures with diameters up to 2 μm and lengths of tens to hundreds of micrometers. Image analysis suggests that large assemblies are hierarchically organized from individual tubes that undergo bundling to form larger structures. With an elastic modulus of 11.3 ± 3.3 GPa, hardness of 387 ± 136 MPa and strength (bending) of 98 ± 19 MPa the peptide crystals are among the most robust known proteinaceous micro- and nanofibers. The measured bending modulus of micron-scale fibrils (10.5 ± 0.9 GPa) is in the same range as the Young's modulus measured by nanoindentation indicating that the robust nanoscale network from which the assembly derives its properties is preserved at larger length-scales. Materials selection charts are used to demonstrate the particularly robust properties of QL4 including its specific flexural modulus in which it outperforms a number of biological proteinaceous and nonproteinaceous materials including collagen and enamel. The facile synthesis, high modulus, and low density of QL4 fibers indicate that they may find utility as a filler material in a variety of high efficiency, biocompatible composite materials. PMID:25757883

  18. Structural implications of weak Ca2+ block in Drosophila cyclic nucleotide-gated channels.

    PubMed

    Lam, Yee Ling; Zeng, Weizhong; Derebe, Mehabaw Getahun; Jiang, Youxing

    2015-09-01

    Calcium permeability and the concomitant calcium block of monovalent ion current ("Ca(2+) block") are properties of cyclic nucleotide-gated (CNG) channel fundamental to visual and olfactory signal transduction. Although most CNG channels bear a conserved glutamate residue crucial for Ca(2+) block, the degree of block displayed by different CNG channels varies greatly. For instance, the Drosophila melanogaster CNG channel shows only weak Ca(2+) block despite the presence of this glutamate. We previously constructed a series of chimeric channels in which we replaced the selectivity filter of the bacterial nonselective cation channel NaK with a set of CNG channel filter sequences and determined that the resulting NaK2CNG chimeras displayed the ion selectivity and Ca(2+) block properties of the parent CNG channels. Here, we used the same strategy to determine the structural basis of the weak Ca(2+) block observed in the Drosophila CNG channel. The selectivity filter of the Drosophila CNG channel is similar to that of most other CNG channels except that it has a threonine at residue 318 instead of a proline. We constructed a NaK chimera, which we called NaK2CNG-Dm, which contained the Drosophila selectivity filter sequence. The high resolution structure of NaK2CNG-Dm revealed a filter structure different from those of NaK and all other previously investigated NaK2CNG chimeric channels. Consistent with this structural difference, functional studies of the NaK2CNG-Dm chimeric channel demonstrated a loss of Ca(2+) block compared with other NaK2CNG chimeras. Moreover, mutating the corresponding threonine (T318) to proline in Drosophila CNG channels increased Ca(2+) block by 16 times. These results imply that a simple replacement of a threonine for a proline in Drosophila CNG channels has likely given rise to a distinct selectivity filter conformation that results in weak Ca(2+) block. PMID:26283200

  19. Structure and Energetics of Allosteric Regulation of HCN2 Ion Channels by Cyclic Nucleotides*

    PubMed Central

    DeBerg, Hannah A.; Brzovic, Peter S.; Flynn, Galen E.; Zagotta, William N.; Stoll, Stefan

    2016-01-01

    Hyperpolarization-activated cyclic nucleotide-gated (HCN) ion channels play an important role in regulating electrical activity in the heart and brain. They are gated by the binding of cyclic nucleotides to a conserved, intracellular cyclic nucleotide-binding domain (CNBD), which is connected to the channel pore by a C-linker region. Binding of cyclic nucleotides increases the rate and extent of channel activation and shifts it to less hyperpolarized voltages. We probed the allosteric mechanism of different cyclic nucleotides on the CNBD and on channel gating. Electrophysiology experiments showed that cAMP, cGMP, and cCMP were effective agonists of the channel and produced similar increases in the extent of channel activation. In contrast, electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) on the isolated CNBD indicated that the induced conformational changes and the degrees of stabilization of the active conformation differed for the three cyclic nucleotides. We explain these results with a model where different allosteric mechanisms in the CNBD all converge to have the same effect on the C-linker and render all three cyclic nucleotides similarly potent activators of the channel. PMID:26559974

  20. Structure and Energetics of Allosteric Regulation of HCN2 Ion Channels by Cyclic Nucleotides.

    PubMed

    DeBerg, Hannah A; Brzovic, Peter S; Flynn, Galen E; Zagotta, William N; Stoll, Stefan

    2016-01-01

    Hyperpolarization-activated cyclic nucleotide-gated (HCN) ion channels play an important role in regulating electrical activity in the heart and brain. They are gated by the binding of cyclic nucleotides to a conserved, intracellular cyclic nucleotide-binding domain (CNBD), which is connected to the channel pore by a C-linker region. Binding of cyclic nucleotides increases the rate and extent of channel activation and shifts it to less hyperpolarized voltages. We probed the allosteric mechanism of different cyclic nucleotides on the CNBD and on channel gating. Electrophysiology experiments showed that cAMP, cGMP, and cCMP were effective agonists of the channel and produced similar increases in the extent of channel activation. In contrast, electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) on the isolated CNBD indicated that the induced conformational changes and the degrees of stabilization of the active conformation differed for the three cyclic nucleotides. We explain these results with a model where different allosteric mechanisms in the CNBD all converge to have the same effect on the C-linker and render all three cyclic nucleotides similarly potent activators of the channel. PMID:26559974

  1. Vibration-rotation spectra of deuterated hypochlorous acid and the determination of the equilibrium structure

    NASA Astrophysics Data System (ADS)

    Deeley, C. M.

    1987-04-01

    Vibration-rotation spectra of the three fundamental vibrations of D 16O 35Cl have been measured at a resolution of 0.01 cm -1 to determine vibration-rotation constants. From these results values for the equilibrium rotational constants have been established and used, in conjunction with the equilibrium rotational constants for H 16O 35Cl (C. M. Deeley and I. M. Mills, J. Mol. Spectrosc.114, 368-376 (1985)), to determine the equilibrium structure of hypochlorous acid.

  2. Occurrence and structure of cyclic Enterobacterial Common Antigen in Escherichia coli O157:H⁻.

    PubMed

    Fregolino, Eleonora; Ivanova, Radka; Lanzetta, Rosa; Molinaro, Antonio; Parrilli, Michelangelo; Paunova-Krasteva, Tsvetelina; Stoitsova, Stoyanka R; De Castro, Cristina

    2012-12-01

    Two cyclic forms of the Enterobacterial Common Antigen were isolated from Escherichia coli O157:H(-). These antigenic determinants were purified from the biomass through extensive chemical, enzymatic and chromatographic procedures whereas MALDI MS spectrometry indicated their cyclic nature with a polymerization degree of 4 or 5. The two species, denoted as ECA(CYC-4) and ECA(CYC-5), were assigned by NMR and showed no further substitution with other appendages such as acetyl groups as usually described for similar cyclic antigens from other Enterobacteriaceae. PMID:23103511

  3. Diagnostics for piezoelectric transducers under cyclic loads deployed for structural health monitoring applications

    NASA Astrophysics Data System (ADS)

    Taylor, Stuart G.; Park, Gyuhae; Farinholt, Kevin M.; Todd, Michael D.

    2013-02-01

    Accurate sensor self-diagnostics are a key component of successful structural health monitoring (SHM) systems. Transducer failure can be a significant source of failure in SHM systems, and neglecting to incorporate an adequate sensor diagnostics capability can lead to false positives in damage detection. Any permanently installed SHM system will thus require the ability to accurately monitor the health of the sensors themselves, so that when deviations in baseline measurements are observed, one can clearly distinguish between structural changes and sensor malfunction. This paper presents an overview of sensor diagnostics for active-sensing SHM systems employing piezoelectric transducers, and it reviews the sensor diagnostics results from an experimental case study in which a 9 m wind turbine rotor blade was dynamically loaded in a fatigue test until reaching catastrophic failure. The fatigue test for this rotor blade was unexpectedly long, requiring more than 8 million fatigue cycles before failure. Based on previous experiments, it was expected that the rotor blade would reach failure near 2 million fatigue cycles. Several sensors failed in the course of this much longer than expected test, although 48 out of 49 installed piezoelectric transducers survived beyond the anticipated 2 million fatigue cycles. Of the transducers that did fail in the course of the test, the sensor diagnostics methods presented here were effective in identifying them for replacement and/or data cleansing. Finally, while most sensor diagnostics studies have been performed in a controlled, static environment, some data in this study were collected as the rotor blade underwent cyclic loading, resulting in nonstationary structural impedance. This loading condition motivated the implementation of a new, additional data normalization step for sensor diagnostics with piezoelectric transducers in operational environments.

  4. The Structural Basis of Cyclic Diguanylate Signal Transduction by PilZ Domains

    SciTech Connect

    Benach,J.; Swaminathan, S.; Tamayo, R.; Handelman, S.; Folta-Stogniew, E.; Ramos, J.; Forouhar, F.; Neely, H.; Seetharaman, J.; et al

    2007-01-01

    The second messenger cyclic diguanylate (c-di-GMP) controls the transition between motile and sessile growth in eubacteria, but little is known about the proteins that sense its concentration. Bioinformatics analyses suggested that PilZ domains bind c-di-GMP and allosterically modulate effector pathways. We have determined a 1.9 Angstroms crystal structure of c-di-GMP bound to VCA0042/PlzD, a PilZ domain-containing protein from Vibrio cholerae. Either this protein or another specific PilZ domain-containing protein is required for V. cholerae to efficiently infect mice. VCA0042/PlzD comprises a C-terminal PilZ domain plus an N-terminal domain with a similar beta-barrel fold. C-di-GMP contacts seven of the nine strongly conserved residues in the PilZ domain, including three in a seven-residue long N-terminal loop that undergoes a conformational switch as it wraps around c-di-GMP. This switch brings the PilZ domain into close apposition with the N-terminal domain, forming a new allosteric interaction surface that spans these domains and the c-di-GMP at their interface. The very small size of the N-terminal conformational switch is likely to explain the facile evolutionary diversification of the PilZ domain.

  5. Chemical modification and structure-activity relationships of pyripyropenes. 2. 1,11-Cyclic analogs.

    PubMed

    Obata, R; Sunazuka, T; Kato, Y; Tomoda, H; Harigaya, Y; Omura, S

    1996-11-01

    A series of 1,11-cyclic analogs of pyripyropene A were prepared. Replacement of the 1,11-acyl groups of pyripyropenes with 1,11-cyclic acetals effectively improved in vitro acyl CoA:cholesterol acyltransferase (ACAT) inhibitory activity. Especially noteworthy is benzylidene acetal analog 35, the most potent inhibitor (IC50 = 5.6 nM) among the derivatives prepared so far, which showed 16 times more potent inhibitory activity than pyripyropene A. PMID:8982344

  6. Structural strength of cancellous specimens from bovine femur under cyclic compression

    PubMed Central

    Endo, Kaori; Yamada, Satoshi; Todoh, Masahiro; Takahata, Masahiko; Iwasaki, Norimasa

    2016-01-01

    The incidence of osteoporotic fractures was estimated as nine million worldwide in 2000, with particular occurrence at the proximity of joints rich in cancellous bone. Although most of these fractures spontaneously heal, some fractures progressively collapse during the early post-fracture period. Prediction of bone fragility during progressive collapse following initial fracture is clinically important. However, the mechanism of collapse, especially the gradual loss of the height in the cancellous bone region, is not clearly proved. The strength of cancellous bone after yield stress is difficult to predict since structural and mechanical strength cannot be determined a priori. The purpose of this study was to identify whether the baseline structure and volume of cancellous bone contributed to the change in cancellous bone strength under cyclic loading. A total of fifteen cubic cancellous bone specimens were obtained from two 2-year-old bovines and divided into three groups by collection regions: femoral head, neck, and proximal metaphysis. Structural indices of each 5-mm cubic specimen were determined using micro-computed tomography. Specimens were then subjected to five cycles of uniaxial compressive loading at 0.05 mm/min with initial 20 N loading, 0.3 mm displacement, and then unloading to 0.2 mm with 0.1 mm displacement for five successive cycles. Elastic modulus and yield stress of cancellous bone decreased exponentially during five loading cycles. The decrease ratio of yield stress from baseline to fifth cycle was strongly correlated with bone volume fraction (BV/TV, r = 0.96, p < 0.01) and structural model index (SMI, r = − 0.81, p < 0.01). The decrease ratio of elastic modulus from baseline to fifth cycle was also correlated with BV/TV (r = 0.80, p < 0.01) and SMI (r = − 0.78, p < 0.01). These data indicate that structural deterioration of cancellous bone is associated with bone strength after yield stress. This study suggests that baseline cancellous

  7. A statistical study of magnetopause structures: Tangential versus rotational discontinuities

    NASA Astrophysics Data System (ADS)

    Chou, Y.-C.; Hau, L.-N.

    2012-08-01

    A statistical study of the structure of Earth's magnetopause is carried out by analyzing two-year AMPTE/IRM plasma and magnetic field data. The analyses are based on the minimum variance analysis (MVA), the deHoffmann-Teller (HT) frame analysis and the Walén relation. A total of 328 magnetopause crossings are identified and error estimates associated with MVA and HT frame analyses are performed for each case. In 142 out of 328 events both MVA and HT frame analyses yield high quality results which are classified as either tangential-discontinuity (TD) or rotational-discontinuity (RD) structures based only on the Walén relation: Events withSWA ≤ 0.4 (SWA ≥ 0.5) are classified as TD (RD), and rest (with 0.4 < SWA < 0.5) is classified as "uncertain," where SWA refers to the Walén slope. With this criterion, 84% of 142 events are TDs, 12% are RDs, and 4% are uncertain events. There are a large portion of TD events which exhibit a finite normal magnetic field component Bnbut have insignificant flow as compared to the Alfvén velocity in the HT frame. Two-dimensional Grad-Shafranov reconstruction of forty selected TD and RD events show that single or multiple X-line accompanied with magnetic islands are common feature of magnetopause current. A survey plot of the HT velocity associated with TD structures projected onto the magnetopause shows that the flow is diverted at the subsolar point and accelerated toward the dawn and dusk flanks.

  8. Hierarchical spatial structure of genetically variable nucleopolyhedroviruses infecting cyclic populations of western tent caterpillars.

    PubMed

    Cooper, Dawn; Cory, Jenny S; Myers, Judith H

    2003-04-01

    The cyclic population dynamics of western tent caterpillars, Malacosoma californicum pluviale, are associated with epizootics of a nucleopolyhedrovirus, McplNPV. Given the dynamic fluctuations in host abundance and levels of viral infection, host resistance and virus virulence might be expected to change during different phases of the cycle. As a first step in determining if McplNPV virulence and population structure change with host density, we used restriction fragment length polymorphism (RFLP) analysis to examine the genetic diversity of McplNPV infecting western tent caterpillar populations at different spatial scales. Thirteen dominant genetic variants were identified in 39 virus isolates (individual larvae) collected from field populations during one year of low host density, and another distinct variant was discovered among nine additional isolates in two subsequent years of declining host density. The distribution of these genetic variants was not random and indicated that the McplNPV population was structured at several spatial levels. A high proportion of the variation could be explained by family grouping, which suggested that isolates collected within a family were more likely to be the same than isolates compared among populations. Additionally, virus variants from within populations (sites) were more likely to be the same than isolates collected from tent caterpillar populations on different islands. This may indicate that there is limited mixing of virus among tent caterpillar families and populations when host population density is low. Thus there is potential for the virus to become locally adapted to western tent caterpillar populations in different sites. However, no dominant genotype was observed at any site. Whether and how selection acts on the genetically diverse nucleopolyhedrovirus populations as host density changes will be investigated over the next cycle of tent caterpillar populations. PMID:12753209

  9. Rollback of the Rotating Service Structure from Space Shuttle Discovery

    NASA Technical Reports Server (NTRS)

    1999-01-01

    The Rotating Service Structure is rolled back at Launch Pad 39B to reveal the Space Shuttle Discovery, scheduled to launch on mission STS-96 at 6:49 a.m. EDT on May 27. STS-96 is a 10-day logistics and resupply mission for the International Space Station, carrying about 4,000 pounds of supplies to be stored aboard the station, for use by future crews, including laptop computers, cameras, tools, spare parts, and clothing. The mission also includes such payloads as a Russian crane, the Strela; a U.S.-built crane; the Spacehab Oceaneering Space System Box (SHOSS), a logistics items carrier; and STARSHINE, a student- involved experiment. The mission will include a space walk to attach the cranes to the outside of the ISS for use in future construction. Space Shuttle Discovery is due to launch on May 27 at 6:49 a.m. EDT. Landing is expected at the SLF on June 6 about 1:58 a.m. EDT.

  10. Rollback of the Rotating Service Structure from Space Shuttle Discovery

    NASA Technical Reports Server (NTRS)

    1999-01-01

    Rollback of the Rotating Service Structure on Launch Pad 39B reveals the Space Shuttle Discovery, scheduled to launch on mission STS-96 at 6:49 a.m. EDT on May 27. Above the top of the external tank is the external tank gaseous oxygen vent arm, with a vent hood, known as the 'beanie cap,' at the outer end. Below it up against Discovery is the orbiter access arm, which allows entry into the orbiter crew compartment. through an environmental chamber or 'white room' at the outer end. STS-96 is a 10-day logistics and resupply mission for the International Space Station, carrying about 4,000 pounds of supplies to be stored aboard the station, for use by future crews, including laptop computers, cameras, tools, spare parts, and clothing. The mission also includes such payloads as a Russian crane, the Strela; a U.S.-built crane; the Spacehab Oceaneering Space System Box (SHOSS), a logistics items carrier; and STARSHINE, a student- involved experiment. The mission will include a space walk to attach the cranes to the outside of the ISS for use in future construction. Space Shuttle Discovery is due to launch on May 27 at 6:49 a.m. EDT. Landing is expected at the SLF on June 6 about 1:58 a.m. EDT.

  11. Magnetic field structure evolution in rotating magnetic field plasmas

    SciTech Connect

    Petrov, Yuri; Yang Xiaokang; Huang, T.-S.

    2008-07-15

    A study of magnetic field structure evolution during 40-ms plasma discharge has been performed in a new device with 80 cm long/40 cm diameter cylindrical chamber, in which a plasma current I{sub p}{approx_equal}2 kA was driven and sustained by a rotating magnetic field. The main focus of the experiments is on how the changes in externally applied magnetic field affect the current profile and magnetic field in plasma. During plasma discharge, a pulse current was briefly fed to a magnetic coil located at the midplane (middle coil). The magnetic field in cross section of plasma was scanned with pickup probes. Two regimes were studied: without and with an external toroidal field (TF) produced by axial I{sub z} current. With a relatively small current (I{sub m} {<=} 600 A) in the middle coil, the plasma current is boosted up to 5 kA. The magnetic flux surfaces become extended along the axial Z direction, sometimes with the formation of doublet shape plasma. The regime without TF appears to be less stable, presumably due to the reversal of plasma current in central area of plasma column.

  12. Structural response of a rotating bladed disk to rotor whirl

    NASA Technical Reports Server (NTRS)

    Crawley, E. F.

    1985-01-01

    A set of high speed rotating whirl experiments were performed in the vacuum of the MIT Blowdown Compressor Facility on the MIT Aeroelastic Rotor, which is structurally typical of a modern high bypass ratio turbofan stage. These tests identified the natural frequencies of whirl of the rotor system by forcing its response using an electromagnetic shaker whirl excitation system. The excitation was slowly swept in frequency at constant amplitude for several constant rotor speeds in both a forward and backward whirl direction. The natural frequencies of whirl determined by these experiments were compared to those predicted by an analytical 6 DOF model of a flexible blade-rigid disk-flexible shaft rotor. The model is also presented in terms of nondimensional parameters in order to assess the importance of the interation between the bladed disk dynamics and the shaft-disk dynamics. The correlation between the experimental and predicted natural frequencies is reasonable, given the uncertainty involved in determining the stiffness parameters of the system.

  13. A Laboratory Study of Vortical Structures in Rotating Convection Plumes

    NASA Astrophysics Data System (ADS)

    Fu, Hao; Sun, Shiwei; Wang, Yuan; Zhou, Bowen; Thermal Turbulence Research Team

    2015-11-01

    A laboratory study of the columnar vortex structure in rotating Rayleigh-Bénard convection is conducted. A rectangular water tank is uniformly heated from below and cooled from above, with Ra = (6 . 35 +/- 0 . 77) ×107 , Ta = 9 . 84 ×107 , Pr = 7 . 34 . The columnar vortices are vertically aligned and quasi steady. Two 2D PIV systems were used to measure velocity field. One system performs horizontal scans at 9 different heights every 13.6s, covering 62% of the total depth. The other system scans vertically to obtain the vertical velocity profile. The measured vertical vorticity profiles of most vortices are quasi-linear with height while the vertical velocities are nearly uniform with only a small curvature. A simple model to deduce vertical velocity profile from vertical vorticity profile is proposed. Under quasi-steady and axisymmetric conditions, a ``vortex core'' assumption is introduced to simplify vertical vorticity equation. A linear ODE about vertical velocity is obtained whenever a vertical vorticity profile is given and solved with experimental data as input. The result is approximately in agreement with the measurement. This work was supported by Undergraduates Training Project (J1103410).

  14. Ligand-induced structural changes in the cyclic nucleotide-modulated potassium channel MloK1

    NASA Astrophysics Data System (ADS)

    Kowal, Julia; Chami, Mohamed; Baumgartner, Paul; Arheit, Marcel; Chiu, Po-Lin; Rangl, Martina; Scheuring, Simon; Schröder, Gunnar F.; Nimigean, Crina M.; Stahlberg, Henning

    2014-01-01

    Cyclic nucleotide-modulated ion channels are important for signal transduction and pacemaking in eukaryotes. The molecular determinants of ligand gating in these channels are still unknown, mainly because of a lack of direct structural information. Here we report ligand-induced conformational changes in full-length MloK1, a cyclic nucleotide-modulated potassium channel from the bacterium Mesorhizobium loti, analysed by electron crystallography and atomic force microscopy. Upon cAMP binding, the cyclic nucleotide-binding domains move vertically towards the membrane, and directly contact the S1-S4 voltage sensor domains. This is accompanied by a significant shift and tilt of the voltage sensor domain helices. In both states, the inner pore-lining helices are in an ‘open’ conformation. We propose a mechanism in which ligand binding can favour pore opening via a direct interaction between the cyclic nucleotide-binding domains and voltage sensors. This offers a simple mechanistic hypothesis for the coupling between ligand gating and voltage sensing in eukaryotic HCN channels.

  15. Cryogenic Spectroscopy and Quantum Molecular Dynamics Determine the Structure of Cyclic Intermediates Involved in Peptide Sequence Scrambling.

    PubMed

    Aseev, Oleg; Perez, Marta A S; Rothlisberger, Ursula; Rizzo, Thomas R

    2015-07-01

    Collision-induced dissociation (CID) is a key technique used in mass spectrometry-based peptide sequencing. Collisionally activated peptides undergo statistical dissociation, forming a series of backbone fragment ions that reflect their amino acid (AA) sequence. Some of these fragments may experience a "head-to-tail" cyclization, which after proton migration, can lead to the cyclic structure opening in a different place than the initially formed bond. This process leads to AA sequence scrambling that may hinder sequencing of the initial peptide. Here we combine cryogenic ion spectroscopy and ab initio molecular dynamics simulations to isolate and characterize the precise structures of key intermediates in the scrambling process. The most stable peptide fragments show intriguing symmetric cyclic structures in which the proton is situated on a C2 symmetry axis and forms exceptionally short H-bonds (1.20 Å) with two backbone oxygens. Other nonsymmetric cyclic structures also exist, one of which is protonated on the amide nitrogen, where ring opening is likely to occur. PMID:26266729

  16. Nonlinear dynamics and anisotropic structure of rotating sheared turbulence.

    PubMed

    Salhi, A; Jacobitz, F G; Schneider, K; Cambon, C

    2014-01-01

    Homogeneous turbulence in rotating shear flows is studied by means of pseudospectral direct numerical simulation and analytical spectral linear theory (SLT). The ratio of the Coriolis parameter to shear rate is varied over a wide range by changing the rotation strength, while a constant moderate shear rate is used to enable significant contributions to the nonlinear interscale energy transfer and to the nonlinear intercomponental redistribution terms. In the destabilized and neutral cases, in the sense of kinetic energy evolution, nonlinearity cannot saturate the growth of the largest scales. It permits the smallest scale to stabilize by a scale-by-scale quasibalance between the nonlinear energy transfer and the dissipation spectrum. In the stabilized cases, the role of rotation is mainly nonlinear, and interacting inertial waves can affect almost all scales as in purely rotating flows. In order to isolate the nonlinear effect of rotation, the two-dimensional manifold with vanishing spanwise wave number is revisited and both two-component spectra and single-point two-dimensional energy components exhibit an important effect of rotation, whereas the SLT as well as the purely two-dimensional nonlinear analysis are unaffected by rotation as stated by the Proudman theorem. The other two-dimensional manifold with vanishing streamwise wave number is analyzed with similar tools because it is essential for any shear flow. Finally, the spectral approach is used to disentangle, in an analytical way, the linear and nonlinear terms in the dynamical equations. PMID:24580333

  17. Electronic structures of new π-conjugated cyclic polymers with quinoid structures

    NASA Astrophysics Data System (ADS)

    Hong, Sung Y.; Kwon, Si J.; Kim, Shi C.

    1995-08-01

    Geometrical and electronic structures of new π-conjugated five-membered ring polymers were theoretically investigated. These polymers are analogous to heterocyclic polymers, but adopt as bridging groups ≳CH2, ≳CF2, ≳SiH2, ≳SiF2, ≳C=CH2, ≳C=O and ≳C=S moieties instead of heteroatoms. The ground-state geometries of the polymers were predicted to be quinoid from semiempirical band calculations with AM1 Hamiltonian. The electronic properties of these systems were obtained using the modified extended Hückel method. The calculated band gaps (Eg) were analyzed in terms of geometrical relaxations and electronic effect of the bridging groups using the equation of Eg=ΔEδr+ΔE1-4+ΔEel. The effect of bond-length alternation (ΔEδr) amounts to 1.1-1.4 eV for the aromatic forms and 1.8-1.9 eV for the quinoid forms of the polymers. The interactions (ΔE1-4) between C1 and C4 atoms of the cis-PA type backbone tend to decrease the band gaps of the aromatic forms and to increase the gaps of the quinoid forms as much as 0.2-0.5 eV, depending on the size of a bridging atom. It is found that the electronic effect (ΔEel) of these bridging groups is quite small compared to that found in heterocyclic polymers such as polythiophene, polypyrrole, and polyfuran. ΔEel of ≳CF2, ≳SiH2, and ≳SiF2 bridging groups are negligible and that of the other groups amounts to 0.3-1.0 eV. Therefore, the band gaps of these systems almost correspond to the ΔEδr values which arise from the bond-length alternations, except the case of the polymers with ≳C=O and ≳C=S bridging groups whose π* orbitals strongly interact with the π system of the polymeric backbone.

  18. A Rayleigh-Ritz approach to the synthesis of large structures with rotating flexible components

    NASA Technical Reports Server (NTRS)

    Meirovitch, L.; Hale, A. L.

    1976-01-01

    The equations of motion for large structures with rotating flexible components are derived by regarding the structure as an assemblage of substructures. Based on a stationarity principle for rotating structures, it is shown that each continuous or discrete substructure can be simulated by a suitable set of admissible functions or admissible vectors. This substructure synthesis approach provides a rational basis for truncating the number of degrees of freedom both of each substructure and of the assembled structure.

  19. Stellar structures and the enigma of pulsars rotation frequency decay

    NASA Astrophysics Data System (ADS)

    de Oliveira, H. O.; Marinho, R. M., Jr.; Maglhaes, N. S.

    2015-07-01

    Pulsars are astrophysical objects normally modelled as compact neutron stars that originated from the collapse of another star. This model, that we name canonical, assumes that pulsars are described by spherical magnetized dipoles that rotate, usually with the magnetic axis misaligned to the rotation axis. This misalignment would be responsible for the observation of radiation emitted in well-defined time intervals in a certain direction (lighthouse effect), the typical observational characteristic of this kind of star. It has been noticed that the rotation frequency of pulsars is slowly decaying with time (spin down), implying a gradual decrease of the rotational angular velocity (Ω). Such decay can be quantified by a dimensionless parameter called “braking index” (“n”), given by n = ΩΩ/(Ω)2, where a dot indicates a time derivative. The canonical model predicts that this index has one only value for all pulsars, equal to three. However, observational data indicate that actual braking indices are less than three, representing an enigma. The main goal of this research is the exploration of a more precise model for pulsars’ rotation frequency decay.

  20. Experimental study on active structural acoustic control of rotating machinery using rotating piezo-based inertial actuators

    NASA Astrophysics Data System (ADS)

    Zhao, G.; Alujević, N.; Depraetere, B.; Pinte, G.; Swevers, J.; Sas, P.

    2015-07-01

    In this paper, two Piezo-Based Rotating Inertial Actuators (PBRIAs) are considered for the suppression of the structure-borne noise radiated from rotating machinery. As add-on devices, they can be directly mounted on a rotational shaft, in order to intervene as early as possible in the transfer path between disturbance and the noise radiating surfaces. A MIMO (Multi-Input-Multi-Output) form of the FxLMS control algorithm is employed to generate the appropriate actuation signals, relying on a linear interpolation scheme to approximate time varying secondary plants. The proposed active vibration control approach is tested on an experimental test bed comprising a rotating shaft mounted in a frame to which a noise-radiating plate is attached. The disturbance force is introduced by an electro-dynamic shaker. The experimental results show that when the shaft spins below 180 rpm, more than a 7 dB reduction can be achieved in terms of plate vibrations, along with a reduction in the same order of magnitude in terms of noise radiation.

  1. Block rotation by strike-slip faulting - Structural and paleomagnetic evidence

    NASA Technical Reports Server (NTRS)

    Ron, H.; Garfunkel, Z.; Nur, A.; Freund, R.

    1984-01-01

    The magnitude and sense of block rotations depicted from such structural data as fault spacing and slip are noted to agree with values obtained from independent paleomagnetic determinations. The agreement between paleomagnetic rotation data and those inferred from offset and spacing data in northern Israel is excellent, suggesting that the faults and intervening blocks were rotated with progressive deformation along the levant transform. It is suggested that the rotation of blocks and the strike-slip displacement are two qualitative and quantitative contemporaneous aspects of a single deformation process.

  2. Effect of substrate rotation on domain structure and magnetic relaxation in magnetic antidot lattice arrays

    SciTech Connect

    Mallick, Sougata; Mallik, Srijani; Bedanta, Subhankar

    2015-08-28

    Microdimensional triangular magnetic antidot lattice arrays were prepared by varying the speed of substrate rotation. The pre-deposition patterning has been performed using photolithography technique followed by a post-deposition lift-off. Surface morphology taken by atomic force microscopy depicted that the growth mechanism of the grains changes from chain like formation to island structures due to the substrate rotation. Study of magnetization reversal via magneto optic Kerr effect based microscopy revealed reduction of uniaxial anisotropy and increase in domain size with substrate rotation. The relaxation measured under constant magnetic field becomes faster with rotation of the substrate during deposition. The nature of relaxation for the non-rotating sample can be described by a double exponential decay. However, the relaxation for the sample with substrate rotation is well described either by a double exponential or a Fatuzzo-Labrune like single exponential decay, which increases in applied field.

  3. Rotational coherence spectroscopy and structure of phenol dimer

    NASA Astrophysics Data System (ADS)

    Connell, L. L.; Ohline, S. M.; Joireman, P. W.; Corcoran, T. C.; Felker, P. M.

    1992-02-01

    Rotational coherence spectroscopy has been used to measure the rotational constants of four isotopomers of phenol dimer and a single isotopomer of p-cresol dimer. From the results of these measurements, together with spectroscopic results reported by others, a geometry for phenol dimer is deduced. The species is found to be bound by an O-HṡṡṡO hydrogen bond. The orientation of the phenyl moieties is such that they make maximal contact consistent with the constraints imposed by the hydrogen bond and by the van der Waals radii of the atoms. This geometric feature is cited as evidence for the significance of aromatic-aromatic attraction in the intermolecular interaction between the phenols.

  4. Structure parameters in rotating Couette-Poiseuille channel flow

    NASA Technical Reports Server (NTRS)

    Knightly, George H.; Sather, D.

    1986-01-01

    It is well-known that a number of steady state problems in fluid mechanics involving systems of nonlinear partial differential equations can be reduced to the problem of solving a single operator equation of the form: v + lambda Av + lambda B(v) = 0, v is the summation of H, lambda is the summation of one-dimensional Euclid space, where H is an appropriate (real or complex) Hilbert space. Here lambda is a typical load parameter, e.g., the Reynolds number, A is a linear operator, and B is a quadratic operator generated by a bilinear form. In this setting many bifurcation and stability results for problems were obtained. A rotating Couette-Poiseuille channel flow was studied, and it showed that, in general, the superposition of a Poiseuille flow on a rotating Couette channel flow is destabilizing.

  5. Faraday Structure of the Jets of the Microquasar SS433. I. Rotation Measure Distribution

    NASA Astrophysics Data System (ADS)

    Kosowsky, Michael; Roberts, David H.; Wardle, John F. C.

    2014-06-01

    We report a detailed study of the Faraday rotation in the jets of SS433 using five epochs of data from the Jansky VLA. Observations spanning 4.5-8.5 GHz were used to create linear polarization images in multiple spectral windows using CASA, and the data passed to AIPS for analysis. We used both the traditional rotation measure derivation task RM and the Faraday rotation measure synthesis task FARS to derive the distribution of the Faraday rotation measure ("RM") across the source. We find it to be non-uniform, indicating that at least part of the RM is local to the source. We track the evolution of the RM structure over a period of about 50 days and find significant changes, further supporting the local origin of some of the rotation. In a companion paper we attempt to correlate the RM structure with the well-known 3-D morphology of the jets.

  6. Solution structure of the squash trypsin inhibitor MCoTI-II. A new family for cyclic knottins.

    PubMed

    Heitz, A; Hernandez, J F; Gagnon, J; Hong, T T; Pham, T T; Nguyen, T M; Le-Nguyen, D; Chiche, L

    2001-07-10

    The "knottin" fold is a stable cysteine-rich scaffold, in which one disulfide crosses the macrocycle made by two other disulfides and the connecting backbone segments. This scaffold is found in several protein families with no evolutionary relationships. In the past few years, several homologous peptides from the Rubiaceae and Violaceae families were shown to define a new structural family based on macrocyclic knottin fold. We recently isolated from Momordica cochinchinensis seeds the first known macrocyclic squash trypsin inhibitors. These compounds are the first members of a new family of cyclic knottins. In this paper, we present NMR structural studies of one of them, MCoTI-II, and of a beta-Asp rearranged form, MCoTI-IIb. Both compounds display similar and well-defined conformations. These cyclic squash inhibitors share a similar conformation with noncyclic squash inhibitors such as CPTI-II, and it is postulated that the main effect of the cyclization is a reduced sensitivity to exo-proteases. On the contrary, clear differences were detected with the three-dimensional structures of other known cyclic knottins, i.e., kalata B1 or circulin A. The two-disulfide cystine-stabilized beta-sheet motif [Heitz et al. (1999) Biochemistry 38, 10615-10625] is conserved in the two families, whereas in the C-to-N linker, one disulfide bridge and one loop are differently located. The molecular surface of MCoTI-II is almost entirely charged in contrast to circulin A that displays a well-marked amphiphilic character. These differences might explain why the isolated macrocyclic squash inhibitors from M. cochinchinensis display no significant antibacterial activity, whereas circulins and kalata B1 do. PMID:11434766

  7. ROTATION OF COMET 103P/HARTLEY 2 FROM STRUCTURES IN THE COMA

    SciTech Connect

    Samarasinha, Nalin H.; Mueller, Beatrice E. A.; A'Hearn, Michael F.; Farnham, Tony L.; Gersch, Alan

    2011-06-10

    The CN coma structure of the NASA EPOXI mission target, comet 103P/Hartley 2, was observed during 20 nights from 2010 September to December. These CN images probe the rotational state of the comet's nucleus and provide a ground-based observational context to complement the EPOXI observations. A dynamically excited cometary nucleus with a changing rotational rate is observed, a characteristic not seen in any comet in the past. The lack of rotational damping during the four-month observing interval places constraints on the interior structure of the nucleus.

  8. Synthesis of oligosaccharides corresponding to Vibrio cholerae O139 polysaccharide structures containing dideoxy sugars and a cyclic phosphate.

    PubMed

    Turek, Dominika; Sundgren, Andreas; Lahmann, Martina; Oscarson, Stefan

    2006-04-01

    A spacer-equipped tetrasaccharide, p-aminocyclohexylethyl alpha-l-Colp-(1-->2)-beta-d-Galp-(1-->3)-[alpha-l-Colp-(1-->4)]-beta-D-GlcpNAc, containing a 4,6-cyclic phosphate in the galactose residue, has been synthesised. The structure corresponds to a part of the repeating unit of the capsular (and lipo-) polysaccharide of the endemic bacteria Vibrio cholerae type O139 synonym Bengal. The synthetic strategy allows continuous syntheses of the complete O139 hexasaccharide repeating unit as well as of the structurally related repeating unit of serotype O22. Starting from ethyl 2-azido-4,6-O-benzylidene-2-deoxy-1-thio-beta-D-glucopyranoside, a thioglycoside tetrasaccharide donor block was constructed through two orthogonal glycosylations with glycosyl bromide donors. First, a properly protected galactose moiety was introduced using silver triflate as promoter and subsequently the two colitose residues, carrying electron-withdrawing protecting groups for stability reasons, under halide-assisted conditions. The tetrasaccharide block was then linked to the spacer in a NIS-TMSOTf-promoted coupling. Transformation of the azido group into an acetamido group using H2S followed by removal of temporary protecting acetyl groups gave a 4',6'-diol, which was next phosphorylated with methyl dichlorophosphate and deprotected to yield the 4,6-cyclic phosphate tetrasaccharide target structure. PMID:16557311

  9. PEP-FOLD: an updated de novo structure prediction server for both linear and disulfide bonded cyclic peptides

    PubMed Central

    Thévenet, Pierre; Shen, Yimin; Maupetit, Julien; Guyon, Frédéric; Derreumaux, Philippe; Tufféry, Pierre

    2012-01-01

    In the context of the renewed interest of peptides as therapeutics, it is important to have an on-line resource for 3D structure prediction of peptides with well-defined structures in aqueous solution. We present an updated version of PEP-FOLD allowing the treatment of both linear and disulphide bonded cyclic peptides with 9–36 amino acids. The server makes possible to define disulphide bonds and any residue–residue proximity under the guidance of the biologists. Using a benchmark of 34 cyclic peptides with one, two and three disulphide bonds, the best PEP-FOLD models deviate by an average RMS of 2.75 Å from the full NMR structures. Using a benchmark of 37 linear peptides, PEP-FOLD locates lowest-energy conformations deviating by 3 Å RMS from the NMR rigid cores. The evolution of PEP-FOLD comes as a new on-line service to supersede the previous server. The server is available at: http://bioserv.rpbs.univ-paris-diderot.fr/PEP-FOLD. PMID:22581768

  10. The rotational spectrum and structure of chlorine peroxide

    NASA Technical Reports Server (NTRS)

    Birk, Manfred; Friedl, Randall R.; Cohen, Edward A.; Pickett, Herbert M.; Sander, Stanley P.

    1989-01-01

    The dimerization products of the ClO + ClO reaction were investigated in a flowing chemical reactor using submillimeter wave spectroscopy. The major products were identified as the chlorine peroxide (Cl2O2) and chlorine dioxide (OClO). The rotational constants as well as a complete set of quartic centrifugal distortion constants were determined. The identification of the chlorine peroxide supports the earlier proposed ClO-dimer mechanisms, which partly explain the ozone hole formation during the Antarctic springtime.

  11. Understanding rotation profile structures in ECH-heated plasmas using nonlinear gyrokinetic simulations

    NASA Astrophysics Data System (ADS)

    Wang, Weixing; Brian, B.; Ethier, S.; Chen, J.; Startsev, E.; Diamond, P. H.; Lu, Z.

    2015-11-01

    A non-diffusive momentum flux connecting edge momentum sources/sinks and core plasma flow is required to establish the off-axis peaked ion rotation profile typically observed in ECH-heated DIII-D plasmas without explicit external momentum input. The understanding of the formation of such profile structures provides an outstanding opportunity to test the physics of turbulence driving intrinsic rotation, and validate first-principles-based gyrokinetic simulation models. Nonlinear, global gyrokinetic simulations of DIII-D ECH plasmas indicate a substantial ITG fluctuation-induced residual stress generated around the region of peaked toroidal rotation, along with a diffusive momentum flux. The residual stress profile shows an anti-gradient, dipole structure, which is critical for accounting for the formation of the peaked rotation profile. It is showed that both turbulence intensity gradient and zonal flow ExB shear contribute to the generation of k// asymmetry needed for residual stress generation. By balancing the simulated residual stress and the momentum diffusion, a rotation profile is calculated. In general, the radial structure of core rotation profile is largely determined by the residual stress profile, while the amplitude of core rotation depends on the edge toroidal rotation velocity, which is determined by edge physics and used as a boundary condition in our model. The calculated core rotation profile is consistent with the experimental measurements. Also discussed is the modification of turbulence-generated Reynolds stress on poloidal rotation in those plasmas. Work supported by U.S. DOE Contract DE-AC02-09-CH11466.

  12. Thermodynamics of the hydrogen bonding of nitrogen-containing cyclic and aromatic compounds with proton donors: The structure-property relationship

    NASA Astrophysics Data System (ADS)

    Rakipov, I. T.; Varfolomeev, M. A.; Kirgizov, A. Yu.; Solomonov, B. N.

    2014-12-01

    Enthalpies of dissolution are measured at infinite dilution of nitrogen-containing cyclic (pyrrolidine, piperidine) and aromatic compounds (aniline, N-methylaniline, N,N-dimethylaniline, N-methylimidazole, pyridine, 2-, 3-, 4-methylpyridine, pyrrole, N-methylpyrrole) in chloroform and dichloromethane, and vice versa ( T = 298.15 K). The enthalpies of hydrogen bonds in the above systems are calculated. Relationships between resulting thermochemical data and the structure of nitrogen-containing cyclic and aromatic compounds are explored.

  13. Identification and Structural Characterization of Naturally-Occurring Broad-Spectrum Cyclic Antibiotics Isolated from Paenibacillus.

    PubMed

    Knolhoff, Ann M; Zheng, Jie; McFarland, Melinda A; Luo, Yan; Callahan, John H; Brown, Eric W; Croley, Timothy R

    2015-10-01

    The rise of antimicrobial resistance necessitates the discovery and/or production of novel antibiotics. Isolated strains of Paenibacillus alvei were previously shown to exhibit antimicrobial activity against a number of pathogens, such as E. coli, Salmonella, and methicillin-resistant Staphylococcus aureus (MRSA). The responsible antimicrobial compounds were isolated from these Paenibacillus strains and a combination of low and high resolution mass spectrometry with multiple-stage tandem mass spectrometry was used for identification. A group of closely related cyclic lipopeptides was identified, differing primarily by fatty acid chain length and one of two possible amino acid substitutions. Variation in the fatty acid length resulted in mass differences of 14 Da and yielded groups of related MS(n) spectra. Despite the inherent complexity of MS/MS spectra of cyclic compounds, straightforward analysis of these spectra was accomplished by determining differences in complementary product ion series between compounds that differ in molecular weight by 14 Da. The primary peptide sequence assignment was confirmed through genome mining; the combination of these analytical tools represents a workflow that can be used for the identification of complex antibiotics. The compounds also share amino acid sequence similarity to a previously identified broad-spectrum antibiotic isolated from Paenibacillus. The presence of such a wide distribution of related compounds produced by the same organism represents a novel class of broad-spectrum antibiotic compounds. PMID:26250559

  14. Identification and Structural Characterization of Naturally-Occurring Broad-Spectrum Cyclic Antibiotics Isolated from Paenibacillus

    NASA Astrophysics Data System (ADS)

    Knolhoff, Ann M.; Zheng, Jie; McFarland, Melinda A.; Luo, Yan; Callahan, John H.; Brown, Eric W.; Croley, Timothy R.

    2015-08-01

    The rise of antimicrobial resistance necessitates the discovery and/or production of novel antibiotics. Isolated strains of Paenibacillus alvei were previously shown to exhibit antimicrobial activity against a number of pathogens, such as E. coli, Salmonella, and methicillin-resistant Staphylococcus aureus (MRSA). The responsible antimicrobial compounds were isolated from these Paenibacillus strains and a combination of low and high resolution mass spectrometry with multiple-stage tandem mass spectrometry was used for identification. A group of closely related cyclic lipopeptides was identified, differing primarily by fatty acid chain length and one of two possible amino acid substitutions. Variation in the fatty acid length resulted in mass differences of 14 Da and yielded groups of related MSn spectra. Despite the inherent complexity of MS/MS spectra of cyclic compounds, straightforward analysis of these spectra was accomplished by determining differences in complementary product ion series between compounds that differ in molecular weight by 14 Da. The primary peptide sequence assignment was confirmed through genome mining; the combination of these analytical tools represents a workflow that can be used for the identification of complex antibiotics. The compounds also share amino acid sequence similarity to a previously identified broad-spectrum antibiotic isolated from Paenibacillus. The presence of such a wide distribution of related compounds produced by the same organism represents a novel class of broad-spectrum antibiotic compounds.

  15. The Rotation-Vibration Structure of 12C

    NASA Astrophysics Data System (ADS)

    Gai, M.; Bijker, R.; Freer, M.; Kokalova, T.; Marin-Lambarri, D. J.; Wheldon, C.

    2014-12-01

    The newly measured high spin Jπ = 5- state at 22.4(2) MeV in 12C reported in this conference, fits very well to the predicted (ground state) rotational band of an oblate equilateral triangular spinning top with a D3h symmetry characterized by the sequence of states: 0+, 2+, 3- 4±, 5- with almost degenerate 4+ and 4- (parity doublet) states. Such a D3h symmetry was observed in triatomic molecules, and it is observed here for the first time in nuclear physics. We discuss a classification of other rotation-vibration bands in 12C such as the (0+) Hoyle band and the (1-) bending mode band and suggest measurements in search of the predicted ("missing") states that may shed new light on clustering in 12C and light nuclei. In particular, the observation (or non observation) of the predicted ("missing") states in the Hoyle band will allow us to conclude the geometrical arrangement of the three alpha particles composing the Hoyle state at 7.654 MeV in 12 C.

  16. Probing microscopic structure and braid statistics in rotating Bose gases

    NASA Astrophysics Data System (ADS)

    Zhao, Jianshi; Jacome, Louis; Gemelke, Nathan

    2015-05-01

    It has been predicted that interacting bosonic atoms confined in a rapidly rotating two dimensional harmonic trap exhibit ground states analogous to fractional quantum Hall (FQH) states, and exhibit non-Landau-Ginzburg order and long range entanglement. Some of these states are expected to have excitations which possess fractional statistics, although no convincing measurement has yet been made. We describe an experiment which seeks to realize FQH physics using cold Rb-87 atoms confined to an optical lattice with rotating lattice sites. In these experiments, FQH droplets can be imaged using two high-resolution quantum gas microscopes (N.A. = 0.4, 0.8) which allow for occupancy resolved measurements, imaging in three dimensions, and expand on previous measurements by providing an unambiguous identification of states through microscopic time-of-flight. The latter permits identification of novel properties through counting statistics - using impurity atoms (in a minority spin state), pair correlation measurements can reveal an effectively fractionalized relative angular momentum, indicative of fractionalized braid statistics. Supported by NSF Grant No. PHY-1068570.

  17. Rotational spectroscopy of antipyretics: Conformation, structure, and internal dynamics of phenazone

    NASA Astrophysics Data System (ADS)

    Écija, Patricia; Cocinero, Emilio J.; Lesarri, Alberto; Fernández, José A.; Caminati, Walther; Castaño, Fernando

    2013-03-01

    The conformational and structural preferences of phenazone (antipyrine), the prototype of non-opioid pyrazolone antipyretics, have been probed in a supersonic jet expansion using rotational spectroscopy. The conformational landscape of the two-ring assembly was first explored computationally, but only a single conformer was predicted, with the N-phenyl and N-methyl groups on opposite sides of the pyrazolone ring. Consistently, the microwave spectrum evidenced a rotational signature arising from a single molecular structure. The spectrum exhibited very complicated fine and hyperfine patterns (not resolvable with any other spectroscopic technique) originated by the simultaneous coupling of the methyl group internal rotation and the spins of the two 14N nuclei with the overall rotation. The internal rotation tunnelling was ascribed to the C-CH3 group and the barrier height established experimentally (7.13(10) kJ mol-1). The internal rotation of the N-CH3 group has a lower limit of 9.4 kJ mol-1. The structure of the molecule was determined from the rotational parameters, with the phenyl group elevated ca. 25° with respect to the average plane of the pyrazolic moiety and a phenyl torsion of ca. 52°. The origin of the conformational preferences is discussed in terms of the competition between intramolecular C-H⋯N and C-H⋯O weak hydrogen bonds.

  18. On the detection of natural frequencies and mode shapes of submerged rotating disk-like structures from the casing

    NASA Astrophysics Data System (ADS)

    Presas, Alexandre; Valentin, David; Egusquiza, Eduard; Valero, Carme; Seidel, Ulrich

    2015-08-01

    To avoid resonance problems in rotating turbomachinery components such as impellers, it is of paramount importance to determine the natural frequencies of these parts when they are under operation. Nevertheless, most of these rotating structures are inaccessible and in some cases submerged and confined. To measure the natural frequencies of submerged impellers from the rotating frame is complicated, because sensors have to be well fixed, withstand with large pressure and centrifugal forces. Furthermore, the signals have to be transmitted to the stationary frame. For this reason it may be advantageous to measure the natural frequencies with sensors placed on the casing. In this paper, the analysis of rotating disk-like structures submerged and confined has been performed from the stationary frame. Previously, an analytical model to determine the natural frequencies and mode shapes of the disk from the rotating frame is presented. Once natural frequencies and mode shapes are obtained in the rotating frame, the transmission to the stationary frame has been deduced. A rotating disk test rig has been used for the experimental study. It consist of a rotating disk that has been excited from the rotating frame with a piezoelectric patch and it response has been measured from both rotating and stationary frame. Results shows that for rotating submerged structures in heavy fluids such as water, not only the structural modes of the rotating part are different than for rotating structures in air, but also the transmission from the rotating to the stationary frame.

  19. Cyclic pentapeptide analogs based on endomorphin-2 structure: cyclization studies using liquid chromatography combined with on-line mass spectrometry and tandem mass spectrometry.

    PubMed

    Piekielna, Justyna; Kluczyk, Alicja; Perlikowska, Renata; Janecka, Anna

    2014-05-01

    The cyclization of linear analogs based on endomorphin-2 structure, Tyr/Dmt-d-Lys-Phe-Phe-Asp-NH2 and Tyr/Dmt-d-Cys-Phe-Phe-Cys-NH2 (where Dmt=2',6'-dimethyltyrosine), resulting in obtaining lactam or disulfide derivatives, was studied using liquid chromatography combined with on-line mass spectrometry (LC-MS) and tandem mass spectrometry (LC-MS/MS). In case of cyclization via an amide bond, the formation of the cyclic monomers, cyclic but not linear dimers and even traces of cyclic trimers was observed. Disulfide bridge containing peptides was obtained by the solid-phase synthesis of the linear sequences, followed by either in-solution or on-resin cyclization. In case of the in-solution cyclization, the expected cyclic monomers were the only products. When oxidation of the cysteine residues was performed when the peptides were still on the resin, cyclic monomer and two cyclodimers, parallel and antiparallel, were found. Digestion of the isolated cyclodimers with α-chymotrypsin allowed for their unambiguous identification. The comparison of the cyclic monomer/dimer ratios for analogs with Tyr versus Dmt in position 1 revealed that the presence of the exocyclic Dmt favored formation of the cyclic monomer, most likely due to the increased steric bulk of this amino acid side-chain as compared with Tyr. PMID:24525024

  20. Installation of rotating-machinery skids on offshore structures interface and structural aspects

    SciTech Connect

    Canacci, M.; Giusti, S.; Zucchi, O.

    1995-12-31

    One of the most important aspects, to be considered, in the offshore installation of turbomachinery and reciprocating compressors is the interface between the machine skid and the main structure. The whole structural design is to be such that under the most severe static and dynamic loads the machine alignment and the vibrations are maintained to acceptable levels either if the rotating machinery is installed in a module or directly on the platform deck. There are two structural solutions to achieve the above conditions and they are: the multipoint skid, typically used when the structure stiffness allows it, and the three point supported skid that is used whenever the main structure displacements are too high for the conventional baseplates. Both multipoint and three point skids have been studied to accommodate different types of driver and driven machines. To assure the suitability of the baseplates against the several operating conditions its design is carried out by applying a finite element analysis either in static or dynamic conditions considering the simulation of the machine effects and the stiffness characteristics of the main structure. The purpose of this paper is to illustrate the Nuovo Pignone criteria and experiences of designing machine skids suitable for the most severe operating conditions, maintaining reliability, available and operability of the units.

  1. Cyclic nucleotide binding and structural changes in the isolated GAF domain of Anabaena adenylyl cyclase, CyaB2

    PubMed Central

    Badireddy, Suguna; Rajendran, Abinaya; Anand, Ganesh Srinivasan

    2015-01-01

    GAF domains are a large family of regulatory domains, and a subset are found associated with enzymes involved in cyclic nucleotide (cNMP) metabolism such as adenylyl cyclases and phosphodiesterases. CyaB2, an adenylyl cyclase from Anabaena, contains two GAF domains in tandem at the N-terminus and an adenylyl cyclase domain at the C-terminus. Cyclic AMP, but not cGMP, binding to the GAF domains of CyaB2 increases the activity of the cyclase domain leading to enhanced synthesis of cAMP. Here we show that the isolated GAFb domain of CyaB2 can bind both cAMP and cGMP, and enhanced specificity for cAMP is observed only when both the GAFa and the GAFb domains are present in tandem (GAFab domain). In silico docking and mutational analysis identified distinct residues important for interaction with either cAMP or cGMP in the GAFb domain. Structural changes associated with ligand binding to the GAF domains could not be detected by bioluminescence resonance energy transfer (BRET) experiments. However, amide hydrogen-deuterium exchange mass spectrometry (HDXMS) experiments provided insights into the structural basis for cAMP-induced allosteric regulation of the GAF domains, and differences in the changes induced by cAMP and cGMP binding to the GAF domain. Thus, our findings could allow the development of molecules that modulate the allosteric regulation by GAF domains present in pharmacologically relevant proteins. PMID:25922789

  2. The increasing unemployment gap between the low and high educated in West Germany. Structural or cyclical crowding-out?

    PubMed

    Klein, Markus

    2015-03-01

    This paper addresses trends in education-specific unemployment risks at labor market entry in West Germany from the mid-1970s to the present. In line with previous research it shows that vocationally qualified school-leavers have relatively lower unemployment risks than school-leavers with general education. Over time, the gap in unemployment risks between the low-educated and medium- and highly educated labor market entrants substantially widened for both sexes. The literature identifies two different mechanisms for this trend: structural or cyclical crowding out. While in the former scenario low-educated become increasingly unemployed due to an oversupply of tertiary graduates and displacement from above, in the latter their relative unemployment risk varies with the business cycle. The results provide evidence for cyclical rather than structural crowding-out in West Germany. Since macroeconomic conditions became generally worse over time, this strongly explains the widening unemployment gap between the low-educated and all other education groups. PMID:25592924

  3. Rotational structures and the wobbling mode in {sup 167}Ta

    SciTech Connect

    Hartley, D. J.; Ludington, A.; Pifer, R.; Seyfried, E. P.; Vanhoy, J. R.; Janssens, R. V. F.; Carpenter, M. P.; Lauritsen, T.; McCutchan, E. A.; Zhu, S.; Riedinger, L. L.; Darby, I. G.; Riley, M. A.; Wang, X.; Aguilar, A.; Chiara, C. J.; Chowdhury, P.; Lakshmi, S.; Shirwadkar, U.; Tandel, S. K.

    2011-06-15

    Excited states in the neutron-deficient nucleus {sup 167}Ta were studied through the {sup 120}Sn({sup 51}V,4n) reaction. Twelve rotational bands have been observed and the relative excitation energy of each sequence is now known owing to the multiple interband connections. Several quasineutron alignments were observed that aided in the quasiparticle assignments of these bands. The resulting interpretation is in line with observations in neighboring nuclei. Trends in the wobbling phonon energy seen in {sup 161,163,165,167}Lu and {sup 167}Ta are also discussed and particle-rotor model calculations (assuming constant moments of inertia) are found to be inconsistent with the experimental data.

  4. Structure and stoichiometry of an accessory subunit TRIP8b interaction with hyperpolarization-activated cyclic nucleotide-gated channels

    PubMed Central

    Bankston, John R.; Camp, Stacey S.; DiMaio, Frank; Lewis, Alan S.; Chetkovich, Dane M.; Zagotta, William N.

    2012-01-01

    Ion channels operate in intact tissues as part of large macromolecular complexes that can include cytoskeletal proteins, scaffolding proteins, signaling molecules, and a litany of other molecules. The proteins that make up these complexes can influence the trafficking, localization, and biophysical properties of the channel. TRIP8b (tetratricopetide repeat-containing Rab8b-interacting protein) is a recently discovered accessory subunit of hyperpolarization-activated cyclic nucleotide-gated (HCN) channels that contributes to the substantial dendritic localization of HCN channels in many types of neurons. TRIP8b interacts with the carboxyl-terminal region of HCN channels and regulates their cell-surface expression level and cyclic nucleotide dependence. Here we examine the molecular determinants of TRIP8b binding to HCN2 channels. Using a single-molecule fluorescence bleaching method, we found that TRIP8b and HCN2 form an obligate 4:4 complex in intact channels. Fluorescence-detection size-exclusion chromatography and fluorescence anisotropy allowed us to confirm that two different domains in the carboxyl-terminal portion of TRIP8b—the tetratricopepide repeat region and the TRIP8b conserved region—interact with two different regions of the HCN carboxyl-terminal region: the carboxyl-terminal three amino acids (SNL) and the cyclic nucleotide-binding domain, respectively. And finally, using X-ray crystallography, we determined the atomic structure of the tetratricopepide region of TRIP8b in complex with a peptide of the carboxy-terminus of HCN2. Together, these experiments begin to uncover the mechanism for TRIP8b binding and regulation of HCN channels. PMID:22550182

  5. Cyclic resistive switching effect in plasma electrolytically oxidized mesoporous Pt/TiO2 structures

    NASA Astrophysics Data System (ADS)

    Fullam, S.; Ray, N. J.; Karpov, E. G.

    2015-06-01

    Understanding the resistive switching phenomenon in metal oxide semiconductors is necessary in producing reliable resistive random access memory and other variable resistance devices. An alternative technique for fabricating resistive switching elements is presented. Using plasma electrolytic oxidation, 10-11 μ m thick oxide layers were galvanostatically grown on Ti substrates in a 3 M H2SO4 electrolyte. Analysis of the TiO2 layer by SEM, AFM, and XRD found the mesoporous titania surface to have a high ratio of rutile to anatase phases. The samples demonstrated pinched I-V hysteresis attributed to the resistive switching effect, when subjected to cyclic loading (±2.5, 1.6, 0.7 V; 23-736 μ Hz) at room temperature. Ratio with magnitude of 6 is reported for the resistance switching effect during 1.6 V 368 μ Hz loads.

  6. Controlling the anisotropy and domain structure with oblique deposition and substrate rotation

    SciTech Connect

    Chowdhury, N.; Bedanta, S.

    2014-02-15

    Effect of substrate rotation on anisotropy and domain structure for a thin ferromagnetic film has been investigated in this work. For this purpose Co films with 10 nm thickness have been prepared by sputtering with oblique angle of incidence for various substrate rotations. This method of preparation induces a uniaxial anisotropy due to shadow deposition effect. The magnetization reversal is studied by magneto-optic Kerr effect (MOKE) based microscope in the longitudinal geometry. The Co films prepared by rotating the substrate with 10 and 20 rpm weakens the anisotropy but does not completely give isotropic films. But this leads to high dispersion in local grain anisotropy resulting in ripple and labyrinth domains. It is observed that the substrate rotation has moderate effect on uniaxial anisotropy but has significant effect on the magnetization reversal process and the domain structure.

  7. Rotating structures in low temperature magnetized plasmas - Insight from particle simulations

    NASA Astrophysics Data System (ADS)

    Boeuf, Jean-Pierre

    2014-12-01

    The EXB configuration of various low temperature plasma devices is often responsible for the formation of rotating structures and instabilities leading to anomalous electron transport across the magnetic field. In these devices, electrons are strongly magnetized while ions are weakly or not magnetized and this leads to specific physical phenomena that are not present in fusion plasmas where both electrons and ions are strongly magnetized. In this paper we describe basic phenomena involving rotating plasma structures in simple configurations of low temperature EXB plasma devices on the basis of PIC-MCC (Particle-In-Cell Monte Carlo Collisions) simulations. We focus on three examples: rotating electron vortices and rotating spokes in cylindrical magnetrons, and azimuthal electron-cyclotron drift instability in Hall thrusters. The simulations are not intended to give definite answers to the many physics issues related to low temperature EXB plasma devices but are used to illustrate and discuss some of the basic questions that need further studies.

  8. Evaluation of flawed composite structural components under static and cyclic loading. [fatigue life of graphite-epoxy composite materials

    NASA Technical Reports Server (NTRS)

    Porter, T. R.

    1979-01-01

    The effects of initial defects on the fatigue and fracture response of graphite-epoxy composite laminates are presented. The structural laminates investigated were a typical angle ply laminate, a polar/hoop wound pressure vessel laminate, and a typical engine fan blade laminate. Defects investigated were full and half penetration circular holes, full and half penetration slits, and countersink holes. The effects of the defect size and type on the static fracture strength, fatigue performance, and residual static strength are shown as well as the results of loadings on damage propagation in composite laminates. The data obtained were used to define proof test levels as a qualification procedure in composite structure subjected to cyclic loading.

  9. Uniform rotating field network structure to efficiently package a magnetic bubble domain memory

    NASA Technical Reports Server (NTRS)

    Wolfshagen, Ronald G. (Inventor); Ypma, John E. (Inventor); Murray, Glen W. (Inventor); Chen, Thomas T. (Inventor)

    1978-01-01

    A unique and compact open coil rotating magnetic field network structure to efficiently package an array of bubble domain devices is disclosed. The field network has a configuration which effectively enables selected bubble domain devices from the array to be driven in a vertical magnetic field and in an independent and uniform horizontal rotating magnetic field. The field network is suitably adapted to minimize undesirable inductance effects, improve capabilities of heat dissipation, and facilitate repair or replacement of a bubble device.

  10. Photoelectron spectra and structures of three cyclic dipeptides: PhePhe, TyrPro, and HisGly

    NASA Astrophysics Data System (ADS)

    Wickrama Arachchilage, Anoja P.; Wang, Feng; Feyer, Vitaliy; Plekan, Oksana; Prince, Kevin C.

    2012-03-01

    We have investigated the electronic structure of three cyclic dipeptides: cyclo(Histidyl-Glycyl) (cHisGly), cyclo(Tyrosyl-Prolyl) (cTyrPro), and cyclo(Phenylalanyl-Phenylalanyl) (cPhePhe) in the vapor phase, by means of photoemission spectroscopy and theoretical modeling. The last compound was evaporated from the solid linear dipeptide, but cyclised, losing water to form cPhePhe in the gas phase. The results are compared with our previous studies of three other cyclopeptides. Experimental valence and core level spectra have been interpreted in the light of calculations to identify the basic chemical properties associated with the central diketopiperazine ring, and with the additional functional groups. The valence spectra are generally characterized by a restricted set of outer valence orbitals separated by a gap from most other valence orbitals. The theoretically simulated core and valence spectra of all three cyclic dipeptides agree reasonably well with the experimental spectra. The central ring and the side chains act as independent chromophores whose spectra do not influence one another, except for prolyl dipeptides, where the pyrrole ring is fused with the central ring. In this case, significant changes in the valence and core level spectra were observed, and explained by stronger hybridization of the valence orbitals.

  11. The effect of variable frequency of sexual reproduction on the genetic structure of natural populations of a cyclical parthenogen.

    PubMed

    Allen, Desiree E; Lynch, Michael

    2012-03-01

    Cyclical parthenogens are a valuable system in which to empirically test theoretical predictions as to the genetic consequences of sexual reproduction in natural populations, particularly if the frequency of sexual relative to asexual reproduction can be quantified. In this study, we used a series of lake populations of the cyclical parthenogen, Daphnia pulicaria, that vary consistently in their investment in sexual reproduction, to address the questions of whether the ecological variation in investment in sex is detectable at the genetic level, and if so, whether the genetic patterns seen are consistent with theoretical predictions. We show that there is variation in the genetic structure of these populations in a manner consistent with their investment in sexual reproduction. Populations engaging in a high frequency of sex were in Hardy-Weinberg and gametic phase equilibrium, and showed little genotypic differentiation across sampled years. In contrast, populations with a lower frequency of sex deviated widely from equilibrium, had reduced multilocus clonal diversity, and showed significant temporal genotypic deviation. PMID:22380451

  12. Equilibrium Structures of Differentially Rotating and Tidally Distorted White Dwarf Models of Stars

    NASA Astrophysics Data System (ADS)

    Lal, Arvind Kumar; Mohan, C.; Singh, V. P.

    2006-01-01

    In this paper we present a method for computing the equilibrium structures and various physical parameters of a primary component of the binary system assuming that the primary is more massive than the secondary and is rotating differentially according to the law of the w2 = b0 + b1 × s2 + b2 × s4, w being the angular velocity of rotation of a fluid element distant s from the axis of rotation and b0, b1, b2 suitably chosen numerical constants. This method utilizes the averaging approach of Kippenhahn and Thomas (1997) and the concept of Roche equipotentials in a manner earlier used by Mohan et al. (1997) to incorporate the effects of rotation and tidal distortions on the equilibrium structures of certain rotationally and tidally distorted stellar models. The use of the method has been illustrated by applying it to obtain the structures and some observable parameters of certain differentially rotating and tidally distorted binary systems whose primary component is assumed to be a white dwarf star.

  13. Rotation and structure of FoF1-ATP synthase.

    PubMed

    Okuno, Daichi; Iino, Ryota; Noji, Hiroyuki

    2011-06-01

    F(o)F(1)-ATP synthase is one of the most ubiquitous enzymes; it is found widely in the biological world, including the plasma membrane of bacteria, inner membrane of mitochondria and thylakoid membrane of chloroplasts. However, this enzyme has a unique mechanism of action: it is composed of two mechanical rotary motors, each driven by ATP hydrolysis or proton flux down the membrane potential of protons. The two molecular motors interconvert the chemical energy of ATP hydrolysis and proton electrochemical potential via the mechanical rotation of the rotary shaft. This unique energy transmission mechanism is not found in other biological systems. Although there are other similar man-made systems like hydroelectric generators, F(o)F(1)-ATP synthase operates on the nanometre scale and works with extremely high efficiency. Therefore, this enzyme has attracted significant attention in a wide variety of fields from bioenergetics and biophysics to chemistry, physics and nanoscience. This review summarizes the latest findings about the two motors of F(o)F(1)-ATP synthase as well as a brief historical background. PMID:21524994

  14. An Event-Related Potentials Study of Mental Rotation in Identifying Chemical Structural Formulas

    ERIC Educational Resources Information Center

    Huang, Chin-Fei; Liu, Chia-Ju

    2012-01-01

    The purpose of this study was to investigate how mental rotation strategies affect the identification of chemical structural formulas. This study conducted event-related potentials (ERPs) experiments. In addition to the data collected in the ERPs, a Chemical Structure Conceptual Questionnaire and interviews were also admin-istered for data…

  15. Structural Insights into the Role of the Cyclic Backbone in a Squash Trypsin Inhibitor*

    PubMed Central

    Daly, Norelle L.; Thorstholm, Louise; Greenwood, Kathryn P.; King, Gordon J.; Rosengren, K. Johan; Heras, Begoña; Martin, Jennifer L.; Craik, David J.

    2013-01-01

    MCoTI-II is a head-to-tail cyclic peptide with potent trypsin inhibitory activity and, on the basis of its exceptional proteolytic stability, is a valuable template for the design of novel drug leads. Insights into inhibitor dynamics and interactions with biological targets are critical for drug design studies, particularly for protease targets. Here, we show that the cyclization and active site loops of MCoTI-II are flexible in solution, but when bound to trypsin, the active site loop converges to a single well defined conformation. This finding of reduced flexibility on binding is in contrast to a recent study on the homologous peptide MCoTI-I, which suggested that regions of the peptide are more flexible upon binding to trypsin. We provide a possible explanation for this discrepancy based on degradation of the complex over time. Our study also unexpectedly shows that the cyclization loop, not present in acyclic homologues, facilitates potent trypsin inhibitory activity by engaging in direct binding interactions with trypsin. PMID:24169696

  16. Cyclization Phenomena in the Sol-Gel Polymerization of a,w-Bis(triethoxysilyl)alkanes and Incorporation of the Cyclic Structures into Network Silsesquioxane Polymers

    SciTech Connect

    Alam, T.M.; Carpenter, J.P.; Dorhout, P.K.; Greaves, J.; Loy, D.A.; Shaltout, R.; Shea, K.J.; Small, J.H.

    1999-01-04

    Intramolecular cyclizations during acid-catalyzed, sol-gel polymerizations of ct,co- bis(tietioxysilyl)aWmes substintidly lengtien gelties formonomers witietiylene- (l), propylene- (2), and butylene-(3)-bridging groups. These cyclizations reactions were found, using mass spectrometry and %i NMR spectroscopy, to lead preferentially to monomeric and dimeric products based on six and seven membered disilsesquioxane rings. 1,2- Bis(triethoxysilyl)ethane (1) reacts under acidic conditions to give a bicyclic drier (5) that is composed of two annelated seven membered rings. Under the same conditions, 1,3- bis(triethoxysilyl)propane (2), 1,4-bis(triethoxysilyl)butane (3), and z-1,4- bis(triethoxysilyl)but-2-ene (10) undergo an intramolecular condensation reaction to give the six membemd and seven membered cyclic disilsesquioxanes 6, 7, and 11. Subsequently, these cyclic monomers slowly react to form the tricyclic dirners 8,9 and 12. With NaOH as polymerization catalyst these cyclic silsesquioxanes readily ~aeted to afford gels that were shown by CP MAS z%i NMR and infr=d spectroscopes to retain some cyclic structures. Comparison of the porosity and microstructwe of xerogels prepared from the cyclic monomers 6 and 7 with gels prepared directly from their acyclic precursors 2 and 3, indicate that the final pore structure of the xerogels is markedly dependent on the nature of the precursor. In addition, despite the fact that the monomeric cyclic disilsesquioxane species can not be isolated from 1-3 under basic conditions due to their rapid rate of gelation, spectroscopic techniques also detected the presence of the cyclic structures in the resulting polymeric gels.

  17. A vision-based dynamic rotational angle measurement system for large civil structures.

    PubMed

    Lee, Jong-Jae; Ho, Hoai-Nam; Lee, Jong-Han

    2012-01-01

    In this paper, we propose a vision-based rotational angle measurement system for large-scale civil structures. Despite the fact that during the last decade several rotation angle measurement systems were introduced, they however often required complex and expensive equipment. Therefore, alternative effective solutions with high resolution are in great demand. The proposed system consists of commercial PCs, commercial camcorders, low-cost frame grabbers, and a wireless LAN router. The calculation of rotation angle is obtained by using image processing techniques with pre-measured calibration parameters. Several laboratory tests were conducted to verify the performance of the proposed system. Compared with the commercial rotation angle measurement, the results of the system showed very good agreement with an error of less than 1.0% in all test cases. Furthermore, several tests were conducted on the five-story modal testing tower with a hybrid mass damper to experimentally verify the feasibility of the proposed system. PMID:22969348

  18. a Numerical Study of Structural Damage Detection Using Changes in the Rotation of Mode Shapes

    NASA Astrophysics Data System (ADS)

    ABDO, M. A.-B.; HORI, M.

    2002-03-01

    Damage detection using changes in global dynamic characteristics has been a hot research topic and attracted civil, aerospace, and mechanical engineering communities in recent years. In this paper, a numerical study of the relationship between damage characteristics and the changes in the dynamic properties is presented. It is found that the rotation of mode shape is a sensitive indicator of damage. The numerical results clarify that the rotation of mode shape has the characteristic of localization at the damaged region even though the displacement modes are not localized. Also, the results illustrate that the rotations of modes are robust in locating multiple damage locations with different sizes in a structure. Furthermore, using the changes in the rotation of mode shape does not need very fine grid of measurements to detect and locate damage, effectively.

  19. Structural dynamic modeling and stability of a rotating blade under gravitational force

    NASA Astrophysics Data System (ADS)

    Kwon, Seungmin; Chung, Jintai; Hee Yoo, Hong

    2013-05-01

    Turbine blade lengths have been increasing in recent wind energy system designs in order to enhance power generation capacity. A longer blade length makes the structural system more flexible and often results in an undesirable, large dynamic response, which should be avoided in the design of the system. In the present study, the equations of motion of a rotating wind turbine blade undergoing gravitational force are derived, while considering tilt and pitch angles. Since the gravitational force acting on the rotating blade creates an oscillating axial force, this results in oscillating stiffness terms in the governing equations. The validity of the derived rotating blade model is evaluated by comparing its transient responses to those obtained by using a commercial finite element code. Effects of rotating speed, tilt angle, and pitch angle of the wind turbine blade on its dynamic stability characteristics are investigated.

  20. A Vision-Based Dynamic Rotational Angle Measurement System for Large Civil Structures

    PubMed Central

    Lee, Jong-Jae; Ho, Hoai-Nam; Lee, Jong-Han

    2012-01-01

    In this paper, we propose a vision-based rotational angle measurement system for large-scale civil structures. Despite the fact that during the last decade several rotation angle measurement systems were introduced, they however often required complex and expensive equipment. Therefore, alternative effective solutions with high resolution are in great demand. The proposed system consists of commercial PCs, commercial camcorders, low-cost frame grabbers, and a wireless LAN router. The calculation of rotation angle is obtained by using image processing techniques with pre-measured calibration parameters. Several laboratory tests were conducted to verify the performance of the proposed system. Compared with the commercial rotation angle measurement, the results of the system showed very good agreement with an error of less than 1.0% in all test cases. Furthermore, several tests were conducted on the five-story modal testing tower with a hybrid mass damper to experimentally verify the feasibility of the proposed system. PMID:22969348

  1. Structural Insights into the Distinct Binding Mode of Cyclic Di-AMP with SaCpaA_RCK.

    PubMed

    Chin, Ko-Hsin; Liang, Juin-Ming; Yang, Jauo-Guey; Shih, Min-Shao; Tu, Zhi-Le; Wang, Yu-Chuang; Sun, Xing-Han; Hu, Nien-Jen; Liang, Zhao-Xun; Dow, J Maxwell; Ryan, Robert P; Chou, Shan-Ho

    2015-08-11

    Cyclic di-AMP (c-di-AMP) is a relatively new member of the family of bacterial cyclic dinucleotide second messengers. It has attracted significant attention in recent years because of the abundant roles it plays in a variety of Gram-positive bacteria. The structural features that allow diverse bacterial proteins to bind c-di-AMP are not fully understood. Here we report the biophysical and structural studies of c-di-AMP in complex with a bacterial cation-proton antiporter (CpaA) RCK (regulator of the conductance of K(+)) protein from Staphylococcus aureus (Sa). The crystal structure of the SaCpaA_RCK C-terminal domain (CTD) in complex with c-di-AMP was determined to a resolution of 1.81 Å. This structure revealed two well-liganded water molecules, each interacting with one of the adenine bases by a unique H2Olp-π interaction to stabilize the complex. Sequence blasting using the SaCpaA_RCK primary sequence against the bacterial genome database returned many CpaA analogues, and alignment of these sequences revealed that the active site residues are all well-conserved, indicating a universal c-di-AMP binding mode for CpaA_RCK. A proteoliposome activity assay using the full-length SaCpaA membrane protein indicated that c-di-AMP binding alters its antiporter activity by approximately 40%. A comparison of this structure to all other reported c-di-AMP-receptor complex structures revealed that c-di-AMP binds to receptors in either a "U-shape" or "V-shape" mode. The two adenine rings are stabilized in the inner interaction zone by a variety of CH-π, cation-π, backbone-π, or H2Olp-π interaction, but more commonly in the outer interaction zone by hydrophobic CH-π or π-π interaction. The structures determined to date provide an understanding of the mechanisms by which a single c-di-AMP can interact with a variety of receptor proteins, and how c-di-AMP binds receptor proteins in a special way different from that of c-di-GMP. PMID:26171638

  2. Structure of Trichamide, a Cyclic Peptide from the Bloom-Forming Cyanobacterium Trichodesmium erythraeum, Predicted from the Genome Sequence†

    PubMed Central

    Sudek, Sebastian; Haygood, Margo G.; Youssef, Diaa T. A.; Schmidt, Eric W.

    2006-01-01

    A gene cluster for the biosynthesis of a new small cyclic peptide, dubbed trichamide, was discovered in the genome of the global, bloom-forming marine cyanobacterium Trichodesmium erythraeum ISM101 because of striking similarities to the previously characterized patellamide biosynthesis cluster. The tri cluster consists of a precursor peptide gene containing the amino acid sequence for mature trichamide, a putative heterocyclization gene, an oxidase, two proteases, and hypothetical genes. Based upon detailed sequence analysis, a structure was predicted for trichamide and confirmed by Fourier transform mass spectrometry. Trichamide consists of 11 amino acids, including two cysteine-derived thiazole groups, and is cyclized by an N—C terminal amide bond. As the first natural product reported from T. erythraeum, trichamide shows the power of genome mining in the prediction and discovery of new natural products. PMID:16751554

  3. The Determination of Molecular Structure from Rotational Spectra

    DOE R&D Accomplishments Database

    Laurie, V. W.; Herschbach, D. R.

    1962-07-01

    An analysis is presented concerning the average molecular configuration variations and their effects on molecular structure determinations. It is noted that the isotopic dependence of the zero-point is often primarily governed by the isotopic variation of the average molecular configuration. (J.R.D.)

  4. Syntheses and Structural Characterizations of Iron(II) Complexes Containing Cyclic Diphosphine Ligands with Positioned Pendant Nitrogen Bases

    SciTech Connect

    Jacobsen, George M.; Shoemaker, R. K.; McNevin, Michael J.; Rakowski DuBois, Mary; DuBois, Daniel L.

    2007-09-24

    A series of new iron(II) complexes that contain cyclic diphosphine ligands with pendant amine bases, P2RN2R’, have been synthesized and characterized (where P2RN2R’ are substituted 1,5-diaza-3,7-diphosphacyclooctanes). These compounds include [Fe(P2PhN2Ph)(CH3CN)4](BF4)2 (1), cis-[Fe(CH3CN)2(P2PhN2Ph)2](BF4)2 (2a), cis-[Fe(CH3CN)2(P2CyN2Bz)2](BF4)2 (2b), cis-Fe(CH3CN)2(P2PhN2Bz)2](BF4)2 (2c), cis-Fe (P2PhN2Ph)2(Cl)2 (3), and trans-[HFe(CH3CN)(P2PhN2Ph)2](BF4), (4). The molecular structures of 1, 2b, and 4 have been confirmed by X-ray diffraction studies. For all complexes the cyclic diphosphine ligands contain one six-membered ring in a chair conformation and one six-membered ring in a boat conformation. For complex 4, the two rings that are in boat conformations result in N--H distances between the pendant amine nitrogens and the hydride ligand of 2.6 to 2.7 Å. Protonation of the pendant bases in complex 4 have been found to form several products. A structural assignment for a dominant protonated isomer has been assigned on the basis of 1H, 31P and 15N spectroscopic techniques. This work was supported by Grant CHE-0240106 from the National Science Foundation. D. L. D. acknowledges the support of the Office of Basic Energy Sciences of the Department of Energy, Chemical Sciences program. The Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  5. Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.

    PubMed

    Sekula, Bartosz; Ciesielska, Anna; Rytczak, Przemyslaw; Koziołkiewicz, Maria; Bujacz, Anna

    2016-07-01

    Cyclic phosphatidic acids (cPAs) are naturally occurring, very active signalling molecules, which are involved in several pathological states, such as cancer, diabetes or obesity. As molecules of highly lipidic character found in the circulatory system, cPAs are bound and transported by the main extracellular lipid binding protein-serum albumin. Here, we present the detailed interactions between human serum albumin (HSA) and equine serum albumin (ESA) with a derivative of cPA, 1-O-myristoyl-sn-glycerol-2,3-cyclic phosphorodithioate (Myr-2S-cPA). Initial selection of the ligand used for the structural study was made by the analysis of the therapeutically promising properties of the sulfur containing analogues of cPA in respect to the unmodified lysophospholipids (LPLs). Substitution of one or two non-bridging oxygen atoms in the phosphate group with one or two sulfur atoms increases the cytotoxic effect of cPAs up to 60% on the human prostate cancer (PC) cells. Myr-2S-cPA reduces cancer cell viability in a dose-dependent manner, with IC50 value of 29.0 μM after 24 h incubation, which is almost 30% lower than IC50 of single substituted phosphorothioate cPA. Although, the structural homology between HSA and ESA is big, their crystal complexes with Myr-2S-cPA demonstrate significantly different mode of binding of this LPL analogue. HSA binds three molecules of Myr-2S-cPA, whereas ESA only one. Moreover, none of the identified Myr-2S-cPA binding sites overlap in both albumins. PMID:27129297

  6. T-structured fluid and jamming in driven Brownian rotators

    NASA Astrophysics Data System (ADS)

    Kirchhoff, R.; Löwen, H.

    2005-01-01

    The dynamics of two-dimensional suspensions of Brownian rods which are driven by an external torque are explored by computer simulation and instability theory. For increasing density the system self-organizes into a "T-structured fluid", where neighbouring rods preferentially orient perpendicular to each other until an overlap density is reached. Then a sharp jamming transition occurs towards a dynamically blocked state with parallel neighbouring rods.

  7. Turbulent Compressible Convection with Rotation. Part 1; Flow Structure and Evolution

    NASA Technical Reports Server (NTRS)

    Brummell, Nicholas H.; Hurlburt, Neal E.; Toomre, Juri

    1996-01-01

    The effects of Coriolis forces on compressible convection are studied using three-dimensional numerical simulations carried out within a local modified f-plane model. The physics is simplified by considering a perfect gas occupying a rectilinear domain placed tangentially to a rotating sphere at various latitudes, through which a destabilizing heat flux is driven. The resulting convection is considered for a range of Rayleigh, Taylor, and Prandtl (and thus Rossby) numbers, evaluating conditions where the influence of rotation is both weak and strong. Given the computational demands of these high-resolution simulations, the parameter space is explored sparsely to ascertain the differences between laminar and turbulent rotating convection. The first paper in this series examines the effects of rotation on the flow structure within the convection, its evolution, and some consequences for mixing. Subsequent papers consider the large-scale mean shear flows that are generated by the convection, and the effects of rotation on the convective energetics and transport properties. It is found here that the structure of rotating turbulent convection is similar to earlier nonrotating studies, with a laminar, cellular surface network disguising a fully turbulent interior punctuated by vertically coherent structures. However, the temporal signature of the surface flows is modified by inertial motions to yield new cellular evolution patterns and an overall increase in the mobility of the network. The turbulent convection contains vortex tubes of many scales, including large-scale coherent structures spanning the full vertical extent of the domain involving multiple density scale heights. Remarkably, such structures align with the rotation vector via the influence of Coriolis forces on turbulent motions, in contrast with the zonal tilting of streamlines found in laminar flows. Such novel turbulent mechanisms alter the correlations which drive mean shearing flows and affect the

  8. Unravelling the Conformational Landscape of Nicotinoids: the Structure of Cotinine by Broadband Rotational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Uriarte, Iciar; Ecija, Patricia; Cocinero, Emilio J.; Perez, Cristobal; Caballero-Mancebo, Elena; Lesarri, Alberto

    2015-06-01

    Alkaloids such as nicotine, cotinine or anabasine share a common floppy structural motif consisting of a two-ring assembly with a 3-pyridil methylamine skeleton. In order to investigate the structure-activity relationship of these biomolecules, structural studies with rotational resolution have been carried out for nicotine and anabasine in the gas phase, where these molecules can be probed in an "interaction-free" environment (no solvent or crystal-packing interactions). We hereby present a structural investigation of cotinine in a jet expansion using the chirped-pulse Fourier-transform microwave (CP-FTMW) spectrometer recently built at the University of the Basque Country (UPV-EHU). The rotational spectrum (6-18 GHz) reveals the presence of two different conformations. The conformational preferences of cotinine originate from the internal rotation of the two ring moieties, the detected species differing in a near 180° rotation of pyridine. The final structure is modulated by steric effects. J.-U. Grabow, S. Mata, J. L. Alonso, I. Peña, S. Blanco, J. C. López, C. Cabezas, Phys. Chem. Chem. Phys. 2011, 13, 21063. A. Lesarri, E. J. Cocinero, L. Evangelisti, R. D. Suenram, W. Caminati, J.-U. Grabow, Chem. Eur. J. 2010, 16, 10214.

  9. Solar Cycle Fine Structure and Surface Rotation from Ca II K-Line Time Series Data

    NASA Technical Reports Server (NTRS)

    Scargle, Jeff; Keil, Steve; Worden, Pete

    2011-01-01

    Analysis of three and a half decades of data from the NSO/AFRL/Sac Peak K-line monitoring program yields evidence for four components to the variation: (a) the solar cycle, with considerable fine structure and a quasi-periodicity of 122.4 days; (b) a stochastic process, faster than (a) and largely independent of it, (c) a quasi-periodic signal due to rotational modulation, and of course (d) observational errors (shown to be quite small). Correlation and power spectrum analyses elucidate periodic and aperiodic variation of these chromospheric parameters. Time-frequency analysis is especially useful for extracting information about differential rotation, and in particular elucidates the connection between its behavior and fine structure of the solar cycle on approximately one-year time scales. These results further suggest that similar analyses will be useful at detecting and characterizing differential rotation in stars from stellar light-curves such as those being produced at NASA's Kepler observatory.

  10. Enhanced magnetization in ultrathin manganite layers via structural ``delta-doping'' of octahedral rotations

    NASA Astrophysics Data System (ADS)

    Moon, Eun Ju; Kirby, Brian J.; May, Steven J.

    The design of rotations and distortions of the corner-shared BO6 octahedra has emerged as an exciting platform to control electronic or magnetic behavior in ABO3 perovskite heterostructures. Recent work has shown that purely structural effects can be used to spatially confined magnetism in oxide heterostructures and point to the design of rotational gradients as routes to realize novel electronic or ferroic states in oxide superlattices [Nat. Comm. 5, 5710 (2014)]. Here, we demonstrate a structural ``delta doping'' approach for controlling magnetism in ultrathin layers within isovalent manganite superlattices. Polarized neutron reflectivity and temperature dependent magnetization measurements are used to correlate enhanced magnetization with local regions of suppressed octahedral rotations in the heterostructures. This work was supported by the U. S. Army Research Office under Grant No. W911NF-15-1-0133.

  11. Three-dimensional vortex structures in a rotating dipolar Bose–Einstein condensate

    NASA Astrophysics Data System (ADS)

    Kishor Kumar, Ramavarmaraja; Sriraman, Thangarasu; Fabrelli, Henrique; Muruganandam, Paulsamy; Gammal, Arnaldo

    2016-08-01

    We study three-dimensional vortex lattice structures in purely dipolar Bose–Einstein condensate (BEC). By using the mean-field approximation, we obtain a stability diagram for the vortex states in purely dipolar BECs as a function of harmonic trap aspect ratio (λ) and dipole–dipole interaction strength (D) under rotation. Rotating the condensate within the unstable region leads to collapse while in the stable region furnishes stable vortex lattices of dipolar BECs. We analyse stable vortex lattice structures by solving the three-dimensional time-dependent Gross–Pitaevskii equation in imaginary time. Further, the stability of vortex states is examined by evolution in real-time. We also investigate the distribution of vortices in a fully anisotropic trap by increasing eccentricity of the external trapping potential. We observe the breaking up of the condensate in two parts with an equal number of vortices on each when the trap is sufficiently weak, and the rotation frequency is high.

  12. e-/e+ Accelerating Structure with Cyclic Variation of Azimuth Asymmetry

    SciTech Connect

    Krasnykh, A.; /SLAC

    2007-03-05

    A classical electron/positron accelerating structure is a disk-loaded cylindrical waveguide. The accelerator structure here has azimuth symmetry. The proposed structure contains a disk-loaded cylindrical waveguide where there is a periodical change of RF-field vs. azimuth. The modulation deforms the rf-field in such a manner that the accelerated particles undergo transverse focusing forces. The new class of accelerator structures covers the initial part of e+/e- linacs where a bunch is not rigid and additional transverse focusing fields are necessary. We discuss a bunch formation with a high transverse aspect ratio in the proposed structure and particularly in the photoinjector part of a linac.

  13. Cyclic Voltammetry.

    ERIC Educational Resources Information Center

    Evans, Dennis H.; And Others

    1983-01-01

    Cyclic voltammetry is a simple experiment that has become popular in chemical research because it can provide useful information about redox reactions in a form which is easily obtained and interpreted. Discusses principles of the method and illustrates its use in the study of four electrode reactions. (Author/JN)

  14. Molecular structure of the 2:2 complex of cyclic oxaalkyl diamide of o-phthalic acid with sodium perchlorate

    NASA Astrophysics Data System (ADS)

    Huczyński, Adam; Ratajczak-Sitarz, Małgorzata; Katrusiak, Andrzej; Brzezinski, Bogumil

    2010-04-01

    Structure of the 2:2 complex of cyclic oxaalkyl diamide of o-phthalic acid (CPhDA) with sodium perchlorate is studied by X-ray diffraction, ESI-MS, FT-IR, 1H and 13C NMR as well as PM5 semiempirical methods. The crystal space group is P21/n with a = 8.599(1) Å, b = 14.802(2) Å, c = 13.988(2) Å, β = 93.37(1)° and Z = 4. In the dimeric crystal structure each sodium cation is coordinated by oxygen atoms of two CPhDA molecules. The ESI-MS measurements have proved that in the gas phase the 2:2 (or 1:1) as well as 2:1 complexes are formed. In the acetonitrile solution the equilibrium between the 2:2 and 1:1 complexes is found. The structures of the 2:2, 1:1 and 2:1 complexes of CPhDA with sodium cation are visualized using the PM5 method and discussed in detail.

  15. Parallel processing for nonlinear dynamics simulations of structures including rotating bladed-disk assemblies

    NASA Technical Reports Server (NTRS)

    Hsieh, Shang-Hsien

    1993-01-01

    The principal objective of this research is to develop, test, and implement coarse-grained, parallel-processing strategies for nonlinear dynamic simulations of practical structural problems. There are contributions to four main areas: finite element modeling and analysis of rotational dynamics, numerical algorithms for parallel nonlinear solutions, automatic partitioning techniques to effect load-balancing among processors, and an integrated parallel analysis system.

  16. Induction of molecular chirality by circularly polarized light in cyclic azobenzene with a photoswitchable benzene rotor.

    PubMed

    Hashim, P K; Thomas, Reji; Tamaoki, Nobuyuki

    2011-06-20

    New phototriggered molecular machines based on cyclic azobenzene were synthesized in which a 2,5-dimethoxy, 2,5-dimethyl, 2,5-difluorine or unsubstituted-1,4-dioxybenzene rotating unit and a photoisomerizable 3,3'-dioxyazobenzene moiety are bridged together by fixed bismethylene spacers. Depending upon substitution on the benzene moiety and on the E/Z conformation of the azobenzene unit, these molecules suffer various degrees of restriction on the free rotation of the benzene rotor. The rotation of the substituted benzene rotor within the cyclic azobenzene cavity imparts planar chirality to the molecules. Cyclic azobenzene 1, with methoxy groups at both the 2- and 5-positions of the benzene rotor, was so conformationally restricted that free rotation of the rotor was prevented in both the E and Z isomers and the respective planar chiral enantiomers were resolved. In contrast, compound 2, with 2,5-dimethylbenzene as the rotor, demonstrated the property of a light-controlled molecular brake, whereby rotation of the 2,5-dimethylbenzene moiety is completely stopped in the E isomer (brake ON, rotation OFF), while the rotation is allowed in the Z isomer (brake OFF, rotation ON). The cyclic azobenzene 3, with fluorine substitution on the benzene rotor, was in the brake OFF state regardless of E/Z photoisomerization of the azobenzene moiety. More interestingly, for the first time, we demonstrated the induction of molecular chirality in a simple monocyclic azobenzene by circular-polarized light. The key characteristics of cyclic azobenzene 2, that is, stability of the chiral structure in the E isomer, fast racemization in the Z isomer, and the circular dichroism of enantiomers of both E and Z isomers, resulted in a simple reversible enantio-differentiating photoisomerization directly between the E enantiomers. Upon exposure to r- or l-circularly polarized light at 488 nm, partial enrichment of the (S)- or (R)-enantiomers of 2 was observed. PMID:21567494

  17. The structure and molecular mechanics calculations of the cyclic (1 → 2)-β- D-glucan secreted by Rhizobium tropici CIAT 899

    NASA Astrophysics Data System (ADS)

    Gil Serrano, Antonio M.; Franco-Rodríguez, Guillermo; González-Jiménez, Isabel; Tejero-Mateo, Pilar; Molina, José Molina; Dobado, J. A.; Megías, Manuel; Romero, Maria Jesús

    1993-12-01

    The structure of the extracellular cyclic (1 → 2)-β- D-glucan secreted by Rhizobium tropici CIAT 899 has been studied by methylation analysis, 1D and 2D NMR experiments, HPLC and FAB-MS. Molecular mechanics (MM2) and theoretical 3JHH coupling constants calculations were performed.

  18. From polymer to monomer: cleavage and rearrangement of Si-O-Si bonds after oxidation yielded an ordered cyclic crystallized structure.

    PubMed

    Zuo, Yujing; Gou, Zhiming; Cao, Jinfeng; Yang, Zhou; Lu, Haifeng; Feng, Shengyu

    2015-07-27

    Polymerization reactions are very common in the chemical industry, however, the reaction in which monomers are obtained from polymers is rarely invesitgated. This work reveals for the first time that oxone can break the Si-O-Si bond and induce further rearrangement to yield an ordered cyclic structure. The oxidation of P1, which is obtained by reaction of 2,2'-1,2-ethanediylbis(oxy)bis(ethanethiol) (DBOET) with 1,3-divinyl-1,1,3,3-tetramethyldisiloxane (MM(Vi)), with oxone yielded cyclic crystallized sulfone-siloxane dimer (P1-ox) after unexpected cleavage and rearrangement of the Si-O-Si bond. PMID:26186500

  19. High-resolution structure determination by continuous rotation data collection in MicroED

    PubMed Central

    Leslie, Andrew G. W.; Gonen, Tamir

    2014-01-01

    MicroED uses very small three-dimensional protein crystals and electron diffraction for structure determination. An improved data collection protocol for MicroED called “continuous rotation” is presented. Here microcrystals are continuously rotated during data collection yielding improved data, and allowing data processing with MOSFLM resulting in improved resolution for the model protein lysozyme. These improvements pave the way for the implementation and application of MicroED with wide applicability in structural biology. PMID:25086503

  20. Gas turbine rotor/case structural response to rotating stall: Experimental documentation and analytical approach

    NASA Technical Reports Server (NTRS)

    Haley, P. J.

    1982-01-01

    The forcing functions and structural responses characterizing gas turbine rotor/case system vibration due to rotating stall in an axial flow compressor are described. Two data sets with fundamentally different response characteristics are presented; one is supersynchronous and the other subsynchronous. Conventional beam element rotor dynamics analysis is shown to be severely limited in its ability to predict these responses. A new analytical approach, which significantly increases structural response predictive capability for these phenomena, is briefly discussed.

  1. Instantaneous mode contamination and parametric combination instability of spinning cyclically symmetric ring structures with expanding application to planetary gear ring

    NASA Astrophysics Data System (ADS)

    Wang, Shiyu; Sun, Wenjia; Wang, Yaoyao

    2016-08-01

    This work addresses the free and parametric elastic vibrations of the spinning cyclically symmetric ring structures. The focus is on the instantaneous mode contamination, parametric combination instability and their connections. An analytical model is developed by using the Hamilton's principle for the in-plane bending deflection, the distinction of which is in the arbitrary distributions of the attached mass and stiffness. A special case with equally-spaced discrete mass particles and spinning springs is detailed. The uneven tangential force and the time-invariant deflection caused by the mass particles are formulated. The results imply that the order of such deflection is equal to the number of the mass particles. The instantaneous mode contamination and parametric combination instability are captured by the perturbation and superposition mode shapes of the stationary smooth ring by introducing complex coefficients. The contamination rule is similar to that of the stationary structure but the contamination strength is time-variant due to the spinning springs. New analytical results and quantitative explanations on the contamination and instability especially their connections are presented. As an application of the proposed method, the free and parametric vibrations of the planetary gear ring are formulated. Main results are demonstrated by means of the numerical simulations and compared with the existing studies.

  2. Magnetic Cycles and Buoyant Magnetic Structures in a Rapidly Rotating Sun

    NASA Astrophysics Data System (ADS)

    Nelson, Nicholas J.; Brown, B. P.; Brun, S.; Miesch, M. S.; Toomre, J.

    2011-01-01

    Observations of sun-like stars rotating faster than our current sun show that they exhibit solar-like magnetic cycles and features, such as star spots. Using global 3-D simulations to study the coupling of large-scale convection, rotation, and magnetism in a younger sun, we have probed the effects of more rapid rotation on stellar dynamos and the nature of magnetic cycles. Our anelastic spherical harmonics (ASH) code allows study of the convective envelope, occupying the outer 30% by radius of a sun-like star. Major MHD simulations carried out at three times the current solar rotation rate reveal magnetic dynamo action that can produce wreaths of strong toroidal magnetic field at low latitudes, often with opposite polarity in the two hemispheres. The presence of the wreaths is quite surprising, for they arise as quite persistent global structures amidst the vigorous and turbulent convection. We have recently explored behavior in systems with considerably lower diffusivities, achieved with a dynamic Smagorinsky treatment of unresolved turbulence. The lower levels of diffusion create magnetic wreaths that undergo prominent variations in field strength, even exhibiting global magnetic cycles that involve polarity reversals. Additionally, during the cycle maximum, when magnetic energies and mean magnetic fields peak, the wreaths possess buoyant magnetic structures that rise coherently through much of the convective envelope via a combination of advection by convective upflows and magnetic buoyancy. We explore aspects of these rising magnetic structures and the evolving global dynamo action which produces them.

  3. In-flight investigation of a rotating cylinder-based structural excitation system for flutter testing

    NASA Technical Reports Server (NTRS)

    Vernon, Lura

    1993-01-01

    A research excitation system was test flown at the NASA Dryden Flight Research Facility on the two-seat F-16XL aircraft. The excitation system is a wingtip-mounted vane with a rotating slotted cylinder at the trailing edge. As the cylinder rotates during flight, the flow is alternately deflected upward and downward through the slot, resulting in a periodic lift force at twice the cylinder's rotational frequency. Flight testing was conducted to determine the excitation system's effectiveness in the subsonic, transonic, and supersonic flight regimes. Primary research objectives were to determine the system's ability to develop adequate force levels to excite the aircraft's structure and to determine the frequency range over which the system could excite structural modes of the aircraft. In addition, studies were conducted to determine optimal excitation parameters, such as sweep duration, sweep type, and energy levels. The results from the exciter were compared with results from atmospheric turbulence excitation at the same flight conditions. The comparison indicated that the vane with a rotating slotted cylinder provides superior results. The results from the forced excitation were of higher quality and had less variation than the results from atmospheric turbulence. The forced excitation data also invariably yielded higher structural damping values than those from the atmospheric turbulence data.

  4. Vortex structures of rotating spin-orbit-coupled Bose-Einstein condensates

    SciTech Connect

    Zhou Xiangfa; Zhou Jing; Wu Congjun

    2011-12-15

    We consider the quasi-two-dimensional two-component Bose-Einstein condensates with Rashba spin-orbit (SO) coupling in a rotating trap. The rotation angular velocity couples to the mechanical angular momentum, which contains a noncanonical part arising from SO coupling. The effects of an external Zeeman term favoring spin polarization along the radial direction is also considered, which has the same form as the noncanonical part of the mechanical angular momentum. The rotating condensate exhibits a variety of rich structures by varying the strengths of the trapping potential and interaction. With a strong trapping potential, the condensate exhibits a half-quantum vortex-lattice configuration. Such a configuration is driven to the normal one by introducing the external radial Zeeman field. In the case of a weak trap potential, the condensate exhibits a multidomain pattern of plane-wave states under the external radial Zeeman field.

  5. A ball-bearing structured triboelectric nanogenerator for nondestructive damage and rotating speed measurement.

    PubMed

    Li, Xiao Hui; Han, Chang Bao; Jiang, Tao; Zhang, Chi; Wang, Zhong Lin

    2016-02-26

    A ball-bearing structure based triboelectric nanogenerator (B-TENG) with interdigitative-electrodes was developed that can not only collect energy from rotational kinetic energy, but also serve as a self-powered and multifunctional sensor. The B-TENG relies on the rolling electrification between PTFE balls on Cu interdigitative-electrodes, which delivers an open-circuit voltage of ∼40 V and a short-circuit current of ∼1.2 μA at a rotating speed of 300 rpm for 4 mm PTFE balls. Using the output signals of B-TENG, a nondestructive detection for the damage of PTFE balls was realized without demounting the bearing. Besides, based on the periodic signals produced from B-TENG, the rotation speed of ball-bearing can be obtained according to the time difference between several cycles. PMID:26808345

  6. A ball-bearing structured triboelectric nanogenerator for nondestructive damage and rotating speed measurement

    NASA Astrophysics Data System (ADS)

    Li, Xiao Hui; Han, Chang Bao; Jiang, Tao; Zhang, Chi; Wang, Zhong Lin

    2016-02-01

    A ball-bearing structure based triboelectric nanogenerator (B-TENG) with interdigitative-electrodes was developed that can not only collect energy from rotational kinetic energy, but also serve as a self-powered and multifunctional sensor. The B-TENG relies on the rolling electrification between PTFE balls on Cu interdigitative-electrodes, which delivers an open-circuit voltage of ∼40 V and a short-circuit current of ∼1.2 μA at a rotating speed of 300 rpm for 4 mm PTFE balls. Using the output signals of B-TENG, a nondestructive detection for the damage of PTFE balls was realized without demounting the bearing. Besides, based on the periodic signals produced from B-TENG, the rotation speed of ball-bearing can be obtained according to the time difference between several cycles.

  7. Structural transformation of macroporous silicon anodes as a result of cyclic lithiation processes

    SciTech Connect

    Li, G. V.; Kulova, T. L.; Tolmachev, V. A. Chernienko, A. V.; Baranov, M. A.; Pavlov, S. I.; Astrova, E. V.; Skundin, A. M.

    2013-09-15

    Anodes based on a regular lattice of macroporous silicon with different periods, sizes, and shapes of pore cross sections are studied. The discharge capacity and its degradation during cycling (embedding and extraction of lithium) are examined. Scanning electron microscopy is used to analyze changes in the electrode structure upon the lithiation/delithiation of Si and to evaluate the elemental composition of the porous material. An ex situ morphological analysis of the electrodes demonstrates that, on the whole, the porous structure is preserved upon cycling and the thickness of silicon walls increases. The degree of Si-wall destruction depends on their initial thickness. Estimates show that the electrolyte reduction process mainly occurs according to the two-electron mechanism, with inorganic salts of lithium formed as a result.

  8. Near-infrared Structure of Fast and Slow-rotating Disk Galaxies

    NASA Astrophysics Data System (ADS)

    Schechtman-Rook, Andrew; Bershady, Matthew A.

    2014-11-01

    We investigate the stellar disk structure of six nearby edge-on spiral galaxies using high-resolution JHK s-band images and three-dimensional radiative transfer models. To explore how mass and environment shape spiral disks, we selected galaxies with rotational velocities between 69 km s-1 structure. Of the fast-rotating (V rot > 150 km s-1) galaxies, only NGC 4013 has the super-thin+thin+thick nested disk structure seen in NGC 891 and the Milky Way, albeit with decreased oblateness, while NGC 1055, a disturbed massive spiral galaxy, contains disks with hz <~ 200 pc. NGC 4565, another fast-rotator, contains a prominent ring at a radius ~5 kpc but no super-thin disk. Despite these differences, all fast-rotating galaxies in our sample have inner truncations in at least one of their disks. These truncations lead to Freeman Type II profiles when projected face-on. Slow-rotating galaxies are less complex, lacking inner disk truncations and requiring fewer disk components to reproduce their light distributions. Super-thin disk components in undisturbed disks contribute ~25% of the total K s-band light, up to that of the thin-disk contribution. The presence of super-thin disks correlates with infrared flux ratios; galaxies with super-thin disks have f{K_s}/f60 μ m ≤ 0.12 for integrated light, consistent with super-thin disks being regions of ongoing star-formation. Attenuation-corrected vertical color gradients in (J - K s) correlate with the observed disk structure and are consistent with population gradients with young-to-intermediate ages closer to the mid-plane, indicating that disk heating—or cooling—is a ubiquitous phenomenon.

  9. Monte Carlo simulation of the crystal structure of the rotator phase of n-paraffins. II. Effects of rotation and translation of the rigid molecules

    NASA Astrophysics Data System (ADS)

    Yamamoto, Takashi

    1988-08-01

    Structures and molecular motions in the rotator phases of n-paraffins are simulated by use of the Monte Carlo method—both rotational and translational degrees of freedom of the molecules being taken into account. Molecules of rigid trans-planar structure are assumed to be placed in a two-dimensional orthorhombic or orthohexagonal lattice with lattice parameters a and b. A model of the nearly continuous molecular motion is adopted in this work; each molecule is assumed to have 36 discrete orientations (in 10° intervals) and 10 discrete translations (in 0.128 Å intervals) around and along the molecular axis, respectively. Molecular packing modes in various lattice systems of different a/b values are examined ranging from that of the ordinary orthorhombic phase (a/b=1.50) to that of the rotator-II (R-II) phase (a/b=31/2). It is found that the crystals in the rotator phases are generally composed of many domains within which molecules are packed more or less in order. In the rotator-I (R-I) phase, fairly large structural changes are observed with the change in a/b value; the structure of the R-I phase reported in our previous MC work should be slightly modified. The structure of the R-II phase, on the other hand, is found to be essentially the same as that of our previous MC work. Modes of the molecular motion in the R-II phase are studied by monitoring the time evolution of the rotational and translational states of all molecules in the system. It is found that the molecules are making fairly active rotational oscillation around one of the six equivalent directions connecting nearest neighbor molecular pairs. The molecules are also making sporadic large rotations to the different directions. The translational motion of the molecules is found to be very active and evidently independent of the rotational motion. The overall molecular motions in the rotator phase are found to be described in terms of the movement of the boundaries of the ordered domains.

  10. Exact solution to the problem of N bodies forming a multi-layer rotating structure.

    PubMed

    Smulsky, Joseph J

    2015-01-01

    Exact solutions to the problem of the Newtonian gravitational interaction of N material points moving around N 2 concentric circular orbits are considered. Each circular orbit contains N 3 axisymmetrically located bodies having identical masses. The structure as a whole rotates around its symmetry axis. Such structures are identical to the homographic-dynamics configurations, or planar central configurations, known from literature. Conceptually, those structures can be considered as structures formed by mutually embedded polygons with point bodies placed at polygon vortices. For structures involving less than 20 bodies, solutions were obtained using Hamiltonian-mechanics methods. In the study, the forces acting on each body in the rotating structure from the side of all other bodies were found. The differential motion equations of the bodies were reduced to a system of linear algebraic equations for the body masses. Solutions in various forms were obtained. For specifying the initial parameters and for calculating all other characteristics of the structures, a computer program RtCrcSt2.for has been developed. Structures comprising up to one million bodies have been calculated. Graphical images of obtained structures are presented, and their properties are described. Stability problems for examined structures are considered, and possible application of obtained results to celestial- and space-mechanics problems is discussed. PMID:26203407

  11. Structure of hybrids based on TEOS-cyclic forms of siloxane system

    NASA Astrophysics Data System (ADS)

    Nocun, Marek; Cholewa-Kowalska, Katarzyna; Łączka, Maria

    2009-12-01

    Hybrid glasses based on tetraethoxysilane (TEOS) modified by addition of selected cyclosiloxanes have been prepared by sol-gel method. Octamethylcyclotetrasiloxane (D4) and 2,4,6,8-tetramethyl-2,4,6,8-tetravinylsiloxane (VMC) have been chosen as an organic modifier of the silica matrix. Molar ratio of TEOS to cyclosiloxane varied from 1:0 to 1:0.5. Structure of prepared hybrids has been studied by infrared spectroscopy (FTIR), photoelectron spectroscopy (XPS) and nuclear magnetic resonance spectroscopy (NMR). Optical properties of bulk glasses in the visible range have also been reported.

  12. Structure fragmentation in Fe-based alloys by means of cyclic martensitic transformations of different types

    PubMed Central

    2014-01-01

    The effect of martensite transformations of different types on the misorientation of austenite crystalline lattice, which characterizes the degree of structure fragmentation, was investigated for Fe-Ni and Fe-Mn alloys. As a result of multiple face-centered cubic (f.c.c.)-body-centered cubic (b.c.c.)-f.c.c. transformations, an austenite single-crystalline specimen is transformed in a polycrystalline one due to progressive fragmentation. It was shown that the degree of fragmentation depends on the magnitude of volume change and the density of dislocations generated on martensitic transformations. PMID:24565160

  13. Structure-activity studies on anticonvulsant sugar sulfamates related to topiramate. Enhanced potency with cyclic sulfate derivatives.

    PubMed

    Maryanoff, B E; Costanzo, M J; Nortey, S O; Greco, M N; Shank, R P; Schupsky, J J; Ortegon, M P; Vaught, J L

    1998-04-01

    We have explored the structure-activity relationship (SAR) surrounding the clinically efficacious antiepileptic drug topiramate (1), a unique sugar sulfamate anticonvulsant that was discovered in our laboratories. Systematic structural modification of the parent compound was directed to identifying potent anticonvulsants with a long duration of action and a favorable neurotoxicity index. In this context, we have probed the pharmacological importance of several molecular features: (1) the sulfamate group (6-8, 22-25, 27, 84), (2) the linker between the sulfamate group and the pyran ring (9, 10, 21a,b), (3) the substituents on the 2,3- (58-60, 85, 86) and 4, 5-fused (30-38, 43, 45-47, 52, 53) 1,3-dioxolane rings, (4) the constitution of the 4,5-fused 1,3-dioxolane ring (2, 54, 55, 63-68, 76, 77, 80, 83a-r, 84-87, 90a, 91a, 93a), (5) the ring oxygen atoms (95, 96, 100-102, 104, 105), and (6) the absolute stereochemistry (106 and 107). We established the C1 configuration as R for the predominant alcohol diastereomer from the highly selective addition of methylmagnesium bromide to aldehyde 15 (16:1 ratio) by single-crystal X-ray analysis of the major diastereomer of sulfamate 21a. Details for the stereoselective syntheses of the hydrindane carbocyclic analogues 95, 96, 100, and 104 are presented. We also report the synthesis of cyclic imidosulfites 90a and 93a, and imidosulfate 91a, which are rare examples in the class of such five-membered-ring sulfur species. Imidosulfite 93a required the preparation and use of the novel sulfur dichloride reagent, BocN=SCl2. Our SAR investigation led to the impressive 4,5-cyclic sulfate analogue 2 (RWJ-37947), which exhibits potent anticonvulsant activity in the maximal electroshock seizure (MES) test (ca. 8 times greater than 1 in mice at 4 h, ED50 = 6.3 mg/kg; ca. 15 times greater than 1 in rats at 8 h, ED50 = 1.0 mg/kg) with a long duration of action (>24 h in mice and rats, po) and very low neurotoxicity (TD50 value of >1000 mg

  14. Similarity recognition of molecular structures by optimal atomic matching and rotational superposition.

    PubMed

    Helmich, Benjamin; Sierka, Marek

    2012-01-15

    An algorithm for similarity recognition of molecules and molecular clusters is presented which also establishes the optimum matching among atoms of different structures. In the first step of the algorithm, a set of molecules are coarsely superimposed by transforming them into a common reference coordinate system. The optimum atomic matching among structures is then found with the help of the Hungarian algorithm. For this, pairs of structures are represented as complete bipartite graphs with a weight function that uses intermolecular atomic distances. In the final step, a rotational superposition method is applied using the optimum atomic matching found. This yields the minimum root mean square deviation of intermolecular atomic distances with respect to arbitrary rotation and translation of the molecules. Combined with an effective similarity prescreening method, our algorithm shows robustness and an effective quadratic scaling of computational time with the number of atoms. PMID:21997798

  15. Equilibrium structures of heterocyclic molecules with large principal axis rotations upon isotopic substitution.

    PubMed

    Demaison, Jean; Császár, Attila G; Margulès, Laurent D; Rudolph, Heinz Dieter

    2011-12-01

    Equilibrium structures, r(e), of the heterocyclic molecules oxirane, furazan, furan, ethylene ozonide, and 1,3,4-oxadiazole have been determined using three different, somewhat complementary techniques: a completely experimental technique (r(m)), a semiexperimental technique (r(e)(SE), whereby equilibrium rotational constants are derived from experimental effective ground-state rotational constants and corrections based principally on an ab initio cubic force field), and an ab initio technique (r(e)(BO), whereby geometry optimizations are usually performed at the coupled cluster level of theory including single and double excitations augmented by a perturbational estimate of the effects of connected triple excitations [CCSD(T)] using quadruple-ζ Gaussian basis sets). All these molecules are asymmetric tops with the moment of inertia I(c) much larger than the other two moments of inertia, I(a) and I(b). Molecules of this shape experience a large rotation of the principal axis system upon certain isotopic substitutions. For such isotopologues it is difficult to obtain a good structural fit to the semiexperimental moments of inertia I(a) and I(b), which may significantly reduce the accuracy of the r(e)(SE) structural parameters. The origin of this difficulty is explained. For the heavy-atom skeleton of these molecules it was possible to determine a rather accurate empirical mass-dependent structure without a priori knowledge of the equilibrium structure. PMID:22032750

  16. Structure and mode of action of cyclic lipopeptide pseudofactin II with divalent metal ions.

    PubMed

    Janek, Tomasz; Rodrigues, Lígia R; Gudiña, Eduardo J; Czyżnikowska, Żaneta

    2016-10-01

    The interaction of natural lipopeptide pseudofactin II with a series of doubly charged metal cations was examined by matrix-assisted laser-desorption ionization-time of flight (MALDI-TOF) mass spectrometry and molecular modelling. The molecular modelling for metal-pseudofactin II provides information on the metal-peptide binding sites. Overall, Mg(2+), Ca(2+) and Zn(2+) favor the association with oxygen atoms spanning the peptide backbone, whereas Cu(2+) is coordinated by three nitrogens. Circular dichroism (CD) results confirmed that Zn(2+) and Cu(2+) can disrupt the secondary structure of pseudofactin II at high concentrations, while Ca(2+) and Mg(2+) did not essentially affect the structure of the lipopeptide. Interestingly, our results showed that the addition of Zn(2+) and Cu(2+) helped smaller micelles to form larger micellar aggregates. Since pseudofactin II binds metals, we tested whether this phenomena was somehow related to its antimicrobial activity against Staphylococcus epidermidis and Proteus mirabilis. We found that the antimicrobial effect of pseudofactin II was increased by supplementation of culture media with all tested divalent metal ions. Finally, by using Gram-positive and Gram-negative bacteria we showed that the higher antimicrobial activity of metal complexes of pseudofactin II is attributed to the disruption of the cytoplasmic membrane. PMID:27416562

  17. A comparison of VRML and animation of rotation for teaching 3-dimensional crystal lattice structures

    NASA Astrophysics Data System (ADS)

    Sauls, Barbara Lynn

    Chemistry students often have difficulty visualizing abstract concepts of molecules and atoms, which may lead to misconceptions. The three-dimensionality of these structures presents a challenge to educators. Typical methods of teaching include text with two-dimensional graphics and structural models. Improved methods to allow visualization of 3D structures may improve learning of these concepts. This research compared the use of Virtual Reality Modeling Language (VRML) and animation of rotation for teaching three-dimensional structures. VRML allows full control of objects by altering angle, size, rotation, and provides the ability to zoom into and through objects. Animations may only be stopped, restarted and replayed. A web-based lesson teaching basic concepts of crystals, which requires comprehension of their three-dimensional structure was given to 100 freshmen chemistry students. Students were stratified by gender then randomly to one of two lessons, which were identical except for the multimedia method used to show the lattices and unit cells. One method required exploration of the structures using VRML, the other provided animations of the same structures rotating. The students worked through an examination as the lesson progressed. A Welch t' test was used to compare differences between groups. No significant difference in mean achievement was found between the two methods, between genders, or within gender. There was no significant difference in mean total SAT in the animation and VRML group. Total time on task had no significant difference nor did enjoyment of the lesson. Students, however, spent 14% less time maneuvering VRML structures than viewing the animations of rotation. Neither method proved superior for presenting three-dimensional information. The students spent less time maneuvering the VRML structures with no difference in mean score so the use of VRML may be more efficient. The investigator noted some manipulation difficulties using VRML to

  18. Structural Assembly of Multidomain Proteins and Protein Complexes Guided by the Overall Rotational Diffusion Tensor

    PubMed Central

    Ryabov, Yaroslav; Fushman, David

    2008-01-01

    We present a simple and robust approach that uses the overall rotational diffusion tensor as a structural constraint for domain positioning in multidomain proteins and protein-protein complexes. This method offers the possibility to use NMR relaxation data for detailed structure characterization of such systems provided the structures of individual domains are available. The proposed approach extends the concept of using long-range information contained in the overall rotational diffusion tensor. In contrast to the existing approaches, we use both the principal axes and principal values of protein’s rotational diffusion tensor to determine not only the orientation but also the relative positioning of the individual domains in a protein. This is achieved by finding the domain arrangement in a molecule that provides the best possible agreement with all components of the overall rotational diffusion tensor derived from experimental data. The accuracy of the proposed approach is demonstrated for two protein systems with known domain arrangement and parameters of the overall tumbling: the HIV-1 protease homodimer and Maltose Binding Protein. The accuracy of the method and its sensitivity to domain positioning is also tested using computer-generated data for three protein complexes, for which the experimental diffusion tensors are not available. In addition, the proposed method is applied here to determine, for the first time, the structure of both open and closed conformations of Lys48-linked di-ubiquitin chain, where domain motions render impossible accurate structure determination by other methods. The proposed method opens new avenues for improving structure characterization of proteins in solution. PMID:17550252

  19. The rotational order–disorder structure of the reversibly photoswitchable red fluorescent protein rsTagRFP

    SciTech Connect

    Pletnev, Sergei; Subach, Fedor V.; Verkhusha, Vladislav V.; Dauter, Zbigniew

    2014-01-01

    An analysis of the rotational order–disorder structure of the reversibly photoswitchable red fluorescent protein rsTagRFP is presented. The rotational order–disorder (OD) structure of the reversibly photoswitchable fluorescent protein rsTagRFP is discussed in detail. The structure is composed of tetramers of 222 symmetry incorporated into the lattice in two different orientations rotated 90° with respect to each other around the crystal c axis and with tetramer axes coinciding with the crystallographic twofold axes. The random distribution of alternatively oriented tetramers in the crystal creates the rotational OD structure with statistically averaged I422 symmetry. Despite order–disorder pathology, the structure of rsTagRFP has electron-density maps of good quality for both non-overlapping and overlapping parts of the model. The crystal contacts, crystal internal architecture and a possible mechanism of rotational OD crystal formation are discussed.

  20. Estrogenic activity of bis(4-hydroxyphenyl)methanes with cyclic hydrophobic structure.

    PubMed

    Kojima, Tomohiro; Ogawa, Takumi; Kitao, Souichiro; Sato, Manabu; Oda, Akifumi; Ohta, Kiminori; Endo, Yasuyuki

    2015-11-01

    Monoalkylated bis(4-hydroxyphenyl)methanes (e.g., 1) are reported to show weak binding affinity for estrogen receptor (ER). We hypothesized that introduction of appropriately located hydrophobic substituents in these compounds would increase the binding affinity. Indeed, we found that bis(4-hydroxyphenyl)methane bearing a 3,3-dimethylcyclohexyl group (7) shows potent ERα binding affinity, comparable to that of estradiol. Bulkier substituents could be introduced at the 3,3-position without decreasing the affinity. However, the position of the substituents was critical: the 4,4-dimethylcyclohexyl derivative (2) showed very weak binding affinity. The compounds with high ER-binding affinity showed predominantly agonistic activity, together with weak antagonistic activity at high concentration, in cell proliferation assay with human breast cancer cell line MCF-7. Further structure-function studies of these compounds and their derivatives might lead to the development of more selective and potent estrogen receptor modulators. PMID:26462053

  1. Experimental study of three-dimensional vortex structures in translating and rotating plates

    NASA Astrophysics Data System (ADS)

    Kim, D.; Gharib, M.

    2010-07-01

    Motivated by the unsteady force generation of flying animals, vortex formation and vorticity transport processes around small aspect-ratio translating and rotating plates with a high angle of attack are investigated. Defocusing Digital Particle Image Velocimetry was employed to explore the structure and dynamics of the vortex generated by the plates. For both translating and rotating cases, we observe the presence of a spanwise flow over the plate and the consequent effect of vorticity transport due to the tilting of the leading-edge vortex. While the spanwise flow is confined inside the leading-edge vortex for the translating case, it is widely present over the plate and the wake region of the rotating case. The distribution of the spanwise flow is a prominent distinction between the vortex structures of these two cases. As the Reynolds number decreases, due to the increase in viscosity, the leading-edge and tip vortices tend to spread inside the area swept by the rotating plate. The different vorticity distributions of the low and high Reynolds number cases are consistent with the difference in measured lift forces, which is confirmed using the vorticity moment theory.

  2. Rotational spectra and gas phase structure of the maleimide - Formic acid doubly hydrogen bonded dimer

    NASA Astrophysics Data System (ADS)

    Pejlovas, Aaron M.; Kukolich, Stephen G.

    2016-03-01

    Rotational transitions were measured for the maleimide - formic acid doubly hydrogen bonded dimer using a Flygare-Balle type pulsed-beam Fourier transform microwave spectrometer. No splittings caused by possible concerted double proton tunneling motion were observed. Experimental rotational constants (MHz), quadrupole coupling constants (MHz), and centrifugal distortion constants (kHz) were determined for the parent and three deuterium substituted isotopologues. The values for the parent are A = 2415.0297(10), B = 784.37494(38), C = 592.44190(33), DJ = 0.0616(64), DJK = -0.118(35), DK = -1.38(15), 1.5χaa = 2.083(14), and 0.25(χbb-χcc) = 1.1565(29). The hydrogen bond lengths were determined using a nonlinear least squares structure fitting program. Rotational constants for this complex are consistent with a planar structure, with an inertial defect of Δ = -0.528 amu Å2. The B3LYP calculation yielded rotational constants within 0.1% of the experimental values.

  3. Nucleoprotein structure influences the response of the mouse mammary tumor virus promoter to activation of the cyclic AMP signalling pathway.

    PubMed Central

    Pennie, W D; Hager, G L; Smith, C L

    1995-01-01

    Recent studies have provided evidence of crosstalk between steroid receptors and cyclic AMP (cAMP) signalling pathways in the regulation of gene expression. A synergism between intracellular phosphorylation inducers and either glucocorticoids or progestins has been shown to occur during activation of the mouse mammary tumor virus (MMTV) promoter. We have investigated the effect of 8-Br-cAMP and okadaic acid, modulators of cellular kinases and phosphatases, on the hormone-induced activation of the MMTV promoter in two forms: a transiently transfected template with a disorganized, accessible nucleoprotein structure and a stably replicating template with an ordered, inaccessible nucleoprotein structure. Both okadaic acid and 8-Br-cAMP synergize significantly with either glucocorticoids or progestins in activating the transiently transfected MMTV template. In contrast, 8-Br-cAMP, but not okadaic acid, is antagonistic to hormone-induced activation of the stably replicating MMTV template. Nuclear run-on experiments demonstrate that this inhibition is a transcriptional effect on both hormone-induced transcription and basal transcription. Surprisingly, 8-Br-cAMP does not inhibit glucocorticoid-induced changes in restriction enzyme access and nuclear factor 1 binding. However, association of a complex with the TATA box region is inhibited in the presence of 8-Br-cAMP. Thus, cAMP treatment interferes with the initiation process but does not inhibit interaction of the receptor with the template. Since the replicated, ordered MMTV templates and the transfected, disorganized templates show opposite responses to 8-Br-cAMP treatment, we conclude that chromatin structure can influence the response of a promoter to activation of the cAMP signalling pathway. PMID:7891707

  4. A dynamical (e,2e) investigation of the structurally related cyclic ethers tetrahydrofuran, tetrahydropyran, and 1,4-dioxane

    NASA Astrophysics Data System (ADS)

    Builth-Williams, J. D.; Bellm, S. M.; Chiari, L.; Thorn, P. A.; Jones, D. B.; Chaluvadi, H.; Madison, D. H.; Ning, C. G.; Lohmann, B.; da Silva, G. B.; Brunger, M. J.

    2013-07-01

    Triple differential cross section measurements for the electron-impact ionization of the highest occupied molecular orbitals of tetrahydropyran and 1,4-dioxane are presented. For each molecule, experimental measurements were performed using the (e,2e) technique in asymmetric coplanar kinematics with an incident electron energy of 250 eV and an ejected electron energy of 20 eV. With the scattered electrons being detected at -5°, the angular distributions of the ejected electrons in the binary and recoil regions were observed. These measurements are compared with calculations performed within the molecular 3-body distorted wave model. Here, reasonable agreement was observed between the theoretical model and the experimental measurements. These measurements are compared with results from a recent study on tetrahydrofuran [D. B. Jones, J. D. Builth-Williams, S. M. Bellm, L. Chiari, C. G. Ning, H. Chaluvadi, B. Lohmann, O. Ingolfsson, D. Madison, and M. J. Brunger, Chem. Phys. Lett. 572, 32 (2013)] in order to evaluate the influence of structure on the dynamics of the ionization process across this series of cyclic ethers.

  5. Cyclic evolution of the defect structure in a deformation macrolocalization zone in an HCP Zr-Nb alloy

    NASA Astrophysics Data System (ADS)

    Poletika, T. M.; Girsova, S. L.; Pshenichnikov, A. P.

    2011-10-01

    The microstructure of a Zr-1% Nb is studied in a deformation macrolocalization zone during its transformation into a neck. The related dislocation transformations are found to be cyclic, and this cyclicity is accompanied by oscillatory changes in the volumes occupied by different dislocation substructures, the scalar dislocation density, the subboundary density, and periodic relaxation of internal stresses as a result of the decomposition of low-angle subboundaries and dislocation redistribution.

  6. Annual reversible plasticity of feeding structures: cyclical changes of jaw allometry in a sea urchin

    PubMed Central

    Ebert, Thomas A.; Hernández, José Carlos; Clemente, Sabrina

    2014-01-01

    A wide variety of organisms show morphologically plastic responses to environmental stressors but in general these changes are not reversible. Though less common, reversible morphological structures are shown by a range of species in response to changes in predators, competitors or food. Theoretical analysis indicates that reversible plasticity increases fitness if organisms are long-lived relative to the frequency of changes in the stressor and morphological changes are rapid. Many sea urchin species show differences in the sizes of jaws (demi-pyramids) of the feeding apparatus, Aristotle's lantern, relative to overall body size, and these differences have been correlated with available food. The question addressed here is whether reversible changes of relative jaw size occur in the field as available food changes with season. Monthly samples of the North American Pacific coast sea urchin Strongylocentrotus purpuratus were collected from Gregory Point on the Oregon (USA) coast and showed an annual cycle of relative jaw size together with a linear trend from 2007 to 2009. Strongylocentrotus purpuratus is a long-lived species and under field conditions individuals experience multiple episodes of changes in food resources both seasonally and from year to year. Their rapid and reversible jaw plasticity fits well with theoretical expectations. PMID:24500161

  7. Volcanics and structure of the famous narrowgate rift: Evidence for cyclic evolution: AMAR 1

    SciTech Connect

    Crane, K.; Ballard, R.D.

    1981-06-10

    A near-bottom photographic survey on the Mid-Atlantic Ridge from the FAMOUS region south to Transform B reveals structural and volcanologic evidence for an alternating widening and narrowing rift valley. Extension wedges appear to be propagating south from Transform A and north from Transform B. These merge at Mt. Mars, where the rift valley is narrowest and shallowest (Narrowgate), giving the valley a symmetrical hourglass shape. Three major volcanic en echelon lineaments trend N10 /sup 0/E, 10/sup 0/ oblique to the strike of the inner walls. Faulting and fissuring are antisymmetrical across the rift valley in contrast to the major extension. This contrasting antisymmetry reflects the surficial distribution of stress across crust of varying strengths, whereas the large-scale wedge phenomenon determines the periodicity of transition from a narrow valley to a wide valley. Using vector analysis, the extension wedges are propagating at about 9 cm/yr toward each other. At this rate a narrow rift valley will be fully transformed into wide rift in 0.64 m.y.

  8. Performance evaluation of a novel rotational damper for structural reinforcement steel frames subjected to lateral excitations

    NASA Astrophysics Data System (ADS)

    Sanati, M.; Khadem, S. E.; Mirzabagheri, S.; Sanati, H.; Khosravieh, M. Y.

    2014-03-01

    In this study, a novel rotational damper called a Rotational Friction Viscoelastic Damper (RFVD) is introduced. Some viscoelastic pads are added to the Rotational Friction Damper (RFD) in addition to the friction discs used in this conventional device. Consequently, the amount of energy dissipated by the damper increases in low excitation frequencies. In fact, the input energy to the structure is simultaneously dissipated in the form of friction and heat by frictional discs and viscoelastic pads. In order to compare the performance of this novel damper with the earlier types, a set of experiments were carried out. According to the test results, the RFVD showed a better performance in dissipating input energy to the structure when compared to the RFD. The seismic behavior of steel frames equipped with these dampers was also numerically evaluated based on a nonlinear time history analysis. The numerical results verified the performance of the dampers in increasing the energy dissipation and decreasing the energy input to the structural elements. In order to achieve the maximum dissipated energy, the dampers need to be installed in certain places called critical points in the structure. An appropriate approach is presented to properly find these points. Finally, the performance of the RFVDs installed at these critical points was investigated in comparison to some other configurations and the validity of the suggested method in increasing the energy dissipation was confirmed.

  9. Rotational Structure of the Ir/fir Bands of Small Pahs

    NASA Astrophysics Data System (ADS)

    Pirali, O.; Gruet, S.; Vervloet, M.; Goubet, M.; Huet, T. R.; Georges, R.; Soulard, P.; Asselin, P.

    2013-06-01

    Accurate spectroscopic measurements in the laboratory of PAH molecules are required to better understand their excitation/relaxation processes which could be responsible for the Unidentified Infrared Bands observed in various objects in space. In particular very few is known concerning the rotational structure of the IR/FIR bands of PAHs. We used the high resolution Fourier Transform interferometer of the AILES beamline of synchrotron SOLEIL to record the rotationally resolved spectra of several IR/FIR vibrational modes of naphthalene (C_{10}H_{8}) and its derivatives: quinoline (C_9H_7N), isoquinoline (C_9H_7N), azulene (C_{10}H_{8}), quinoxaline (C_8H_6N_2), quinazoline (C_8H_6N_2). Firstly, the intense band associated with the ν_{46} CH bending out of plane mode of naphthalene recorded under jet conditions (Jet-AILES experiment developed on the AILES beamline by the IPR-LADIR-PhLAM consortium) revealed transitions involving low J and Ka rotational quantum numbers. These new data permitted to accurately fit the ground state rotational constants and to improve the ν_{46} band constants. As a second step, we performed the rotational analysis of the low frequency ν_{47} and ν_{48} bands of naphthalene recorded at room-temperature in the long absorption pathlength cell from ISMO. As a last step, the high resolution spectra of several bands of azulene, quinoline, isoquinoline and quinoxaline were recorded at room temperature and analyzed using the same procedure. All the rotational constants fitted in the present work were compared to the results of anharmonic DFT calculations realized at various levels of accuracy. S. Albert, et al.; Faraday Discussions, 150, 51 (2011)

  10. Structure-structure coupling by liquids: Vibration measurements on a rotating disk with self-tracking LDV

    NASA Astrophysics Data System (ADS)

    Weder, Mario; Horisberger, Beat; Monette, Christine; Dual, Jürg

    2016-06-01

    We present an experimental setup to investigate the structure-structure coupling of a stationary and a rotating disk coupled by an intermediate liquid. This coupling mechanism is particularly important in the mechanical design of Francis turbines, where the vibration of the turbine runner is coupled with the adjacent non-rotating structure. The vibration of the disks is measured using laser Doppler velocimetry (LDV). Whereas we could use a standard scanning LDV system to measure the stationary disk, we had to design and implement a polar scan unit based on the self-tracking LDV method. Here we show the design concept of the setup with a closer look on the self-tracking LDV system as well as selected results of the coupled vibration.

  11. Vortex structures of rotating Bose-Einstein condensates in an anisotropic harmonic potential

    SciTech Connect

    Matveenko, S. I.

    2010-09-15

    We found an analytical solution for the vortex structure in a rapidly rotating trapped Bose-Einstein condensate in the lowest Landau level approximation. This solution is exact in the limit of a large number of vortices and is obtained for the case of a condensate in a anisotropic harmonic potential. The solution describes as limiting cases both a triangle vortex lattice in the symmetric potential trap and a quasi-one-dimensional structure of vortex rows in an asymmetric case, when the rotation frequency is very close to the lower trapping potential frequency. The shape of the density profile is found to be close to the Thomas-Fermi inverted paraboloid form, except in the vicinity of edges of a condensate cloud.

  12. Observations of rotational discontinuity-slow expansion fan structure of the magnetotail boundary

    SciTech Connect

    Sanchez, E.R.; Siscoe, G.L. ); Gosling, J.T.; Hones, E.W. Jr. ); Lepping, R.P. )

    1990-01-01

    This paper gives the first explicit test of the rotational discontinuity-slow expansion fan structure predicted by MHD models of the open tail boundary. The authors analyzed the magnetic field and plasma data collected by IMP 8 during its magnetotail boundary crossings at geocentric distances near 25 R{sub e} and high latitudes. Many crossings show the particle and field signatures of the paired MHD tail boundary structure. The openness of the tail is revealed by rotational discontinuities. They often show relatively large normal magnetic field components. Other crossings show properties that suggest a tangential discontinuity and reveal regions where or times when the tail is closed. They give examples of each here.

  13. eCG concentrations, luteal structures, return to cyclicity, and postabortion fertility in embryo transfer recipient mares.

    PubMed

    Cuervo-Arango, J; Aguilar, J J; Vettorazzi, M L; Martínez-Boví, R

    2015-10-01

    The present study characterizes the relationship between the levels of eCG, ovarian morphology, resumption of cyclicity, and fertility in postaborted embryo transfer recipient mares. A total of 32 pregnant recipient mares carrying a male fetus were aborted at approximately 65 days of gestation by single transcervical administration of cloprostenol. In addition, 25 gestation age-matched mares were used as nonaborted controls. The concentration of progesterone, but not of eCG, differed significantly between controls and aborted mares 48 hours after abortion. Of treated mares, 84.4% (27 of 32) expelled the fetus within 48 hours of treatment. The eCG concentration and the number of supplementary luteal structures were lower in mares aborted in November (equivalent to May in Northern Hemisphere) than in January. A total of 6.2%, 37.5%, and 56.2% of the mares entered anestrus, ovulated normally, and had 1 to 2 consecutive anovulatory cycles, respectively. The mean interval from abortion to the first ovulation was 28.5 ± 3.3 days (range, 5-65 days). The correlation between the levels of eCG at abortion and the interval to the first ovulation was poor (r = 0.38; P = 0.03). Of aborted mares, 90% (18 of 20) were reused and became pregnant after embryo transfer at a mean of 57.6 ± 4.4 days after abortion (range, 19-103 days) and eCG concentration of 0.9 ± 0.3 IU/mL (range, 0.1-3.6 IU/mL). In conclusion, the levels of eCG at the time of abortion were extremely variable and did not correlate well with the number of luteal structures or the interval from abortion to the first ovulation. PMID:26143362

  14. Effect of isomeric structures of branched cyclic hydrocarbons on densities and equation of state predictions at elevated temperatures and pressures.

    PubMed

    Wu, Yue; Bamgbade, Babatunde A; Burgess, Ward A; Tapriyal, Deepak; Baled, Hseen O; Enick, Robert M; McHugh, Mark A

    2013-07-25

    The cis and trans conformation of a branched cyclic hydrocarbon affects the packing and, hence, the density, exhibited by that compound. Reported here are density data for branched cyclohexane (C6) compounds including methylcyclohexane, ethylcyclohexane (ethylcC6), cis-1,2-dimethylcyclohexane (cis-1,2), cis-1,4-dimethylcyclohexane (cis-1,4), and trans-1,4-dimethylcyclohexane (trans-1,4) determined at temperatures up to 525 K and pressures up to 275 MPa. Of the four branched C6 isomers, cis-1,2 exhibits the largest densities and the smallest densities are exhibited by trans-1,4. The densities are modeled with the Peng-Robinson (PR) equation of state (EoS), the high-temperature, high-pressure, volume-translated (HTHP VT) PREoS, and the perturbed chain, statistical associating fluid theory (PC-SAFT) EoS. Model calculations highlight the capability of these equations to account for the different densities observed for the four isomers investigated in this study. The HTHP VT-PREoS provides modest improvements over the PREoS, but neither cubic EoS is capable of accounting for the effect of isomer structural differences on the observed densities. The PC-SAFT EoS, with pure component parameters from the literature or from a group contribution method, provides improved density predictions relative to those obtained with the PREoS or HTHP VT-PREoS. However, the PC-SAFT EoS, with either set of parameters, also cannot fully account for the effect of the C6 isomer structure on the resultant density. PMID:23815675

  15. Effect of Isomeric Structures of Branched Cyclic Hydrocarbons on Densities and Equation of State Predictions at Elevated Temperatures and Pressures

    SciTech Connect

    Wu, Yue; Bamgbade, Babatunde A; Burgess, Ward A; Tapriyal, Deepak; Baled, Hseen O; Enick, Robert M; McHugh, Mark

    2013-07-25

    The cis and trans conformation of a branched cyclic hydrocarbon affects the packing and, hence, the density, exhibited by that compound. Reported here are density data for branched cyclohexane (C6) compounds including methylcyclohexane, ethylcyclohexane (ethylcC6), cis-1,2-dimethylcyclohexane (cis-1,2), cis-1,4-dimethylcyclohexane (cis-1,4), and trans-1,4-dimethylcyclohexane (trans-1,4) determined at temperatures up to 525 K and pressures up to 275 MPa. Of the four branched C6 isomers, cis-1,2 exhibits the largest densities and the smallest densities are exhibited by trans-1,4. The densities are modeled with the Peng–Robinson (PR) equation of state (EoS), the high-temperature, high-pressure, volume-translated (HTHP VT) PREoS, and the perturbed chain, statistical associating fluid theory (PC-SAFT) EoS. Model calculations highlight the capability of these equations to account for the different densities observed for the four isomers investigated in this study. The HTHP VT-PREoS provides modest improvements over the PREoS, but neither cubic EoS is capable of accounting for the effect of isomer structural differences on the observed densities. The PC-SAFT EoS, with pure component parameters from the literature or from a group contribution method, provides improved density predictions relative to those obtained with the PREoS or HTHP VT-PREoS. However, the PC-SAFT EoS, with either set of parameters, also cannot fully account for the effect of the C6 isomer structure on the resultant density.

  16. Internal rotation and equilibrium structure of 2-nitropropane from gas electron diffraction and quantum chemistry

    NASA Astrophysics Data System (ADS)

    Tarasov, Yu. I.; Kochikov, I. V.; Kovtun, D. M.; Ivanov, A. A.

    2009-03-01

    In this paper, the equilibrium structural parameters of the 2-nitropropane molecule and the barrier of internal rotation of the nitrogroup are determined from the gas electron diffraction data, with the use of quantum chemistry calculations and experimental vibrational frequencies, in the framework of the large-amplitude motion model for internal rotation. Quantum chemistry calculations at the MP2 and B3LYP levels of theory with various Pople and Dunning basis sets unambiguously predict the same minimum energy molecular conformation, with relatively close values of internal rotation barrier (375-525 cm -1). The results of present analysis show that the minimum of the potential function of the nitrogroup internal rotation is located in syn-H position when one of the oxygen atoms eclipses hydrogen atom that does not belong to any of CH 3 groups (dihedral angle H-C-N-O is zero). It has also been found that internal rotation is hindered, with the barrier height in the range of 220-560 cm -1 (0.6-1.6 kcal/mol) with the most probable value near 380 cm -1 (1.1 kcal/mol). The main equilibrium structure parameters in syn-H configuration are as follows (values in parentheses correspond to 3 times standard deviations): re(C-C) = 1.516(5) Å, re(C-N) = 1.501(5) Å, re (N dbnd O) = 1.225(4) Å, ∠C-C-N=108.7(1.0)°,∠O dbnd N dbnd O =124.8(0.4)°. We also provide thermally averaged parameters for comparison with the results of previous studies.

  17. HD 18078: A very slowly rotating Ap star with an unusual magnetic field structure

    NASA Astrophysics Data System (ADS)

    Mathys, G.; Romanyuk, I. I.; Kudryavtsev, D. O.; Landstreet, J. D.; Pyper, D. M.; Adelman, S. J.

    2016-02-01

    Context. The existence of a significant population of Ap stars with very long rotation periods (up to several hundred years) has progressively emerged over the past two decades. However, only lower limits of the periods are known for most of them because their variations have not yet been observed over a sufficient timebase. Aims: We determine the rotation period of the slowly rotating Ap star HD 18078 and we derive constraints on the geometrical structure of its magnetic field. Methods: We combine measurements of the mean magnetic field modulus obtained from 1990 to 1997 with determinations of the mean longitudinal magnetic field spanning the 1999-2007 time interval to derive an unambiguous value of the rotation period. We show that this value is consistent with photometric variations recorded in the Strömgren uvby photometric system between 1995 and 2004. We fit the variations of the two above-mentioned field moments with a simple model to constrain the magnetic structure. Results: The rotation period of HD 18078 is (1358 ± 12) d. The geometrical structure of its magnetic field is consistent to first order with a colinear multipole model whose axis is offset from the centre of the star. Conclusions: HD 18078 is only the fifth Ap star with a rotation period longer than 1000 d for which the exact value of that period (as opposed to a lower limit) could be determined. The strong anharmonicity of the variations of its mean longitudinal magnetic field and the shift between their extrema and those of the mean magnetic field modulus are exceptional and indicative of a very unusual magnetic structure. Based in part on observations made at Observatoire de Haute Provence (CNRS), France; at Kitt Peak National Observatory, National Optical Astronomy Observatory (NOAO Prop. ID: KP2442; PI: T. Lanz), which is operated by the Association of Universities for Research in Astronomy (AURA) under cooperative agreement with the National Science Foundation; at the Canada

  18. Clues for a Tortonian reconstruction of the Gibraltar Arc: Structural pattern, deformation diachronism and block rotations

    NASA Astrophysics Data System (ADS)

    Crespo-Blanc, Ana; Comas, Menchu; Balanyá, Juan Carlos

    2016-06-01

    We proposed a reconstruction of one of the tightest orogenic arcs on Earth: the Gibraltar Arc System. This reconstruction, which includes onshore and offshore data, is completed for approximately 9 Ma. The clues that lead us to draw it are based on a review in terms of structures and age of the superposed deformational events that took place during Miocene, with special attention to the external zones. This review and new structural data presented in this paper permit us to constrain the timing of vertical axis-rotations evidenced by previously published paleomagnetic data, and to identify homogeneous domains in terms of relationships between timing of deformation events, (re)magnetization and rotations. In particular, remagnetization in the Betics took place after the main shortening which produced the external fold-and-thrust belts (pre-upper Miocene), but was mostly previous to a contractive reorganization that affected the whole area; it should have occurred during lower Tortonian (between 9.9 and 11 Ma). From Tortonian to Present, block-rotations as high as 53° took place. Together with plate convergence, they accommodated a tightening and lengthening of the Gibraltar Arc System and drastically altered its geometry. As the orientation and position of any pre-9 Ma kinematic indicator or structural element is also modified, our reconstruction should be used as starting point for any pre-Tortonian model of the westernmost orogenic segment of the Alpine-Mediterranean system.

  19. Prediction and verification of creep behavior in metallic materials and components for the space shuttle thermal protection system. Volume 2: Phase 2 subsize panel cyclic creep predictions

    NASA Technical Reports Server (NTRS)

    Cramer, B. A.; Davis, J. W.

    1975-01-01

    A method for predicting permanent cyclic creep deflections in stiffened panel structures was developed. The resulting computer program may be applied to either the time-hardening or strain-hardening theories of creep accumulation. Iterative techniques were used to determine structural rotations, creep strains, and stresses as a function of time. Deflections were determined by numerical integration of structural rotations along the panel length. The analytical approach was developed for analyzing thin-gage entry vehicle metallic-thermal-protection system panels subjected to cyclic bending loads at high temperatures, but may be applied to any panel subjected to bending loads. Predicted panel creep deflections were compared with results from cyclic tests of subsize corrugation and rib-stiffened panels. Empirical equations were developed for each material based on correlation with tensile cyclic creep data and both the subsize panels and tensile specimens were fabricated from the same sheet material. For Vol. 1, see N75-21431.

  20. A link between structure, diffusion and rotations of hydrogen bonding tracers in ionic liquids.

    PubMed

    Araque, Juan C; Daly, Ryan P; Margulis, Claudio J

    2016-05-28

    When solutes are small compared to the size of the ions in an ionic liquid, energetic heterogeneities associated with charge enhanced (stiff) and charge depleted (soft) nanoenvironments are sampled. In a recent article [J. C. Araque et al., J. Phys. Chem. B 119(23), 7015-7029 (2015)], we explored large deviations from Stokes-Einstein translational diffusion caused by such a heterogeneity. The current article is set to explore the effect of soft and stiff solvent environments (i.e., structure) on OH-bond rotations in the case of water and small alcohols in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (Im1,2 (+)NTf2 (-)). Is solute rotational dynamics heterogeneous? If so, are solute rotations and translations coupled in the sense that stiff and soft solvent environments hinder or speed up both types of dynamics? For the systems studied here, there appears to be a clear connection between translations, rotations, and stiff/soft solvent environments. We also discuss interesting asymmetries of the correlation between solutes with anions and cations. PMID:27250313

  1. Tectonic rotations and internal structure of Eocene plutons in Chuquicamata, northern Chile

    NASA Astrophysics Data System (ADS)

    Somoza, R.; Tomlinson, A. J.; Zaffarana, C. B.; Singer, S. E.; Puigdomenech Negre, C. G.; Raposo, M. I. B.; Dilles, J. H.

    2015-07-01

    A paleomagnetic and AMS study on Eocene plutonic complexes in the Calama area, northern Chile, reveals high-temperature, high-coercivity magnetizations of dominantly thermoremanent origin and magnetic fabrics controlled by magnetite. The paleomagnetic results indicate that ~ 43 Ma plutons underwent clockwise tectonic rotation, whereas adjacent ~ 39 Ma plutons did not undergo discernible rotation. This points to a middle Eocene age for the younger tectonic rotations associated with the Central Andean Rotation Pattern in the Chuquicamata-Calama area. The petrofabric in these rocks formed under conditions ranging from purely magmatic (i.e. before full crystallization) to low-temperature solid-state deformation. AMS and paleomagnetism suggest that the plutonic bodies were formed by progressive amalgamation of subvertical magma sheets spanning multiple magnetic polarity chrons. The parallelism between magmatic and tectonic foliations suggests that regional tectonic stress controlled ascent, emplacement and rock deformation during cooling. In this context, we suggest that magma ascent and emplacement in the upper crust likely exploited Mesozoic structures which were locally reactivated in the Eocene.

  2. A link between structure, diffusion and rotations of hydrogen bonding tracers in ionic liquids

    NASA Astrophysics Data System (ADS)

    Araque, Juan C.; Daly, Ryan P.; Margulis, Claudio J.

    2016-05-01

    When solutes are small compared to the size of the ions in an ionic liquid, energetic heterogeneities associated with charge enhanced (stiff) and charge depleted (soft) nanoenvironments are sampled. In a recent article [J. C. Araque et al., J. Phys. Chem. B 119(23), 7015-7029 (2015)], we explored large deviations from Stokes-Einstein translational diffusion caused by such a heterogeneity. The current article is set to explore the effect of soft and stiff solvent environments (i.e., structure) on OH-bond rotations in the case of water and small alcohols in 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([" separators="Im1,2 + ][" separators="NTf2- ]). Is solute rotational dynamics heterogeneous? If so, are solute rotations and translations coupled in the sense that stiff and soft solvent environments hinder or speed up both types of dynamics? For the systems studied here, there appears to be a clear connection between translations, rotations, and stiff/soft solvent environments. We also discuss interesting asymmetries of the correlation between solutes with anions and cations.

  3. Cyclic multiverses

    NASA Astrophysics Data System (ADS)

    Marosek, Konrad; Da¸browski, Mariusz P.; Balcerzak, Adam

    2016-09-01

    Using the idea of regularization of singularities due to the variability of the fundamental constants in cosmology we study the cyclic universe models. We find two models of oscillating and non-singular mass density and pressure (`non-singular' bounce) regularized by varying gravitational constant G despite the scale factor evolution is oscillating and having sharp turning points (`singular' bounce). Both violating (big-bang) and non-violating (phantom) null energy condition models appear. Then, we extend this idea on to the multiverse containing cyclic individual universes with either growing or decreasing entropy though leaving the net entropy constant. In order to get an insight into the key idea, we consider the doubleverse with the same geometrical evolution of the two `parallel' universes with their physical evolution [physical coupling constants c(t) and G(t)] being different. An interesting point is that there is a possibility to exchange the universes at the point of maximum expansion - the fact which was already noticed in quantum cosmology. Similar scenario is also possible within the framework of Brans-Dicke theory where varying G(t) is replaced by the dynamical Brans-Dicke field φ(t) though these theories are slightly different.

  4. A short review on structure and role of cyclic-3’,5’-adenosine monophosphate-specific phosphodiesterase 4 as a treatment tool

    PubMed Central

    Eskandari, Nahid; Mirmosayyeb, Omid; Bordbari, Gazaleh; Bastan, Reza; Yousefi, Zahra; Andalib, Alireza

    2015-01-01

    Cyclic nucleotide phosphodiesterases (PDEs) are known as a super-family of enzymes which catalyze the metabolism of the intracellular cyclic nucleotides, cyclic-3’,5’-adenosine monophosphate (cAMP), and cyclic-3’,5’-guanosine monophosphate that are expressed in a variety of cell types that can exert various functions based on their cells distribution. The PDE4 family has been the focus of vast research efforts over recent years because this family is considered as a prime target for therapeutic intervention in a number of inflammatory diseases such as asthma, chronic obstructive pulmonary disease, and rheumatoid arthritis, and it should be used and researched by pharmacists. This is because the major isoform of PDE that regulates inflammatory cell activity is the cAMP-specific PDE, PDE4. This review discusses the relationship between PDE4 and its inhibitor drugs based on structures, cells distribution, and pharmacological properties of PDE4 which can be informative for all pharmacy specialists. PMID:26645022

  5. Structural transformation during Li/Na insertion and theoretical cyclic voltammetry of the δ-NH4V4O10 electrode: a first-principles study.

    PubMed

    Sarkar, Tanmay; Kumar, Parveen; Bharadwaj, Mridula Dixit; Waghmare, Umesh

    2016-04-14

    A double layer δ-NH4V4O10, due to its high energy storage capacity and excellent rate capability, is a very promising cathode material for Li-ion and Na-ion batteries for large-scale renewable energy storage in transportation and smart grids. While it possesses better stability, and higher ionic and electronic conductivity than the most widely explored V2O5, the mechanisms of its cyclability are yet to be understood. Here, we present a theoretical cyclic voltammetry as a tool based on first-principles calculations, and uncover structural transformations that occur during Li(+)/Na(+) insertion (x) into (Lix/Nax)NH4V4O10. Structural distortions associated with single-phase and multi-phase structural changes during the insertion of Li(+)/Na(+), identified through the analysis of voltage profile and theoretical cyclic voltammetry are in agreement with the reported experimental electrochemical measurements on δ-NH4V4O10. We obtain an insight into its electronic structure with a lower band gap that is responsible for the high rate capability of (Lix/Nax) δ-NH4V4O10. The scheme of theoretical cyclic voltammetry presented here will be useful for addressing issues of cyclability and energy rate in other electrode materials. PMID:26996324

  6. On the molecular/solid-state boundary. A cyclic iron-sulfur cluster of nuclearity eighteen: Synthesis, structure, and properties

    SciTech Connect

    You, Jing-Feng; Snyder, B.S.; Holm, R.H. ); Papaefthymiou, G.C. )

    1990-01-31

    The reaction system FeCl{sub 3}:3.15Na(PhNC(O)Me): 1.78Li{sub 2}S in ethanol/methanol (2:1 (V/v)) affords, after the addition of Pr{sub 4}NBr and a 5-day period of reaction and crystallization, the black compound (Pr{sub 4}N){sub 6}Na{sub 4}Fe{sub 18}S{sub 30} in 60-75% yield. When this material is very slowly crystallized from acetontrile/ether, the solvated compound (Pr{sub 4}N){sub 6}Na{sub 4}Fe{sub 18}S{sub 30} {times} 14MeCN is obtained. This compound crystallizes in triclinic space group P{anti 1} with a = 16.286 (8) {angstrom}, b = 16.718 (8) {angstrom}, c = 17.902 (9) {angstrom}, {alpha} = 115.28 (3){degree}, {beta} = 91.07 (4){degree}, {gamma} = 101.64 (4){degree}, and Z = 1. The structure was refined to R = 6.5%. The crystal structure consists of discrete Pr{sub 4}N{sup +} ions and two Na{sup +} ions weakly associated with the cluster (Na{sub 2}Fe{sub 18}S{sub 30}){sup 8{minus}}, which has a remarkable and unprecedented structure. It is constructed by the fusion of 24 nonplanar Fe{sub 2}s{sub 2} rhombs in edge- and corner-sharing modes such that there are 20 {mu}{sub 2}-S, 8 {mu}{sub 3}-S, and 2 {mu}{sub 4}-S, every FeS{sub 4} unit is tetrahedral, and the 18 Fe atoms are essentially planar. The result is a cyclic or toroidal structure, of lateral dimensions 13.3 {times} 16.0 {angstrom} and a maximum thickness of ca. 3.3 {angstrom}, in which there are no terminal ligands. Two Na{sup +} ions are bound to interior sulfur atoms of the cluster, whose framework can be considered to arise from the sequential connection of known Fe{sub 3}S{sub 4} and Fe{sub 6}S{sub 9} cluster cores. Alternative conceptions of cluster buildup in terms of shared Fe{sub 2}S{sub 2} rhombs and FeS{sub 4} tetrahedra are presented and illustrated.

  7. Heme Distortions in Sperm-Whale Carbonmonoxy Myoglobin: Correlations between Rotational Strengths and Heme Distortions in MD-Generated Structures

    SciTech Connect

    KIEFL,CHRISTOPH; SCREERAMA,NARASIMHA; LU,YI; QIU,YAN; SHELNUTT,JOHN A.; WOODY,ROBERT W.

    2000-07-13

    The authors have investigated the effects of heme rotational isomerism in sperm-whale carbonmonoxy myoglobin using computational techniques. Several molecular dynamics simulations have been performed for the two rotational isomers A and B, which are related by a 180{degree} rotation around the {alpha}-{gamma} axis of the heme, of sperm-whale carbonmonoxy myoglobin in water. Both neutron diffraction and NMR structures were used as starting structures. In the absence of an experimental structure, the structure of isomer B was generated by rotating the heme in the structure of isomer A. Distortions of the heme from planarity were characterized by normal coordinate structural decomposition and by the angle of twist of the pyrrole rings from the heme plane. The heme distortions of the neutron diffraction structure were conserved in the MD trajectories, but in the NMR-based trajectories, where the heme distortions are less well defined, they differ from the original heme deformations. The protein matrix induced similar distortions on the heroes in orientations A and B. The results suggest that the binding site prefers a particular macrocycle conformation, and a 180{degree} rotation of the heme does not significantly alter the protein's preference for this conformation. The intrinsic rotational strengths of the two Soret transitions, separated according to their polarization in the heme plane, show strong correlations with the ruf-deformation and the average twist angle of the pyrrole rings. The total rotational strength, which includes contributions from the chromophores in the protein, shows a weaker correlation with heme distortions.

  8. Synthesis of a Bent 2-Silaallene with a Perturbed Electronic Structure from a Cyclic Alkyl(amino) Carbene-Diiodosilylene.

    PubMed

    Li, Yan; Chan, Yuk-Chi; Li, Yongxin; Purushothaman, Indu; De, Susmita; Parameswaran, Pattiyil; So, Cheuk-Wai

    2016-09-01

    The cyclic alkyl(amino) carbene (cAAC) 1 reacted with SiI4 in toluene, affording the cAAC-silicon tetraiodide complex [(cAACMe)SiI4] (2, cAACMe = :C(CH2)(CMe2)2NAr, Ar = 2,6-iPr2C6H3). It further reacted with two equivalents of KC8 in toluene at room temperature to afford the first cAAC-diiodosilylene [(cAACMe)SiI2] (3). DFT calculations show that the Ccarbene-Si bond in 3 is formed by the donation of the lone pair of electrons on the Ccarbene atom to the SiI2 moiety, while the π-back-bonding of the lone pair of electrons on the Si atom to the Ccarbene atom is negligible. The presence of the lone pair of electrons on the silicon atom in 3 is also evidenced by its reaction with N3SiMe3 to form the cAAC-silaimine complex [(cAACMe)Si(NSiMe3)I2] (4). Compound 3 reacted with IiPrMe (:C{N(iPr)CMe}2) in n-hexane to form the NHC-cAAC-silyliumylidene iodide [cAACMe(SiI)IiPrMe]I (5), which was then reacted with two equivalents of KC8 in toluene to furnish [cAACMeSi(IiPrMe)] (6). The experimental and theoretical studies suggest that 6 can be described as a bent silaallene with a perturbed electronic structure, which can be attributed to the different donor-acceptor properties of cAACMe and IiPrMe. Compounds 3-6 were elucidated by NMR spectroscopy, X-ray crystallography, and theoretical studies. PMID:27560615

  9. Isolation, structural characterization, and properties of mattacin (polymyxin M), a cyclic peptide antibiotic produced by Paenibacillus kobensis M.

    PubMed

    Martin, Nathaniel I; Hu, Haijing; Moake, Matthew M; Churey, John J; Whittal, Randy; Worobo, Randy W; Vederas, John C

    2003-04-11

    Mattacin is a nonribosomally synthesized, decapeptide antibiotic produced by Paenibacillus kobensis M. The producing strain was isolated from a soil/manure sample and identified using 16 S rRNA sequence homology along with chemical and morphological characterization. An efficient production and isolation procedure was developed to afford pure mattacin. Structure elucidation using a combination of chemical degradation, multidimensional NMR studies (COSY, HMBC, HMQC, ROESY), and mass spectrometric (MALDI MS/MS) analyses showed that mattacin is identical to polymyxin M, an uncommon antibiotic reported previously in certain Bacillus species by Russian investigators. Mattacin (polymyxin M) is cyclic and possesses an amide linkage between the C-terminal threonine and the side chain amino group of the diaminobutyric acid residue at position 4. It contains an (S)-6-methyloctanoic acid moiety attached as an amide at the N-terminal amino group, one D-leucine, six L-alpha,gamma-diaminobutyric acid, and three L-threonine residues. Transfer NOE experiments on the conformational preferences of mattacin when bound to lipid A and microcalorimetry studies on binding to lipopolysaccharide showed that its behavior was very similar to that observed in previous studies of polymyxin B (a commercial antibiotic), suggesting an identical mechanism of action. It was capable of inhibiting the growth of a wide variety of Gram-positive and Gram-negative bacteria, including several human and plant pathogens with activity comparable with purified polymyxin B. The biosynthesis of mattacin was also examined briefly using transpositional mutagenesis by which 10 production mutants were obtained, revealing a set of genes involved in production. PMID:12569104

  10. Techniques for Rotating Two or More Loading Matrices to Optimal Agreement and Simple Structure: A Comparison and Some Technical Details.

    ERIC Educational Resources Information Center

    Kiers, Henk A. L.

    1997-01-01

    Five techniques that combine the ideals of rotation of matrices of factor loadings to optimal agreement and rotation to simple structure are compared on the basis of empirical and contrived data. Combining a generalized Procrustes analysis with Varimax on the main of the matched loading matrices performed well on all criteria. (SLD)

  11. Molecular and Electronic Structure of Cyclic Trinuclear Gold(I) Carbeniate Complexes: Insights for Structure/Luminescence/Conductivity Relationships

    SciTech Connect

    McDougaldJr, Roy N; Chilukuri, Bhaskar; Jia, Huiping; Perez, Michael R; Rabaa, Hassan; Wang, Xiaoping; Nesterov, Vladimir; Cundari, Thomas R.; Gnade, Bruce E; Omary, Mohammad A

    2014-01-01

    An experimental and computational study of correlations between solid-state structure and optical/electronic properties of cyclotrimeric gold(I) carbeniates, [Au-3(RN=COR')(3)] (R, R' = H, Me, Bu-n, or (c)Pe), is reported. Synthesis and structural and photophysical characterization of novel complexes [Au-3(MeN=(COBu)-Bu-n)(3)], [Au-3((BuN)-Bu-n=COMe)(3)], [Au-3((BuN)-Bu-n=(COBu)-Bu-n)(3)], and [Au-3((c)PeN=COMe)(3)] are presented. Changes in R and R' lead to distinctive variations in solid-state stacking, luminescence spectra, and conductive properties. Solid-state emission and excitation spectra for each complex display a remarkable dependence on the solid-state packing of the cyclotrimers. The electronic structure of [Au-3(RN=COR')(3)] was investigated via molecular and solid-state simulations. Calculations on [Au-3(HN=COH)(3)] models indicate that the infinitely extended chain of eclipsed structures with equidistant Au-Au intertrimer aurophilic bonding can have lower band gaps, smaller Stokes shifts, and reduced reorganization energies (lambda). The action of one cyclotrimer as a molecular nanowire is demonstrated via fabrication of an organic field effect transistor and shown to produce a p-type field effect. Hole transport for the same cyclotrimer-doped within a poly(9-vinylcarbazole) host-produced a colossal increase in current density from similar to 1 to similar to 1000 mA/cm(2). Computations and experiments thus delineate the complex relationships between solid-state morphologies, electronic structures, and optoelectronic properties of gold(I) carbeniates.

  12. Molecular and electronic structure of cyclic trinuclear gold(I) carbeniate complexes: insights for structure/luminescence/conductivity relationships.

    PubMed

    McDougald, Roy N; Chilukuri, Bhaskar; Jia, Huiping; Perez, Michael R; Rabaâ, Hassan; Wang, Xiaoping; Nesterov, Vladimir N; Cundari, Thomas R; Gnade, Bruce E; Omary, Mohammad A

    2014-07-21

    An experimental and computational study of correlations between solid-state structure and optical/electronic properties of cyclotrimeric gold(I) carbeniates, [Au3(RN═COR')3] (R, R' = H, Me, (n)Bu, or (c)Pe), is reported. Synthesis and structural and photophysical characterization of novel complexes [Au3(MeN═CO(n)Bu)3], [Au3((n)BuN═COMe)3], [Au3((n)BuN═CO(n)Bu)3], and [Au3((c)PeN═COMe)3] are presented. Changes in R and R' lead to distinctive variations in solid-state stacking, luminescence spectra, and conductive properties. Solid-state emission and excitation spectra for each complex display a remarkable dependence on the solid-state packing of the cyclotrimers. The electronic structure of [Au3(RN═COR')3] was investigated via molecular and solid-state simulations. Calculations on [Au3(HN═COH)3] models indicate that the infinitely extended chain of eclipsed structures with equidistant Au--Au intertrimer aurophilic bonding can have lower band gaps, smaller Stokes shifts, and reduced reorganization energies (λ). The action of one cyclotrimer as a molecular nanowire is demonstrated via fabrication of an organic field effect transistor and shown to produce a p-type field effect. Hole transport for the same cyclotrimer-doped within a poly(9-vinylcarbazole) host-produced a colossal increase in current density from ∼1 to ∼1000 mA/cm(2). Computations and experiments thus delineate the complex relationships between solid-state morphologies, electronic structures, and optoelectronic properties of gold(I) carbeniates. PMID:24961904

  13. Structure-based turbulence model: Application to a rotating pipe flow

    NASA Astrophysics Data System (ADS)

    Poroseva, S. V.; Kassinos, S. C.; Langer, C. A.; Reynolds, W. C.

    2002-04-01

    A new approach for modeling the one-point turbulence statistics, which takes into account the information on turbulence structure, has been suggested in Kassinos and Reynolds (Report TF-61, Thermosciences Division, Department of Mechanical Engineering, Stanford University, 1994). In the present work, the structure-based model [Int. J. Heat Fluid Flow 21, 599 (2000)] (SBM) based on those ideas, was evaluated in a complex inhomogeneous turbulent flow in a cylindrical pipe rotating around its longitudinal axis. It was found that the SBM is able to predict the flow accurately at various Reynolds numbers and under stronger rotation than what is possible with the Reynolds stress transport models (RSTMs). In a fully developed rotating pipe flow, the SBM, being a linear model, slightly improves the profiles obtained with the nonlinear RSTM [J. Fluid Mech. 227, 245 (1991)]. However, if the standard equation for the dissipation rate is used, the SBM, as do the RSTMs, significantly overpredicts the turbulent kinetic energy level in this part of flow in comparison with the results of experiments.

  14. Internal Structure of Asteroids Having Surface Shedding Due to Rotational Instability

    NASA Astrophysics Data System (ADS)

    Hirabayashi, Masatoshi; Sánchez, Diego Paul; Scheeres, Daniel J.

    2015-07-01

    Surface shedding of an asteroid is a failure mode where surface materials fly off due to strong centrifugal forces beyond the critical spin period, while the internal structure does not deform significantly. This paper proposes a possible structure of an asteroid interior that leads to surface shedding due to rapid rotation rates. A rubble pile asteroid is modeled as a spheroid composed of a surface shell and a concentric internal core, the entire assembly called the test body. The test body is assumed to be uniformly rotating around a constant rotation axis. We also assume that while the bulk density and the friction angle are constant, the cohesion of the surface shell is different from that of the internal core. First, developing an analytical model based on limit analysis, we provide the upper and lower bounds for the actual surface shedding condition. Second, we use a Soft-sphere Discrete Element Method (SSDEM) to study dynamical deformation of the test body due to a quasi-static spin-up. In this paper we show the consistency of both approaches. Additionally, the SSDEM simulations show that the initial failure always occurs locally and not globally. In addition, as the core becomes larger, the size of lofted components becomes smaller. These results imply that if there is a strong core in a progenitor body, surface shedding is the most likely failure mode.

  15. Structural parameters modulating the cellular uptake of disulfide-rich cyclic cell-penetrating peptides: MCoTI-II and SFTI-1.

    PubMed

    D'Souza, Charlotte; Henriques, Sónia Troeira; Wang, Conan K; Craik, David J

    2014-12-17

    Peptides are emerging as a new class of therapeutics due to their high potency and specificity for a range of targets, including the inhibition of protein-protein interactions. Disulfide-rich cyclic peptides, in particular, have attracted much attention in drug design due to their ultra-stable structure. Moreover, some of them have been shown to internalize into cells, which makes them potential scaffolds to deliver pharmaceutically bioactive sequences to intracellular targets. Here we examined the effects of structural modifications on the cell-penetrating properties of two disulfide-rich cyclic cell-penetrating peptides, Momordica cochinchinensis trypsin inhibitor II (MCoTI-II) and sunflower trypsin inhibitor-1 (SFTI-1). We found that the cellular uptake of MCoTI-II can be improved by increasing the overall positive charge of the native sequence. On the other hand, mutations to SFTI-1 did not significantly influence its cellular uptake, suggesting a non-specific endocytosis-dependent mechanism of cellular uptake. This study provides an understanding of the structural features affecting the internalization of MCoTI-II and SFTI-1, and hence provides a guide for the development of these disulfide-rich cyclic scaffolds into potential drug leads. PMID:24985034

  16. On linear structure and phase rotation invariant properties of block M-PSK modulation codes

    NASA Technical Reports Server (NTRS)

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

    1991-01-01

    Two important structural properties of block M(=2')-ary PSK modulation codes, linear structure and phase symmetry, are investigated. An M-ary modulation code is first represented as a code with symbols from the integer group S(MPSK) = (0,1,2,...M-1) under modulo-M addition. Then the linear structure of block MPSK modulation codes over S(M-PSK) with respect to modulo-M vector addition is defined, and conditions are derived under which a block MPSK modulation code is linear. Once the linear structure is developed, the phase symmetry of block M-PSK modulation codes is studied. In particular, a necessary and sufficient condition for a block MPSK modulation code that is linear as a binary code to be invariant under 2 h 180 deg/M phase rotation (for h = 1 to l) is derived. Finally, a list of short 8PSK and 16PSK modulation codes is given, together with their linear structure and the smallest phase rotation for which a code is invariant.

  17. Effect of ion-beam treatment on structure and fracture resistance of 12Cr1MoV steel under static, cyclic and dynamic loading

    SciTech Connect

    Panin, S. V. Vlasov, I. V. Sergeev, V. P.; Maruschak, P. O.

    2015-10-27

    Features of the structure and properties modification of 12Cr1MoV steel subjected to irradiation by zirconium ion beam have been investigated with the use of optical and electron microscopy as well as microhardness measurement. It has been shown that upon treatment the structure modification occurred across the entire cross-section of specimens with the thickness of 1 mm. Changes in the mechanical properties of these specimens under static, cyclic and impact loading are interpreted in terms of identified structure changes.

  18. Near-infrared structure of fast and slow-rotating disk galaxies

    SciTech Connect

    Schechtman-Rook, Andrew; Bershady, Matthew A.

    2014-11-10

    We investigate the stellar disk structure of six nearby edge-on spiral galaxies using high-resolution JHK {sub s}-band images and three-dimensional radiative transfer models. To explore how mass and environment shape spiral disks, we selected galaxies with rotational velocities between 69 km s{sup –1} structure. Of the fast-rotating (V {sub rot} > 150 km s{sup –1}) galaxies, only NGC 4013 has the super-thin+thin+thick nested disk structure seen in NGC 891 and the Milky Way, albeit with decreased oblateness, while NGC 1055, a disturbed massive spiral galaxy, contains disks with h{sub z} ≲ 200 pc. NGC 4565, another fast-rotator, contains a prominent ring at a radius ∼5 kpc but no super-thin disk. Despite these differences, all fast-rotating galaxies in our sample have inner truncations in at least one of their disks. These truncations lead to Freeman Type II profiles when projected face-on. Slow-rotating galaxies are less complex, lacking inner disk truncations and requiring fewer disk components to reproduce their light distributions. Super-thin disk components in undisturbed disks contribute ∼25% of the total K {sub s}-band light, up to that of the thin-disk contribution. The presence of super-thin disks correlates with infrared flux ratios; galaxies with super-thin disks have f{sub K{sub s}}/f{sub 60} {sub μm}≤0.12 for integrated light, consistent with super-thin disks being regions of ongoing star-formation. Attenuation-corrected vertical color gradients in (J – K {sub s}) correlate with the observed disk structure and are consistent with population gradients with young-to-intermediate ages closer to the mid-plane, indicating that disk heating—or cooling—is a ubiquitous phenomenon.

  19. Differentially Rotating Structures and Angular Momentum Transport in the Prevalent Gravity of a Central Object*

    NASA Astrophysics Data System (ADS)

    Rousseau, F.; Coppi, B.

    2006-10-01

    The presence of angular momentum transport associated with an accretion process in an axisymmetric differentially rotating structure affects the equilibrium configuration that this can take and can introduce a toroidal Lorentz force with the associated poloidal current densities. All three components (vertical, radial and toroidal) of the total momentum conservation equation are considered. A sequence of ring solutions can be found by making use of the inequalities vNJrotation velocity, cs is the sound velocity and vNJ is a velocity related to the difference between the outward transport velocity of angular momentum transport and the inward accretion velocity. The outward angular momentum transport is considered as resulting from processes involving smaller scale lengths than those characterizing the described equilibrium configurations. *Sponsored in part by the U.S. DOE. B. Coppi and F. Rousseau Ap. J. 641 (1), 458 (2006)

  20. A key factor to the spin parameter of uniformly rotating compact stars: crust structure

    NASA Astrophysics Data System (ADS)

    Qi, Bin; Zhang, Nai-Bo; Sun, Bao-Yuan; Wang, Shou-Yu; Gao, Jian-Hua

    2016-04-01

    We study the dimensionless spin parameter j ≡ cJ/(GM2) of different kinds of uniformly rotating compact stars, including traditional neutron stars, hyperonic neutron stars and hybrid stars, based on relativistic mean field theory and the MIT bag model. It is found that jmax ∼ 0.7, which had been suggested in traditional neutron stars, is sustained for hyperonic neutron stars and hybrid stars with M > 0.5 M⊙. Not the interior but rather the crust structure of the stars is a key factor to determine jmax for three kinds of selected compact stars. Furthermore, a universal formula j = 0.63(f/fK) ‑ 0.42(f/fK)2 + 0.48(f/fK)3 is suggested to determine the spin parameter at any rotational frequency f smaller than the Keplerian frequency fK.

  1. Forced vibration analysis of rotating structures with application to vertical axis wind turbines

    NASA Astrophysics Data System (ADS)

    Lobitz, D. W.

    Predictive methods for the dynamic analysis of wind turbine systems are important for assessing overall structural integrity and fatigue life. For the former, the identification of resonance points (spectral analysis) is of primary concern. For the latter forced vibration analysis is necessary. These analyses are complicated by the fact that, for a spinning turbine, the stress-producing deformations take place in both fixed and rotating reference systems simultaneously. As an example, the tower of a horizontal axis wind turbine (HAWT) must be analyzed in a fixed frame, and the rotor in a rotating one. Forced vibration analysis is further complicated in that accurate models need to be developed for aeroload prediction. Methods which are available for forced vibration analysis of both horizontal and vertical axis machines are identified and the method which was developed for vertical axis wind turbines is emphasized, with some comparisons of the predictions to experimental data.

  2. Rotational spectra of rare isotopic species of fluoroiodomethane: Determination of the equilibrium structure from rotational spectroscopy and quantum-chemical calculations

    NASA Astrophysics Data System (ADS)

    Puzzarini, Cristina; Cazzoli, Gabriele; López, Juan Carlos; Alonso, José Luis; Baldacci, Agostino; Baldan, Alessandro; Stopkowicz, Stella; Cheng, Lan; Gauss, Jürgen

    2012-07-01

    Supported by accurate quantum-chemical calculations, the rotational spectra of the mono- and bi-deuterated species of fluoroiodomethane, CHDFI and CD2FI, as well as of the 13C-containing species, 13CH2FI, were recorded for the first time. Three different spectrometers were employed, a Fourier-transform microwave spectrometer, a millimeter/submillimter-wave spectrometer, and a THz spectrometer, thus allowing to record a huge portion of the rotational spectrum, from 5 GHz up to 1.05 THz, and to accurately determine the ground-state rotational and centrifugal-distortion constants. Sub-Doppler measurements allowed to resolve the hyperfine structure of the rotational spectrum and to determine the complete iodine quadrupole-coupling tensor as well as the diagonal elements of the iodine spin-rotation tensor. The present investigation of rare isotopic species of CH2FI together with the results previously obtained for the main isotopologue [C. Puzzarini, G. Cazzoli, J. C. López, J. L. Alonso, A. Baldacci, A. Baldan, S. Stopkowicz, L. Cheng, and J. Gauss, J. Chem. Phys. 134, 174312 (2011);, 10.1063/1.3583498 G. Cazzoli, A. Baldacci, A. Baldan, and C. Puzzarini, Mol. Phys. 109, 2245 (2011)], 10.1080/00268976.2011.609142 enabled us to derive a semi-experimental equilibrium structure for fluoroiodomethane by means of a least-squares fit procedure using the available experimental ground-state rotational constants together with computed vibrational corrections. Problems related to the missing isotopic substitution of fluorine and iodine were overcome thanks to the availability of an accurate theoretical equilibrium geometry (computed at the coupled-cluster singles and doubles level augmented by a perturbative treatment of triple excitations).

  3. Equilibrium structure in the presence of internal rotation: A case study of cis-methyl formate

    NASA Astrophysics Data System (ADS)

    Demaison, J.; Margulès, L.; Kleiner, I.; Császár, A. G.

    2010-02-01

    The Born-Oppenheimer (BO) equilibrium molecular structure ( reBO) of cis-methyl formate has been determined at the CCSD(T) level of electronic structure theory using Gaussian basis sets of at least quadruple-ζ quality and a core correlation correction. The quadratic, cubic and semi-diagonal quartic force field in normal coordinates has also been computed at the MP2 level employing a basis set of triple-ζ quality. A semi-experimental equilibrium structure ( reSE) has been derived from experimental ground-state rotational constants and the lowest-order rovibrational interaction parameters calculated from the ab initio cubic force field. To determine reSE structures, it is important to start from accurate ground-state rotational constants. Different spectroscopic methods, applicable in the presence of internal rotation and used in the literature to obtain "unperturbed" rotational constants from the analysis and fitting of the spectrum, are reviewed and compared. They are shown to be compatible though their precision may be different. The reBO and reSE structures are in good agreement showing that, in the particular case of cis-methyl formate, the methyl torsion can still be treated as a small-amplitude vibration. The best equilibrium structure obtained for cis-methyl formate is: r(C m-O) = 1.434 Å, r(O-C c) = 1.335 Å, r(C m-H s) = 1.083 Å, r(C m-H a) = 1.087 Å, r(C c-H) = 1.093 Å, r(C dbnd O) = 1.201 Å, ∠(COC) = 114.4°, ∠(CCH s) = 105.6°, ∠(CCH a) = 110.2°, ∠(OCH) = 109.6°, ∠(OCO) = 125.5°, and τ(H aCOC) = 60.3°. The accuracy is believed to be about 0.001 Å for the bond lengths and 0.1° for the angles.

  4. Horizon structure and shadow of rotating Einstein-Born-Infeld black holes

    NASA Astrophysics Data System (ADS)

    Atamurotov, Farruh

    2016-07-01

    We investigate the horizon structure of the rotating Einstein-Born-Infeld solution which goes over to the Einstein-Maxwell's Kerr-Newman solution as the Born-Infeld parameter goes to innity ( ! 1). We nd that for a given , mass M and charge Q, there exist critical spinning parameter aE and rEH, which corresponds to an extremal Einstein-Born-Infeld black hole with degenerate horizons, and aE decreases and rEH increases with increase in the Born-Infeld parameter . While a < aE describe a non-extremal Einstein-Born- Infeld black hole with outer and inner horizons. Similarly, the effect of on innite redshift surface and in turn on ergoregion is also included. It is well known that a black hole can cast a shadow as an optical appearance due to its strong gravitational eld. We also investigate the shadow cast by the rotating Einstein- Born-Infeld black hole and demonstrate that the null geodesic equations can be integrated that allows us to investigate the shadow cast by a black hole which is found to be a dark zone covered by a circle. Interestingly, the shadows of Einstein-Born-Infeld black hole is slightly smaller than for the Reissner-Nordstrom black hole which are concentric circles, for different values of the Born-Infeld parameter , whose radius decreases with increase in the value of parameter . The shadows for the rotating Einstein-Born-Infeld solution are also included.

  5. Rotation-stimulated structures in the CN and C3 comae of comet 103P/Hartley 2 close to the EPOXI encounter

    NASA Astrophysics Data System (ADS)

    Waniak, W.; Borisov, G.; Drahus, M.; Bonev, T.

    2012-07-01

    Context. In late 2010, a Jupiter family comet 103P/Hartley 2 was the subject of an intensive world-wide investigation. On UT October 20.7, the comet approached the Earth within only 0.12 AU, and on UT November 4.6 it was visited by the NASA EPOXI spacecraft. Aims: We joined this international effort and organized a ground-based observing campaign with three key goals to: (1) measure the parameters of the nucleus rotation in a time series of CN; (2) investigate the compositional structure of the coma by comparing the CN images with nightly snapshots of C3; and (3) investigate the photochemical relation of CN to HCN, using the HCN data collected nearly simultaneously with our images. Methods: The images were obtained through narrowband filters using the two-meter telescope of the Rozhen National Astronomical Observatory. They were taken over four nights about the moment of the EPOXI encounter. Image processing methods and periodicity analysis techniques were used to identify transient coma structures and investigate their repeatability and kinematics. Results: We observe shells, arc-, jet- and spiral-like patterns that are very similar for the CN and C3 comae. The CN features expanded outwards with the sky-plane projected velocities of between 0.1 to 0.3 km s-1. A corkscrew structure, observed on November 6, evolved with a much higher velocity of 0.66 km s-1. The photometry of the inner coma of CN shows variability with a period of 18.32 ± 0.30 h (valid for the middle moment of our run, UT 2010 Nov 5.0835), which we attribute to the nucleus rotation. This result is fully consistent with independent determinations around the same time by other teams. The pattern of repeatability is, however, imperfect, which is understendable given the suggested excitation of the rotation state, and the variability detected in CN correlates well with the cyclic changes in HCN, but only in the active phases. The identified coma structures, along with the snapshot of the nucleus

  6. Microwave spectrum, internal rotation, structure and dipole moment of trifluoromethyl mercaptan, CF 3SH

    NASA Astrophysics Data System (ADS)

    Cox, A. P.; Rego, C. A.; Stevens, R.

    1990-06-01

    The microwave spectra of CF 3SH and CF 3SD have been studied in the frequency range 12-40 GHz in the ground vibrational state. the spectra are heavily complicated by internal-rotation splittings which have been analysed using an IAM treatment of Valenzuela and Woods. The torsional parameters determined for CF 3SH are s=22.7454(3), F=293,364(15) MHz, ϱ=0.980674(3) and β=0.025472(14); and for CF 3SD, s=41.724(2), F=156,314(65) MHz, ϱ=0.96343(2) and β=0.00651(17). The ground-state torsional splitting for CF 3SH, Δ 0=-3021.1(2) MHz, has been combined with early infrared data for tosionally excited states to obtain V3=448(4) cm -1. Stark effects in the microwave spectrum are significantly affected by internal rotation enabling the orientation of the dipole moment to be determined. The total dipole moment is found to be 1.52(2) D making an angle of 36.0° with respect to the CS bond direction. The zero-point average structure of CF 3SH has been estimated from isotopic data for CF 3SD and CF 343SH plus internal-rotation information. The parameters for an assumed staggered conformation are: r(CF)=1.337(5), r(CS)=1.801(10), r(SH)=1.347(4) Å, ∠ CHS=92.0(1)°, ∠ SCF 1=108.4(8)° and ∠ SCF 2,3=112.9(4)°. The CF 3 top is determined to be asymmetric and titled 3.0° away from the SH bond, in keeping with Cs overall symmetry of the molecule but in contrast to the C3v behaviour of the top indicated by the internal rotation.

  7. Plexus structure imaging with thin slab MR neurography: rotating frames, fly-throughs, and composite projections

    NASA Astrophysics Data System (ADS)

    Raphael, David T.; McIntee, Diane; Tsuruda, Jay S.; Colletti, Patrick; Tatevossian, Raymond; Frazier, James

    2006-03-01

    We explored multiple image processing approaches by which to display the segmented adult brachial plexus in a three-dimensional manner. Magnetic resonance neurography (MRN) 1.5-Tesla scans with STIR sequences, which preferentially highlight nerves, were performed in adult volunteers to generate high-resolution raw images. Using multiple software programs, the raw MRN images were then manipulated so as to achieve segmentation of plexus neurovascular structures, which were incorporated into three different visualization schemes: rotating upper thoracic girdle skeletal frames, dynamic fly-throughs parallel to the clavicle, and thin slab volume-rendered composite projections.

  8. Rotating Pip Detection and Stall Warning in High-Speed Compressors Using Structure Function

    NASA Technical Reports Server (NTRS)

    Bright, Michelle M.; Qammar, Helen; Vhora, Hanif; Schaffer, Michael

    1999-01-01

    A statistic for both rotating pip and incipient stall detection, called Structure Function is introduced for use in high speed research compressor environments. Experimental studies on stall inception processes have long observed two types of pre-stall compressor activity. Presently there exist methods for indicating modal stall precursive events in the compressor. This is a first application of a new method to detect rotating pip activity prior to stall in research compressors. The algorithm requires a very short sample of data to distinguish pip activity prior to stall, and thus may be used in a real time application. Additionally, this Structure Function algorithm is also used as a single sensor stall warning method under a variety of operating conditions, including clean inlet conditions, radially and circumferentially distorted inlet conditions, and in examples of steady air injection along the casing, and controlled air injection conditions. Structure Function provides a potential advantage over linear spectral techniques and wavelet algorithms for stall detection due to the simplicity of the algorithm and because it does not rely on a priori knowledge of frequency content.

  9. Intelligent method for diagnosing structural faults of rotating machinery using ant colony optimization.

    PubMed

    Li, Ke; Chen, Peng

    2011-01-01

    Structural faults, such as unbalance, misalignment and looseness, etc., often occur in the shafts of rotating machinery. These faults may cause serious machine accidents and lead to great production losses. This paper proposes an intelligent method for diagnosing structural faults of rotating machinery using ant colony optimization (ACO) and relative ratio symptom parameters (RRSPs) in order to detect faults and distinguish fault types at an early stage. New symptom parameters called "relative ratio symptom parameters" are defined for reflecting the features of vibration signals measured in each state. Synthetic detection index (SDI) using statistical theory has also been defined to evaluate the applicability of the RRSPs. The SDI can be used to indicate the fitness of a RRSP for ACO. Lastly, this paper also compares the proposed method with the conventional neural networks (NN) method. Practical examples of fault diagnosis for a centrifugal fan are provided to verify the effectiveness of the proposed method. The verification results show that the structural faults often occurring in the centrifugal fan, such as unbalance, misalignment and looseness states are effectively identified by the proposed method, while these faults are difficult to detect using conventional neural networks. PMID:22163833

  10. Helioseismic Observations of the Structure and Dynamics of a Rotating Sunspot Beneath the Solar Surface

    NASA Technical Reports Server (NTRS)

    Zhao, Junwei; Kosovichev, Alexander G.

    2003-01-01

    Time-distance helioseismology is applied to study the subphotospheric structures and dynamics of an unusually fast-rotating sunspot observed by the Michelson Doppler Imager on bead SOH0 in 2000 August. The subsurface sound speed structures and velocity fields are obtained for the sunspot region at different depths from 0 to 12 Mm. By comparing the subsurface sound speed variations with the surface magnetic field, we find evidence for structural twists beneath the visible surface of this active region, which may indicate that magnetic twists often seen at the photosphere also exist beneath the photosphere. We also report on the observation of subsurface horizontal vortical flows that extend to a depth of 5 Mm around this rotating sunspot and present evidence that opposite vortical flows may exist below 9 Mm. It is suggested that the vortical flows around this active region may build up a significant amount of magnetic helicity and energy to power solar eruptions. Monte Carlo simulation has been performed to estimate the error propagation, and in addition the sunspot umbra is masked to test the reliability of our inversion results. On the basis of the three-dimensional velocity fields obtained from the time-distance helioseismology inversions, we estimate the subsurface kinetic helicity at different depths for the first time and conclude that it is comparable to the current helicity estimated from vector magnetograms.

  11. Speckle dynamics for dual-beam optical illumination of a rotating structure

    SciTech Connect

    Jakobsen, Michael L.; Yura, Harold T.; Hanson, Steen G

    2009-04-01

    An out-of-plane rotating object is illuminated with two spatially separated coherent beams, giving rise to fully developed speckles, which will translate and gradually decorrelate in the observation plane, located in the far field. The speckle pattern is a compound structure, consisting of random speckles modulated by a smaller and repetitive structure. Generally, these two components of the compound speckle structure will move as rigid structures with individual velocities determined by the characteristics of the two illuminating beams. Closed-form analytical expressions are found for the space- and time-lagged covariance of irradiance and the corresponding power spectrum for the two spatially separated illuminating beams. The present analysis is valid for propagation through an arbitrary ABCD system, though the focus for the experimental evaluation is far-field observations using an optical Fourier transform system. It is shown that the compound speckle structures move as two individual structures with the same decorrelation length. The velocity of the random speckles is a combination of angular and peripheral velocity, where the peripheral velocity is inversely proportional to the radius of the wavefront curvature of the incident beams. The velocity of the repetitive structure is a combination of angular and peripheral velocity, where the peripheral velocity is proportional to the ratio of the angle to the distance between the beams in the object plane. Experimental data demonstrate good agreement between theory and measurements for selected combinations of beam separation, angle between beams, and radius of wavefront curvature at the object.

  12. Structural basis of metallo-β-lactamase, serine-β-lactamase and penicillin-binding protein inhibition by cyclic boronates

    NASA Astrophysics Data System (ADS)

    Brem, Jürgen; Cain, Ricky; Cahill, Samuel; McDonough, Michael A.; Clifton, Ian J.; Jiménez-Castellanos, Juan-Carlos; Avison, Matthew B.; Spencer, James; Fishwick, Colin W. G.; Schofield, Christopher J.

    2016-08-01

    β-Lactamases enable resistance to almost all β-lactam antibiotics. Pioneering work revealed that acyclic boronic acids can act as `transition state analogue' inhibitors of nucleophilic serine enzymes, including serine-β-lactamases. Here we report biochemical and biophysical analyses revealing that cyclic boronates potently inhibit both nucleophilic serine and zinc-dependent β-lactamases by a mechanism involving mimicking of the common tetrahedral intermediate. Cyclic boronates also potently inhibit the non-essential penicillin-binding protein PBP 5 by the same mechanism of action. The results open the way for development of dual action inhibitors effective against both serine- and metallo-β-lactamases, and which could also have antimicrobial activity through inhibition of PBPs.

  13. Structural basis of metallo-β-lactamase, serine-β-lactamase and penicillin-binding protein inhibition by cyclic boronates

    PubMed Central

    Brem, Jürgen; Cain, Ricky; Cahill, Samuel; McDonough, Michael A.; Clifton, Ian J.; Jiménez-Castellanos, Juan-Carlos; Avison, Matthew B.; Spencer, James; Fishwick, Colin W. G.; Schofield, Christopher J.

    2016-01-01

    β-Lactamases enable resistance to almost all β-lactam antibiotics. Pioneering work revealed that acyclic boronic acids can act as ‘transition state analogue' inhibitors of nucleophilic serine enzymes, including serine-β-lactamases. Here we report biochemical and biophysical analyses revealing that cyclic boronates potently inhibit both nucleophilic serine and zinc-dependent β-lactamases by a mechanism involving mimicking of the common tetrahedral intermediate. Cyclic boronates also potently inhibit the non-essential penicillin-binding protein PBP 5 by the same mechanism of action. The results open the way for development of dual action inhibitors effective against both serine- and metallo-β-lactamases, and which could also have antimicrobial activity through inhibition of PBPs. PMID:27499424

  14. Structural basis of metallo-β-lactamase, serine-β-lactamase and penicillin-binding protein inhibition by cyclic boronates.

    PubMed

    Brem, Jürgen; Cain, Ricky; Cahill, Samuel; McDonough, Michael A; Clifton, Ian J; Jiménez-Castellanos, Juan-Carlos; Avison, Matthew B; Spencer, James; Fishwick, Colin W G; Schofield, Christopher J

    2016-01-01

    β-Lactamases enable resistance to almost all β-lactam antibiotics. Pioneering work revealed that acyclic boronic acids can act as 'transition state analogue' inhibitors of nucleophilic serine enzymes, including serine-β-lactamases. Here we report biochemical and biophysical analyses revealing that cyclic boronates potently inhibit both nucleophilic serine and zinc-dependent β-lactamases by a mechanism involving mimicking of the common tetrahedral intermediate. Cyclic boronates also potently inhibit the non-essential penicillin-binding protein PBP 5 by the same mechanism of action. The results open the way for development of dual action inhibitors effective against both serine- and metallo-β-lactamases, and which could also have antimicrobial activity through inhibition of PBPs. PMID:27499424

  15. Structure Elucidation at the Nanomole-Scale. 1. Trisoxazole Macrolides and Thiazole-containing Cyclic Peptides from the Nudibranch Hexabranchus sanguineus

    PubMed Central

    Dalisay, Doralyn S.; Rogers, Evan W.; Edison, Arthur S.; Molinski, Tadeusz F.

    2009-01-01

    A single specimen of Hexabranchus sanguineus, a nudibranch from the Indo-Pacific that is known to sequester kabiramides B, C and other trisoxazole macrolides, yielded new kabiramide analogs – 9-desmethylkabiramide B and 33-methyltetrahydrohalichondramide – and two new unexpected thiazole-containing cyclic peptides in sub-micromole amounts. The structures of these cyclic peptides were determined by analyses of 1D and 2D NMR spectra recorded with a state-of-the-art 1-mm 1H NMR high-temperature superconducting micro-cryoprobe, together with mass spectra. In addition to two proline residues, each peptide contains a thiazole- or oxazole-modified amino acid residue, together with conventional amino acid residues. All of the amino acid residues were L- as determined by Marfey’s analysis of the acid hydrolysates of the peptides. This is the first report of cyclic thiazole peptides from H. sanguineus. Since thiazole-oxazole modified peptides are typically associated with cyanobacteria and tunicates, the finding may imply a dietary component of the H. sanguineus that was previously overlooked. PMID:19254038

  16. Roles of Shape and Internal Structure in Rotational Disruption of Asteroids

    NASA Astrophysics Data System (ADS)

    Hirabayashi, Masatoshi; Scheeres, Daniel Jay

    2015-08-01

    An active research area over the last decade has been to explore configuration changes of rubble pile asteroids due to rotationally induced disruption, initially driven by the remarkable fact that there is a spin period threshold of 2 hr for asteroids larger than a few hundred meters in size. Several different disruption modes due to rapid rotation can be identified, as surface shedding, fission and failure of the internal structure. Relevant to these discussions are many observations of asteroid shapes that have revealed a diversity of forms such as oblate spheroids with equatorial ridges, strongly elongated shapes and contact binaries, to say nothing of multi-body systems. With consideration that rotationally induced deformation is one of the primary drivers of asteroid evolution, we have been developing two techniques for investigating the structure of asteroids, while accounting for their internal mechanical properties through plastic theory. The first technique developed is an analytical model based on limit analysis, which provides rigorous bounds on the asteroid mechanical properties for their shapes to remain stable. The second technique applies finite element model analysis that accounts for plastic deformation. Combining these models, we have explored the correlation between unique shape features and failure modes. First, we have been able to show that contact binary asteroids preferentially fail at their narrow necks at a relatively slow spin period, due to stress concentration. Second, applying these techniques to the breakup event of active asteroid P/2013 R3, we have been able to develop explicit constraints on the cohesion within rubble pile asteroids. Third, by probing the effect of inhomogeneous material properties, we have been able to develop conditions for whether an oblate body will fail internally or through surface shedding. These different failure modes can be tested by measuring the density distribution within a rubble pile body through

  17. Iterative Coupling of Two Different Enones by Nitromethane Using Bifunctional Thiourea Organocatalysts. Stereocontrolled Assembly of Cyclic and Acyclic Structures.

    PubMed

    Varga, Szilárd; Jakab, Gergely; Csámpai, Antal; Soós, Tibor

    2015-09-18

    An organocatalytic iterative assembly line has been developed in which nitromethane was sequentially coupled with two different enones using a combination of pseudoenantiomeric cinchona-based thiourea catalysts. Application of unsaturated aldehydes and ketones in the second step of the iterative sequence allows the construction of cyclic syn-ketols and acyclic compounds with multiple contiguous stereocenters. The combination of the multifunctional substrates and ambident electrophiles rendered some organocatalytic transformations possible that have not yet been realized in bifunctional noncovalent organocatalysis. PMID:26301563

  18. The Structures of Fluorene-(H2O)(1,2) Determined by Rotational Coherence Spectroscopy

    SciTech Connect

    Laman, David M.; Joly, Alan G.; Ray, Douglas

    2003-07-22

    Rotational coherence spectroscopy (RCS), via time-correlated single photon counting, and two-color resonant two-photon ionization (R2PI) time-of-flight mass spectrometry, have been used to characterize fluorene-(water)1,2 (FL-(water)1,2) van der Waals clusters generated in supersonic jets. Rotational coherence traces have been obtained at excitation energies corresponding to several resonant features in the S1S0 R2PI spectra of FL-(H2O)1,2. RCS simulations and diagonalization of the moment of inertia tensor have been used to obtain the S1 excited state rotational constants and structures of FL-(H2O)1,2 that are consistent with the experimental rotational coherence traces. The RCS results indicate that: (i) the water molecule in FL-H2O bridges the central five-membered ring of fluorene and hydrogen bonds to both aromatic sites; (ii) the water molecules in FL-(H2O)2 form a water dimer that is oriented along the long axis of fluorene and is hydrogen-bonded to both aromatic sites. The S1S0 R2PI spectra of FL-(D2O)1,2 and FL-HDO have also been obtained. The transition is a doublet in the R2PI spectra of FL-H2O, FL-D2O, and a singlet in the R2PI spectrum of FL-HDO. The presence of this doublet in the FL-H2O/D2O spectra, and the absence of such a splitting in the FL-HDO spectrum, is an indication of nearly free internal rotation of the water molecule on a potential energy surface that changes upon electronic excitation. Lastly, the use of RCS and psec time-resolved fluorescence as a tool for assigning features in R2PI spectra that are of ambiguous origin due to fragmentation of higher mass clusters into lower mass channels is demonstrated.

  19. Cyclic Enkephalins with a Diversely Substituted Guanidine Bridge or a Thiourea Bridge: Synthesis, Biological and Structural Evaluations

    PubMed Central

    Touati-Jallabe, Youness; Mauchauffée, Elodie; Chung, Nga N.; Schiller, Peter W.; Benyhe, Sandor; Averlant-Petit, Marie-Christine; Martinez, Jean; Hernandez, Jean-Franćois

    2014-01-01

    Two series of 22 and 15 atom cyclic enkephalins incorporating a diversely substituted guanidine bridge have been prepared to assess the potential effect of the bridge substitutions on their opioid activity profile. The most notable results were obtained with the shortest cyclic analogues, which showed a significant variation of their binding affinity toward μ and δ opioid receptors in relation to bridge substitution. NMR studies were performed to rationalize these data. Some small analogues were found to exist as at least one major and one minor stable forms, which could be separated by chromatography. In particular, the compounds 13 and 14 with a cyclic substituent were separated in three isomers and the basis of this multiplicity was explored by 2D NMR spectroscopy. All compounds were agonists with slight selectivity for the μ opioid receptor. Compounds 7a (thiourea bridge) and 10a (N-Me-guanidine bridge) showed nanomolar affinity toward μ receptor, the latter being the more selective for this receptor (40-fold). PMID:23822516

  20. Developing Dislocation Subgrain Structures and Cyclic Softening During High-Temperature Creep-Fatigue of a Nickel Alloy

    NASA Astrophysics Data System (ADS)

    Carroll, M. C.; Carroll, L. J.

    2013-08-01

    The complex cyclic deformation response of Alloy 617 under creep-fatigue conditions is of practical interest both in terms of the observed detriment in failure life and the considerable cyclic softening that occurs. At the low strain ranges investigated, the inelastic strain is the sole predictor of the failure life without taking into consideration a potentially significant environmental influence. The tensile-hold creep-fatigue peak stress response can be directly correlated to the evolving dislocation substructure, which consists of a relatively homogenous distribution of subgrains. Progressive high-temperature cycling with a static hold allows for the rearrangement of loose tangles of dislocations into well-ordered hexagonal dislocation networks. The cyclic softening during tensile-hold creep-fatigue deformation is attributable to two factors: the rearrangement of dislocation substructures into lower-energy configurations, which includes a decreasing dislocation density in subgrain interiors through integration into the subgrain boundaries, and the formation of surface grain boundary cracks and cavity formation or separation at interior grain boundaries, which occurs perpendicular to the stress axis. Effects attributable to the tensile character of the hold cycle are further analyzed through variations in the creep-fatigue waveform and illuminate the effects of the hold-time character on the overall creep-fatigue behavior and evolution of the dislocation substructure.

  1. Origin of Rotating Ring Structures in the Strong Gravity of a Central Object.

    NASA Astrophysics Data System (ADS)

    Coppi, B.

    2006-04-01

    The origin of plasma rotating ring structures forming around a central object whose gravity is prevalent has been identified [1] through the analysis of thin equilibrium configurations that are immersed in a relatively weak external magnetic field and can carry internal toroidal currents. Unlike the case of the ``classical'' gaseous disk, in which the vertical equilibrium is maintained only by gravity, rings are maintained vertically by the Lorentz force and radially by gravity. The differential rotation is the sustaining factor of these ring structures and of the jets that may emerge from them. The rings are connected with the formation of a periodic sequence [2] of Field Reverse Configurations of the poloidal magnetic field, consisting of pairs of counter-streaming toroidal current channels. In magnetic field configurations that have been considered previously for accretion disks the magnetic field diffusion was assumed to be such that the Ferraro isorotation condition was not valid, while in our case it has a primary role. The relevant equilibria are not described by the Grad-Shafranov equation but by two non-linear coupled equations that have been solved analytically. These provide both the plasma pressure function and the magnetic surface function once a consistent plasma density function is chosen within a relatively narrow class. A two-fluid description of the same equilibria is given differentiating the relative roles of electrons and ions.[1] B. Coppi and F. Rousseau, to appear in Ap. J., April (2006). [2] B. Coppi, Phys. of Plasmas, 12, 057302 (2005).

  2. Rotation and the internal structures of the major planets and their inner satellites

    NASA Technical Reports Server (NTRS)

    Dermott, S. F.

    1984-01-01

    Measurements of the rotational periods coupled with those of the masses, the mean radii, and the shapes or the gravitational moments (J2 and J4) enable important constraints to be placed on the internal structures of some remote bodies. Values of J2 for Uranus and Neptune have been calculated from the observed precession rates of the narrow eccentric and inclined Uranian rings and of the orbit of Triton, Neptune's massive satellite. Recent observations of the motions of spots have yielded reliable rotational periods for these planets. These observations are used to show that Uranus and Neptune may have quite different internal structures. The shapes of satellites that are close to their primaries may yield information on the degree of internal differentiation of these bodies. Io, Mimas, Enceladus, and Miranda are of interest in this respect. Residuals in the observed precession rates of the Uranian rings, about 0.005 deg/day, that cannot be accounted for by the best-fit model of J2 and J4 may be related directly to observed irregular variations in ring width of magnitude over 2 km and may indicate the existence of shepherding satellites with mass ratios of over 10 to the -10th. If this is the case, then the effects of these satellites on the precession rates of the rings will result in an appreciable uncertainty in the value of J4 for Uranus.

  3. Internal rapid rotation and its implications for stellar structure and pulsations

    NASA Astrophysics Data System (ADS)

    Reese, Daniel R.

    2015-09-01

    Massive and intermediate mass stars play a crucial role in astrophysics. Indeed, massive stars are the main producers of heavy elements, explode in supernovae at the end of their short lifetimes, and may be the progenitors of gamma ray bursts. Intermediate mass stars, although not destined to explode in supernovae, display similar phenomena, are much more numerous, and have some of the richest pulsation spectra. A key to understanding these stars is understanding the effects of rapid rotation on their structure and evolution. These effects include centrifugal deformation and gravity darkening which can be observed immediately, and long terms effects such as rotational mixing due to shear turbulence, which prolong stellar lifetime, modify chemical yields, and impact the stellar remnant at the end of their lifetime. In order to understand these effects, a number of models have been and are being developed over the past few years. These models lead to increasingly sophisticated predictions which need to be tested through observations. A particularly promising source of constraints is seismic observations as these may potentially lead to detailed information on their internal structure. However, before extracting such information, a number of theoretical and observational hurdles need to be overcome, not least of which is mode identification. The present proceedings describe recent progress in modelling these stars and show how an improved understanding of their pulsations, namely frequency patterns, mode visibilities, line profile variations, and mode excitation, may help with deciphering seismic observations.

  4. Rotational tunneling of methyl groups in low temperature phases of mesitylene: potentials and structural implications.

    PubMed

    Prager, M; Grimm, H; Natkaniec, I

    2005-07-01

    Mesitylene can be stabilized at He temperature in three solid phases of so far unknown crystal structures. Rotational tunneling of methyl groups is based on rotational potentials and used to characterize structural aspects. In phase III found after the first fast cooling of the sample three nonequivalent methyl rotors with splittings of 2.7, 4.1 and 16.3 microeV are observed. Three other unresolved bands are identified by their librational modes. In the second phase II the metastability is emphasized by tunneling energies still changing at temperatures T< or = 12 K. Above this temperature tunneling bands at 6.6, 12.5, 15.0 and 18.3 microeV evolve in the manner characteristic of coupling to phonons. In the equilibrium phase I a single tunnel splitting of 10.2 microeV represents all methyl groups. A unit cell containing a single molecule at a site of threefold symmetry explains quantitatively this spectrum. Phases II and III most likely contain two nonequivalent molecules in the unit cell with no local symmetry in phase II and a mirror plane in phase III. The good moderator properties for neutrons are most likely not connected to the low energy tunneling bands but to a dense vibrational phonon density of states. PMID:16189568

  5. Rotational spectroscopy and molecular structure of the 1,1,2-trifluoroethylene-hydrogen chloride complex.

    PubMed

    Leung, Helen O; Marshall, Mark D; Ray, Margaret R; Kang, Justin T

    2010-10-21

    Fourier transform microwave spectra in the 6-20 GHz region are obtained for the complex formed between 1,1,2-trifluoroethylene and hydrogen chloride, including both (35)Cl and (37)Cl isotopomers. Analysis of the spectra provides rotational constants and additionally, the complete quadrupole hyperfine coupling tensor in both the inertial and principal electric field gradient axis systems. The inertial information contained in the rotational constants combined with the results of the hyperfine analysis provides the structure for CF(2)CHF-HCl. A primary, hydrogen bonding interaction exists between the HCl donor and the F atom geminal to the H atom on the substituted ethylene. The hydrogen bond is bent from linearity to allow a secondary interaction to form between this H atom and the Cl atom. Comparisons made to similar complexes involving both other protic acids (HF and HCCH) and fluoroethylenes (vinyl fluoride and 1,1-difluoroethylene) reveal the effects of varying gas phase hydrogen bond donor strength, of increasing fluorine substitution on fluorine atom nucleophilicity, and on the relative importance of steric versus electrostatic effects in determining the structures of these species. PMID:20873841

  6. Experimental values of the rotational and vibrational constants and equilibrium structure of nitrogen trifluoride

    NASA Astrophysics Data System (ADS)

    Najib, Hamid

    2015-06-01

    Several accurate experimental values of the rovibrational interaction constants αC and αB, the harmonic wave-number parameters ωij, and the anharmonicity xij and gij constants have been extracted from the most recent high-resolution Fourier transform infrared (FTIR), centimeter-wave (CMW) and millimeter-wave (MMW) measurements in the spectra of the oblate symmetric top molecule 14NF3. The data used are those of the four fundamental, the overtone, the combination and the hot bands identified and analyzed in the range between 400 cm-1 and 2000 cm-1. Combining the recent experimental values of the constants αC and αB, with the accurate experimental ground state rotational constants C0 and B0, new equilibrium rotational constants have been evaluated: Ce = 0.1968006 (26) cm-1 and Be = 0.358981442 (43) cm-1 for the pyramidal molecule NF3, from which the following equilibrium structure is obtained: re(F-N) = 1.36757 (58) Å; θe(FNF) = 101.8513 (10)°. This experimental equilibrium geometry is in excellent agreement with the recent structure determined by ab initio calculations at the CCSD(T)/aug-cc-pVQZ level of theory.

  7. Fine structure of alpha decay to rotational states of heavy nuclei

    SciTech Connect

    Wang, Y. Z.; Dong, J. M.; Peng, B. B.; Zhang, H. F.

    2010-06-15

    To gain a better insight into alpha-decay fine structure, we calculate the relative intensities of alpha decay to 2{sup +} and 4{sup +} rotational states in the framework of the generalized liquid drop model (GLDM) and improved Royer's formula. The calculated relative intensities of alpha decay to 2{sup +} states are in good agreement with the experimental data. For the relative intensities of alpha decay to 4{sup +} states, a good agreement with experimental data is achieved for Th and U isotopes. The formula we obtain is useful for the analysis of experimental data of alpha-decay fine structure. In addition, some predicted relative intensities which are still not measured are provided for future experiments.

  8. Paleomagnetic and structural evidence for middle Tertiary counterclockwise block rotation in the Dixie Valley region, west-central Nevada

    SciTech Connect

    Hudson, M.R.; Geissman, J.W.

    1987-07-01

    Paleomagnetic data from late Oligocene to early Miocene ash-flow tuffs at four localities in the northern Dixie Valley region, west-central Nevada, indicate that parts of the crust have rotated counterclockwise by at least 25/sup 0/ and perhaps significantly more in late Cenozoic time. Field relations in White Rock Canyon, Stillwater Range, suggest that rotation (1) was accommodated by right-lateral slip on northwest-trending faults, (2) spanned ash-flow tuff emplacement, and (3) probably ceased before eruption of overlying middle Miocene basalts. Accurate estimates of Cenozoic extension, as well as evaluation of earlier Mesozoic structures, must include the strain partitioned into rotation in the area.

  9. Horizon structure of rotating Einstein-Born-Infeld black holes and shadow

    NASA Astrophysics Data System (ADS)

    Atamurotov, Farruh; Ghosh, Sushant G.; Ahmedov, Bobomurat

    2016-05-01

    We investigate the horizon structure of the rotating Einstein-Born-Infeld solution which goes over to the Einstein-Maxwell's Kerr-Newman solution as the Born-Infeld parameter goes to infinity (β → ∞). We find that for a given β , mass M, and charge Q, there exist a critical spinning parameter aE and rHE, which corresponds to an extremal Einstein-Born-Infeld black hole with degenerate horizons, and aE decreases and rHE increases with increase of the Born-Infeld parameter β , while arotating Einstein-Born-Infeld black hole and demonstrate that the null geodesic equations can be integrated, which allows us to investigate the shadow cast by a black hole which is found to be a dark zone covered by a circle. Interestingly, the shadow of an Einstein-Born-Infeld black hole is slightly smaller than for the Reissner-Nordstrom black hole, which consists of concentric circles, for different values of the Born-Infeld parameter β , whose radius decreases with increase of the value of the parameter β . Finally, we have studied observable distortion parameter for shadow of the rotating Einstein-Born-Infeld black hole.

  10. Horizon structure and shadow of rotating Einstein-Born-Infeld black holes

    NASA Astrophysics Data System (ADS)

    Atamurotov, Farruh

    2016-07-01

    We investigate the horizon structure of the rotating Einstein-Born-Infeld solution which goes over to the Einstein-Maxwell's Kerr-Newman solution as the Born-Infeld parameter goes to innity ( ! 1). We nd that for a given , mass M and charge Q, there exist critical spinning parameter aE and rEH, which corresponds to an extremal Einstein-Born-Infeld black hole with degenerate horizons, and aE decreases and rEH increases with increase in the Born-Infeld parameter . While a < aE describe a non-extremal Einstein-Born- Infeld black hole with outer and inner horizons. Similarly, the e ect of on innite redshift surface and in turn on ergoregion is also included. It is well known that a black hole can cast a shadow as an optical appearance due to its strong gravitational eld. We also investigate the shadow cast by the rotating Einstein- Born-Infeld black hole and demonstrate that the null geodesic equations can be integrated that allows us to investigate the shadow cast by a black hole which is found to be a dark zone covered by a circle. Interestingly, the shadows of Einstein-Born-Infeld black hole is slightly smaller than for the Reissner-Nordstrom black hole which are concentric circles, for di erent values of the Born-Infeld parameter , whose radius decreases with increase in the value of parameter . The shadows for the rotating Einstein-Born-Infeld solution are also included.

  11. Potent μ-Opioid Receptor Agonists from Cyclic Peptides Tyr-c[D-Lys-Xxx-Tyr-Gly]: Synthesis, Biological, and Structural Evaluation.

    PubMed

    Li, Yangmei; Cazares, Margret; Wu, Jinhua; Houghten, Richard A; Toll, Laurence; Dooley, Colette

    2016-02-11

    To optimize the structure of a μ-opioid receptor ligand, analogs H-Tyr-c[D-Lys-Xxx-Tyr-Gly] were synthesized and their biological activity was tested. The analog containing a Phe(3) was identified as not only exhibiting binding affinity 14-fold higher than the original hit but also producing agonist activity 3-fold more potent than morphine. NMR study suggested that a trans conformation at D-Lys(2)-Xxx(3) is crucial for these cyclic peptides to maintain high affinity, selectivity, and functional activity toward the μ-opioid receptor. PMID:26789491

  12. Stress Relaxation for Granular Materials near Jamming under Cyclic Compression

    NASA Astrophysics Data System (ADS)

    Farhadi, Somayeh; Zhu, Alex Z.; Behringer, Robert P.

    2015-10-01

    We have explored isotropically jammed states of semi-2D granular materials through cyclic compression. In each compression cycle, systems of either identical ellipses or bidisperse disks transition between jammed and unjammed states. We determine the evolution of the average pressure P and structure through consecutive jammed states. We observe a transition point ϕm above which P persists over many cycles; below ϕm, P relaxes slowly. The relaxation time scale associated with P increases with packing fraction, while the relaxation time scale for collective particle motion remains constant. The collective motion of the ellipses is hindered compared to disks because of the rotational constraints on elliptical particles.

  13. Structure of the cyclic peptide [W8S]contryphan Vn: effect of the tryptophan/serine substitution on trans-cis proline isomerization.

    PubMed

    Nepravishta, Ridvan; Mandaliti, Walter; Melino, Sonia; Eliseo, Tommaso; Paci, Maurizio

    2014-12-01

    The structural characterization of [W8S]contryphan Vn, an analogue of Contryphan Vn with tryptophan 8 substituted with a serine residue (W8S), was performed by NMR spectroscopy, molecular dynamics simulations and fluorescence spectroscopy. Contryphan Vn, a bioactive cyclic peptide from the venom of the cone snail Conus ventricosus, contains an S-S bridge between two cysteines and a D-tryptophan. Like other Contryphans, [W8S]contryphan Vn has proline 7 isomerized trans, while the proline 4 has nearly equivalent populations of cis and trans configurations. The thermodynamic and kinetic parameters of the trans-cis isomerization of proline 4 were measured. The isomers of [W8S]contryphan Vn with proline 4 in cis and trans show structural differences. The absence of the salt bridge between the same Asp2 and Lys6, present in Contryphan Vn, may be attributed to the lack of the hydrophobic side chain of Trp8 where it likely protects the electrostatic interactions. These results may contribute to identifying, in these cyclic peptides, the structural determinants of the mechanism of proline trans-cis isomerization, this being also an important step in protein folding. PMID:25261131

  14. Identification, Characterization, and Structure Analysis of the Cyclic di-AMP-binding PII-like Signal Transduction Protein DarA*

    PubMed Central

    Gundlach, Jan; Dickmanns, Achim; Schröder-Tittmann, Kathrin; Neumann, Piotr; Kaesler, Jan; Kampf, Jan; Herzberg, Christina; Hammer, Elke; Schwede, Frank; Kaever, Volkhard; Tittmann, Kai; Stülke, Jörg; Ficner, Ralf

    2015-01-01

    The cyclic dimeric AMP nucleotide c-di-AMP is an essential second messenger in Bacillus subtilis. We have identified the protein DarA as one of the prominent c-di-AMP receptors in B. subtilis. Crystal structure analysis shows that DarA is highly homologous to PII signal transducer proteins. In contrast to PII proteins, the functionally important B- and T-loops are swapped with respect to their size. DarA is a homotrimer that binds three molecules of c-di-AMP, each in a pocket located between two subunits. We demonstrate that DarA is capable to bind c-di-AMP and with lower affinity cyclic GMP-AMP (3′3′-cGAMP) but not c-di-GMP or 2′3′-cGAMP. Consistently the crystal structure shows that within the ligand-binding pocket only one adenine is highly specifically recognized, whereas the pocket for the other adenine appears to be promiscuous. Comparison with a homologous ligand-free DarA structure reveals that c-di-AMP binding is accompanied by conformational changes of both the fold and the position of the B-loop in DarA. PMID:25433025

  15. Identification, characterization, and structure analysis of the cyclic di-AMP-binding PII-like signal transduction protein DarA.

    PubMed

    Gundlach, Jan; Dickmanns, Achim; Schröder-Tittmann, Kathrin; Neumann, Piotr; Kaesler, Jan; Kampf, Jan; Herzberg, Christina; Hammer, Elke; Schwede, Frank; Kaever, Volkhard; Tittmann, Kai; Stülke, Jörg; Ficner, Ralf

    2015-01-30

    The cyclic dimeric AMP nucleotide c-di-AMP is an essential second messenger in Bacillus subtilis. We have identified the protein DarA as one of the prominent c-di-AMP receptors in B. subtilis. Crystal structure analysis shows that DarA is highly homologous to PII signal transducer proteins. In contrast to PII proteins, the functionally important B- and T-loops are swapped with respect to their size. DarA is a homotrimer that binds three molecules of c-di-AMP, each in a pocket located between two subunits. We demonstrate that DarA is capable to bind c-di-AMP and with lower affinity cyclic GMP-AMP (3'3'-cGAMP) but not c-di-GMP or 2'3'-cGAMP. Consistently the crystal structure shows that within the ligand-binding pocket only one adenine is highly specifically recognized, whereas the pocket for the other adenine appears to be promiscuous. Comparison with a homologous ligand-free DarA structure reveals that c-di-AMP binding is accompanied by conformational changes of both the fold and the position of the B-loop in DarA. PMID:25433025

  16. Structural relaxation and self-repair behavior in nano-scaled Zr-Cu metallic glass under cyclic loading: Molecular-dynamics simulations

    SciTech Connect

    Lo, Y. C.; Chou, H. S.; Cheng, Y. T.; Huang, J. C.; Morris, James R; Liaw, Peter K

    2010-01-01

    Bulk metallic glasses are generally regarded as highly brittle materials at room temperature, with deformation localized within a few principal shear bands. In this simulation work, it is demonstrated that when the Zr-Cu metallic glass is in a small size-scale, it can deform under cyclic loading in a semi-homogeneous manner without the occurrence of pronounced mature shear bands. Instead, the plastic deformation in simulated samples proceeds via the network-like shear-transition zones (STZs) by the reversible and irreversible structure-relaxations during cyclic loading. Dynamic recovery and reversible/irreversible structure rearrangements occur in the current model, along with annihilation/creation of excessive free volumes. This behavior would in-turn retard the damage growth of metallic glass. Current studies can help to understand the structural relaxation mechanism in metallic glass under loading. The results also imply that the brittle bulk metallic glasses can become ductile with the sample size being reduced. The application of metallic glasses in the form of thin film or nano pieces in micro-electro-mechanical systems (MEMS) could be promising.

  17. Output-only cyclo-stationary linear-parameter time-varying stochastic subspace identification method for rotating machinery and spinning structures

    NASA Astrophysics Data System (ADS)

    Velazquez, Antonio; Swartz, R. Andrew

    2015-02-01

    Economical maintenance and operation are critical issues for rotating machinery and spinning structures containing blade elements, especially large slender dynamic beams (e.g., wind turbines). Structural health monitoring systems represent promising instruments to assure reliability and good performance from the dynamics of the mechanical systems. However, such devices have not been completely perfected for spinning structures. These sensing technologies are typically informed by both mechanistic models coupled with data-driven identification techniques in the time and/or frequency domain. Frequency response functions are popular but are difficult to realize autonomously for structures of higher order, especially when overlapping frequency content is present. Instead, time-domain techniques have shown to possess powerful advantages from a practical point of view (i.e. low-order computational effort suitable for real-time or embedded algorithms) and also are more suitable to differentiate closely-related modes. Customarily, time-varying effects are often neglected or dismissed to simplify this analysis, but such cannot be the case for sinusoidally loaded structures containing spinning multi-bodies. A more complex scenario is constituted when dealing with both periodic mechanisms responsible for the vibration shaft of the rotor-blade system and the interaction of the supporting substructure. Transformations of the cyclic effects on the vibrational data can be applied to isolate inertial quantities that are different from rotation-generated forces that are typically non-stationary in nature. After applying these transformations, structural identification can be carried out by stationary techniques via data-correlated eigensystem realizations. In this paper, an exploration of a periodic stationary or cyclo-stationary subspace identification technique is presented here for spinning multi-blade systems by means of a modified Eigensystem Realization Algorithm (ERA) via

  18. Structure of STING bound to c-di-GMP Reveals the Mechanism of Cyclic Dinucleotide Recognition by the Immune System

    PubMed Central

    Shu, Chang; Yi, Guanghui; Watts, Tylan; Kao, C. Cheng; Li, Pingwei

    2012-01-01

    STING, stimulator of interferon genes, is an innate immune sensor of cyclic dinucleotides that regulates the induction of type I interferons. STING C-terminal domain forms a V-shaped dimer and binds a c-di-GMP molecule at the dimer interface through direct and solvent-mediated hydrogen bonds. The guanine bases of c-di-GMP stack against the phenolic rings of a conserved tyrosine residue. Mutations at the c-di-GMP binding surface reduce nucleotide binding and affect signaling. PMID:22728658

  19. Air-structure coupling features analysis of mining contra-rotating axial flow fan cascade

    NASA Astrophysics Data System (ADS)

    Chen, Q. G.; Sun, W.; Li, F.; Zhang, Y. J.

    2013-12-01

    The interaction between contra-rotating axial flow fan blade and working gas has been studied by means of establishing air-structure coupling control equation and combining Computational Fluid Dynamics (CFD) and Computational solid mechanics (CSM). Based on the single flow channel model, the Finite Volume Method was used to make the field discrete. Additionally, the SIMPLE algorithm, the Standard k-ε model and the Arbitrary Lagrangian-Eulerian dynamic grids technology were utilized to get the airflow motion by solving the discrete governing equations. At the same time, the Finite Element Method was used to make the field discrete to solve dynamic response characteristics of blade. Based on weak coupling method, data exchange from the fluid solver and the solid solver was processed on the coupling interface. Then interpolation was used to obtain the coupling characteristics. The results showed that the blade's maximum amplitude was on the tip of the last-stage blade and aerodynamic force signal could reflect the blade working conditions to some extent. By analyzing the flow regime in contra-rotating axial flow fan, it could be found that the vortex core region was mainly in the blade surface, the hub and the blade clearance. In those regions, the turbulence intensity was very high. The last-stage blade's operating life is shorter than that of the pre-stage blade due to the fatigue fracture occurs much more easily on the last-stage blade which bears more stress.

  20. Isolation, structure, and biological activity of Phaeofungin, a cyclic lipodepsipeptide from a Phaeosphaeria sp. Using the Genome-Wide Candida albicans Fitness Test.

    PubMed

    Singh, Sheo B; Ondeyka, John; Harris, Guy; Herath, Kithsiri; Zink, Deborah; Vicente, Francisca; Bills, Gerald; Collado, Javier; Platas, Gonzalo; González del Val, Antonio; Martin, Jesus; Reyes, Fernando; Wang, Hao; Kahn, Jennifer Nielsen; Galuska, Stefan; Giacobbe, Robert; Abruzzo, George; Roemer, Terry; Xu, Deming

    2013-03-22

    Phaeofungin (1), a new cyclic depsipeptide isolated from Phaeosphaeria sp., was discovered by application of reverse genetics technology, using the Candida albicans fitness test (CaFT). Phaeofungin is comprised of seven amino acids and a β,γ-dihydroxy-γ-methylhexadecanoic acid arranged in a 25-membered cyclic depsipeptide. Five of the amino acids were assigned with d-configurations. The structure was elucidated by 2D-NMR and HRMS-MS analysis of the natural product and its hydrolyzed linear peptide. The absolute configuration of the amino acids was determined by Marfey's method by complete and partial hydrolysis of 1. The CaFT profile of the phaeofungin-containing extract overlapped with that of phomafungin (3), another structurally different cyclic lipodepsipeptide isolated from a Phoma sp. using the same approach. Comparative biological characterization further demonstrated that these two fungal lipodepsipeptides are functionally distinct. While phomafungin was potentiated by cyclosporin A (an inhibitor of the calcineurin pathway), phaeofungin was synergized with aureobasidin A (2) (an inhibitor of the sphingolipid biosynthesis) and to some extent caspofungin (an inhibitor of glucan synthase). Furthermore, phaeofungin caused ATP release in wild-type C. albicans strains but phomafungin did not. It showed modest antifungal activity against C. albicans (MIC 16-32 μg/mL) and better activity against Aspergillus fumigatus (MIC 8-16 μg/mL) and Trichophyton mentagrophytes (MIC 4 μg/mL). The linear peptide was inactive, suggesting that the macrocyclic depsipeptide ring is essential for target engagement and antifungal activity. PMID:23259972

  1. Kinematic morphology of large-scale structure: evolution from potential to rotational flow

    SciTech Connect

    Wang, Xin; Szalay, Alex; Aragón-Calvo, Miguel A.; Neyrinck, Mark C.; Eyink, Gregory L.

    2014-09-20

    As an alternative way to describe the cosmological velocity field, we discuss the evolution of rotational invariants constructed from the velocity gradient tensor. Compared with the traditional divergence-vorticity decomposition, these invariants, defined as coefficients of the characteristic equation of the velocity gradient tensor, enable a complete classification of all possible flow patterns in the dark-matter comoving frame, including both potential and vortical flows. We show that this tool, first introduced in turbulence two decades ago, is very useful for understanding the evolution of the cosmic web structure, and in classifying its morphology. Before shell crossing, different categories of potential flow are highly associated with the cosmic web structure because of the coherent evolution of density and velocity. This correspondence is even preserved at some level when vorticity is generated after shell crossing. The evolution from the potential to vortical flow can be traced continuously by these invariants. With the help of this tool, we show that the vorticity is generated in a particular way that is highly correlated with the large-scale structure. This includes a distinct spatial distribution and different types of alignment between the cosmic web and vorticity direction for various vortical flows. Incorporating shell crossing into closed dynamical systems is highly non-trivial, but we propose a possible statistical explanation for some of the phenomena relating to the internal structure of the three-dimensional invariant space.

  2. Kinematic Morphology of Large-scale Structure: Evolution from Potential to Rotational Flow

    NASA Astrophysics Data System (ADS)

    Wang, Xin; Szalay, Alex; Aragón-Calvo, Miguel A.; Neyrinck, Mark C.; Eyink, Gregory L.

    2014-09-01

    As an alternative way to describe the cosmological velocity field, we discuss the evolution of rotational invariants constructed from the velocity gradient tensor. Compared with the traditional divergence-vorticity decomposition, these invariants, defined as coefficients of the characteristic equation of the velocity gradient tensor, enable a complete classification of all possible flow patterns in the dark-matter comoving frame, including both potential and vortical flows. We show that this tool, first introduced in turbulence two decades ago, is very useful for understanding the evolution of the cosmic web structure, and in classifying its morphology. Before shell crossing, different categories of potential flow are highly associated with the cosmic web structure because of the coherent evolution of density and velocity. This correspondence is even preserved at some level when vorticity is generated after shell crossing. The evolution from the potential to vortical flow can be traced continuously by these invariants. With the help of this tool, we show that the vorticity is generated in a particular way that is highly correlated with the large-scale structure. This includes a distinct spatial distribution and different types of alignment between the cosmic web and vorticity direction for various vortical flows. Incorporating shell crossing into closed dynamical systems is highly non-trivial, but we propose a possible statistical explanation for some of the phenomena relating to the internal structure of the three-dimensional invariant space.

  3. Self-assembly in a near-frictionless granular material: conformational structures and transitions in uniaxial cyclic compression of hydrogel spheres.

    PubMed

    Walker, David M; Tordesillas, Antoinette; Brodu, Nicolas; Dijksman, Joshua A; Behringer, Robert P; Froyland, Gary

    2015-03-21

    We use a Markov transition matrix-based analysis to explore the structures and structural transitions in a three-dimensional assembly of hydrogel spheres under cyclic uniaxial compression. We apply these methods on experimental data obtained from a packing of nearly frictionless hydrogel balls. This allows an exploration of the emergence and evolution of mesoscale internal structures - a key micromechanical property that governs self-assembly and self-organization in dense granular media. To probe the mesoscopic force network structure, we consider two structural state spaces: (i) a particle and its contacting neighbours, and (ii) a particle's local minimal cycle topology summarized by a cycle vector. In both spaces, our analysis of the transition dynamics reveals which structures and which sets of structures are most prevalent and most likely to transform into each other during the compression/decompression of the material. In compressed states, structures rich in 3-cycle or triangle topologies form in abundance. In contrast, in uncompressed states, transitions comprising poorly connected structures are dominant. An almost-invariant transition set within the cycle vector space is discovered that identifies an intermediate set of structures crucial to the material's transition from weakly jammed to strongly jammed, and vice versa. Preferred transition pathways are also highlighted and discussed with respect to thermo-micro-mechanical constitutive formulations. PMID:25634109

  4. Tuning the photoluminescence of condensed-phase cyclic trinuclear Au(I) complexes through control of their aggregated structures by external stimuli

    NASA Astrophysics Data System (ADS)

    Fujisawa, Kaori; Yamada, Shigeyuki; Yanagi, Yukihiro; Yoshioka, Yasunori; Kiyohara, Ayumi; Tsutsumi, Osamu

    2015-03-01

    A series of new cyclic trinuclear Au(I) complexes with alkoxy side chains of various lengths were synthesized as photoluminescence materials. None of the complexes emitted luminescence in solution; however, some showed photoluminescence in the crystalline phase. Single crystal X-ray structural analyses revealed that an intermolecular interaction between two Au atoms (aurophilic interaction) existed only in the emissive complexes, which formed molecular aggregates in the crystal. Because isolated molecules show no luminescence in the present system, we conclude that only molecules aggregated via aurophilic interactions can luminesce. We demonstrated that luminescence properties, such as colour and intensity, were very sensitive to the aggregated structure of the molecules. We also found that such luminescence properties can be controlled by a change in the aggregated structure induced by external stimuli, such as heat, solvent, and mechanical stress.

  5. Orientational glass in mixtures of elliptic and circular particles: structural heterogeneities, rotational dynamics, and rheology.

    PubMed

    Takae, Kyohei; Onuki, Akira

    2014-02-01

    Using molecular dynamics simulation with an angle-dependent Lennard-Jones potential, we study orientational glass with quadrupolar symmetry in mixtures of elliptic particles and circular impurities in two dimensions. With a mild aspect ratio (= 1.23) and a mild size ratio (= 1.2), we realize a plastic crystal at relatively high temperature T. With further lowering T, we find a structural phase transition for very small impurity concentration c and pinned disordered orientations for not small c. The ellipses are anchored by the impurities in the planar alignment. With increasing c, the orientation domains composed of isosceles triangles gradually become smaller, resulting in orientational glass with crystal order. In our simulation, the impurity distribution becomes heterogeneous during quenching from liquid, which then produces rotational dynamic heterogeneities. We also examine rheology in orientational glass to predict a shape memory effect and a superelasticity effect, where a large fraction of the strain is due to collective orientation changes. PMID:25353473

  6. Investigation of Pendulum Structures for Rotational Energy Harvesting from Human Motion

    NASA Astrophysics Data System (ADS)

    Ylli, K.; Hoffmann, D.; Willmann, A.; Folkmer, B.; Manoli, Y.

    2015-12-01

    Energy Harvesting from human motion as a means of powering body-worn devices has been in the focus of research groups for several years now. This work presents a rotational inductive energy harvester that can generate a sufficient amount of energy during normal walking to power small electronic systems. Three pendulum structures and their geometrical parameters are investigated in detail through a system model and system simulations. Based on these results a prototype device is fabricated. The masses and angles between pendulum arms can be changed for the experiments. The device is tested under real-world conditions and generates an average power of up to 23.39 mW across a resistance equal to the coil resistance of the optimal pendulum configuration. A regulated power output of the total system including power management of 3.3 mW is achieved.

  7. Structures and Rotational Barriers of a Diiodobinorsnoutane: Energetic Preference for Gauche Conformation.

    PubMed

    Herres, Joseph P; Moran, Caitlin A; Forman, Mark A; Hall, James E; McCauley, John P; Pivonka, Don E; Wesolowski, Steven S

    2016-08-01

    The diiodobinorsnoutane, bi(5-iodopentacyclo[4.3.0.0(2,4).0(3,8).0(5,7)]non-4-yl) (5), exists in a sterically hindered gauche conformation rather than an anti or an averaged (freely rotating) C2v structure. Density functional theory (DFT) predictions place the gauche conformation 11 kcal/mol more stable than the anti conformation with a barrier of 17 kcal/mol connecting the minima. These are consistent with variable-temperature NMR (17.1 ± 0.8 kcal/mol) estimates and X-ray analysis. Predictions of the torsional profiles of the yet-unsynthesized bromo-, chloro-, and fluoro- analogues show a progressive lowering of the barriers. PMID:27391283

  8. Laser Doppler vibrometry on rotating structures in coast-down: resonance frequencies and operational deflection shape characterization

    NASA Astrophysics Data System (ADS)

    Martarelli, M.; Castellini, P.; Santolini, C.; Tomasini, E. P.

    2011-11-01

    In rotating machinery, variations of modal parameters with rotation speed may be extremely important in particular for very light and undamped structures, such as helicopter rotors or wind turbines. The natural frequency dependence on rotation speed is conventionally measured by varying the rotor velocity and plotting natural frequencies versus speed in the so-called Campbell diagram. However, this kind of analysis does not give any information about the vibration spatial distribution i.e. the mode shape variation with the rotation speed must be investigated with dedicated procedures. In several cases it is not possible to fully control the rotating speed of the machine and only coast-down tests can be performed. Due to the reduced inertia of rotors, the coast-down process is usually an abrupt transient and therefore an experimental technique, able to determine operational deflection shapes (ODSs) in short time, with high spatial density and accuracy, appears very promising. Moreover coast-down processes are very difficult to control, causing unsteady vibrations. Hence, a very efficient approach for the rotation control and synchronous acquisition must be developed. In this paper a continuous scanning system able to measure ODSs and natural frequencies excited during rotor coast-down is shown. The method is based on a laser Doppler vibrometer (LDV) whose laser beam is driven to scan continuously over the rotor surface, in order to measure the ODS, and to follow the rotation of the rotor itself even in coast-down. With a single measurement the ODSs can be recovered from the LDV output time history in short time and with huge data saving. This technique has been tested on a laboratory test bench, i.e. a rotating two-blade fan, and compared with a series of non-contact approaches based on LDV: traditional experimental modal analysis (EMA) results obtained under non-rotating conditions by measuring on a sequence of points on the blade surface excited by an impact

  9. Rotational spectroscopy and molecular structure of the 1-chloro-1-fluoroethylene-acetylene complex.

    PubMed

    Leung, Helen O; Marshall, Mark D; Grimes, David D

    2011-01-21

    Guided by ab initio calculations, Fourier transform microwave spectra in the 6-21 GHz region are obtained for seven isotopomers of the complex formed between 1-chloro-1-fluoroethylene and acetylene. These include the four possible combinations of (35)Cl- and (37)Cl-containing CH(2)CClF with the most abundant acetylene isotopic modification, HCCH, and its H(13)C(13)CH analogue, as well as three singly substituted deuterated isotopomers. Analysis of the spectra determines the rotational constants and additionally, the complete chlorine quadrupole hyperfine coupling tensors in both the inertial and principal electric field gradient axis systems, and where appropriate, the diagonal components of the deuterium quadrupole coupling tensors. The inertial information contained in the rotational constants provides the structure for CH(2)CClF-HCCH: a primary, hydrogen bonding interaction existing between the HCCH donor and the F atom acceptor on the 1-chloro-1-fluoroethylene moiety, while a secondary interaction occurs between the acetylenic bond on the HCCH molecule and the H atom cis to the hydrogen-bonded F atom on the substituted ethylene, which causes the hydrogen bond to deviate from linearity. This is similar to the structure obtained for 1,1-difluoroethylene-HCCH [H. O. Leung and M. D. Marshall, J. Chem. Phys. 126, 154301 (2006)], and indeed, to within experimental uncertainty, the intermolecular interactions in CH(2)CClF-HCCH and its 1,1-difluoroethylene counterpart are practically indistinguishable, even though ab initio calculations at the MP2∕6-311G++(2d, 2p) level suggest that the former complex is more strongly bound. PMID:21261349

  10. Hints of a rotating spiral structure in the innermost regions around IRC +10216

    PubMed Central

    Quintana-Lacaci, G.; Cernicharo, J.; Agúndez, M.; Prieto, L. Velilla; Castro-Carrizo, A.; Marcelino, N.; Cabezas, C.; Peña, I.; Alonso, J.L.; Zúñiga, J.; Requena, A.; Bastida, A.; Kalugina, Y.; Lique, F.; Guélin, M.

    2016-01-01

    The Atacama Large Millimeter/submillimeter Array (ALMA) is allowing us to study the innermost regions of the circumstellar envelopes of evolved stars with un-precedented precision and sensitivity. Key processes in the ejection of matter and dust from these objects occur in their inner zones. In this work, we present sub-arcsecond interferometric maps of transitions of metal-bearing molecules towards the prototypical C-rich evolved star IRC +10216. While Al-bearing molecules seem to be present as a roughly spherical shell, the molecular emission from the salts NaCl and KCl presents an elongation in the inner regions, with a central minimum. In order to accurately analyze the emission from the NaCl rotational lines, we present new calculations of the collisional rates for this molecule based on new spectroscopic constants. The most plausible interpretation for the spatial distribution of the salts is a spiral with a NaCl mass of 0.08M☉. Alternatively, a torus of gas and dust would result in similar structures as those observed. From the torus scenario we derive a mass of ~ 1.1 × 10−4M☉. In both cases, the spiral and the torus, the NaCl structure presents an inner minimum of 27 AU. In the case of the torus, the outer radius is 73 AU. The kinematics of both the spiral and the torus suggests that they are slowly expanding and rotating. Alternative explanations for the presence of the elongation are explored. The presence of these features only in KCl and NaCl might be a result of their comparatively high dipole moment with respect to the Al-bearing species. PMID:26997665

  11. Hints of a Rotating Spiral Structure in the Innermost Regions around IRC+10216

    NASA Astrophysics Data System (ADS)

    Quintana-Lacaci, G.; Cernicharo, J.; Agúndez, M.; Velilla Prieto, L.; Castro-Carrizo, A.; Marcelino, N.; Cabezas, C.; Peña, I.; Alonso, J. L.; Zúñiga, J.; Requena, A.; Bastida, A.; Kalugina, Y.; Lique, F.; Guélin, M.

    2016-02-01

    The Atacama Large Millimeter/submillimeter Array is allowing us to study the innermost regions of the circumstellar envelopes of evolved stars with unprecedented precision and sensitivity. Key processes in the ejection of matter and dust from these objects occur in their inner zones. In this work, we present sub-arcsecond interferometric maps of transitions of metal-bearing molecules toward the prototypical C-rich evolved star IRC +10216. While Al-bearing molecules seem to be present as a roughly spherical shell, the molecular emission from the salts NaCl and KCl presents an elongation in the inner regions with a central minimum. In order to accurately analyze the emission from the NaCl rotational lines, we present new calculations of the collisional rates for this molecule based on new spectroscopic constants. The most plausible interpretation for the spatial distribution of the salts is a spiral with a NaCl mass of 0.08 {M}⊙ . Alternatively, a torus of gas and dust would result in structures similar to those observed. From the torus scenario we derive a mass of ˜1.1 × 10-4 {M}⊙ . In both cases, the spiral and the torus, the NaCl structure presents an inner minimum of 27 AU. In the case of the torus, the outer radius is 73 AU. The kinematics of both the spiral and the torus suggests that they are slowly expanding and rotating. Alternative explanations for the presence of the elongation are explored. The presence of these features only in KCl and NaCl might be a result of their comparatively high dipole moment with respect to the Al-bearing species.

  12. Rotational spectra, nuclear quadrupole hyperfine tensors, and conformational structures of the mustard gas simulent 2-chloroethyl ethyl sulfide

    NASA Astrophysics Data System (ADS)

    Tubergen, M. J.; Lesarri, A.; Suenram, R. D.; Samuels, A. C.; Jensen, J. O.; Ellzy, M. W.; Lochner, J. M.

    2005-10-01

    Rotational spectra have been recorded for both the 35Cl and 37Cl isotopic forms of two structural conformations of 2-chloroethyl ethyl sulfide (CEES). The rotational constants of the 35Cl and 37Cl isotopomers were used to identify the conformational isomers. A total of 236 hyperfine transitions have been assigned for 47 rotational transitions of the 35Cl isotope of a GGT conformer, and 146 hyperfine have been assigned for 37 rotational transitions of the 37Cl isotopomer. For the second conformer, a total of 128 (110) hyperfine and 30 (28) rotational transitions have also been assigned to the 35Cl ( 37Cl) isotopes of a TGT conformation. The extensive hyperfine splitting data, measured to high resolution with a compact Fourier transform microwave spectrometer, were used to determine both the diagonal and off-diagonal elements of the 35Cl and 37Cl nuclear quadrupole coupling tensors in the inertial tensor principal axis system. The experimental rotational constant data, as well as the 35Cl and 37Cl nuclear quadrupole coupling tensors, were compared to the results from 27 optimized ab initio (HF/6-311++G ∗∗ and MP2/6-311++G ∗∗) model structures.

  13. Application of HAADF STEM image analysis to structure determination in rotationally disordered and amorphous multilayered films

    NASA Astrophysics Data System (ADS)

    Mitchson, Gavin; Ditto, Jeffrey; Woods, Keenan N.; Westover, Richard; Page, Catherine J.; Johnson, David C.

    2016-08-01

    We report results from high angle annular dark field scanning transmission electron microscopy (HAADF STEM) image analysis of complex semi-crystalline and amorphous materials, and apply the insights gained from local structure information towards global structure determination. Variations in HAADF STEM intensities for a rotationally disordered heterostructure and an amorphous oxide film are statistically analyzed to extract information regarding the inhomogeneity of the films perpendicular to the substrate. By assuming chemical homogeneity in the film axis parallel to the substrate, the signal intensity variation parallel to the substrate is used to estimate the signal noise level, allowing evaluation of the significance of intensity differences in the substrate normal direction. The positions of HAADF STEM intensity peaks in the perpendicular direction, averaged from multiple images, provide a valuable initial model for a Rietveld refinement of the global c-axis structure of the heterostructure. For an amorphous multi-coat solution-cast oxide sample, the analysis reveals statistically significant variations in the HAADF STEM intensity profile perpendicular to the substrate. These variations indicate an inhomogeneous density profile, presumably related to the spin-casting of individual layers and have implications for understanding the chemical interactions that occur between layers when preparing multilayer amorphous oxide films from solution.

  14. Dislocation model of nucleation and development of slip bands and their effect on service life of structural materials subject to cyclic loading

    NASA Astrophysics Data System (ADS)

    Shetulov, D. I.; Andreev, V. V.; Myasnikov, A. M.

    2015-12-01

    Most of the destructions of machine parts are of fatigue character. Under cyclic loading, the surface layer, in which hardening-softening processes rapidly occur, is formed almost at once after its beginning. The interaction of plastic-deformation traces with each other and with other structural elements, such as grains, results in the formation of a characteristic microstructure of the machine-part surface subject to cyclic loadings. The character of accumulation of slip bands and their shape (narrow, wide, twisting, and broken) depends on the conditions under which (under what factors) the cyclic loading occurs. The fatigue-resistance index expressed in terms of the slope of left portion of the fatigue curve linearized in logarithmic coordinates also depends on the set of relevant factors. The dependence of the surface damageability on the fatigue resistance index makes it possible to implement the method of predicting the fatigue curve by the description of the factors acting on a detail or construction. The position of the inflection point on the curve in the highcycle fatigue region (the endurance limit and the number of loading cycles, the ordinate and abscissa of the inflection point on the fatigue curve, respectively) also depends on the set of relevant factors. In combination with the previously obtained value of the slope of the left portion of the curve in the high-cycle fatigue region, this makes it possible to construct an a priori fatigue curve, thus reducing the scope of required fatigue tests and, hence, high expenses because of their long duration and high cost. The scope of tests upon using the developed method of prediction may be reduced to a minimum of one or two samples at the predicted level of the endurance limit.

  15. Dislocation model of nucleation and development of slip bands and their effect on service life of structural materials subject to cyclic loading

    SciTech Connect

    Shetulov, D. I.; Andreev, V. V. Myasnikov, A. M.

    2015-12-15

    Most of the destructions of machine parts are of fatigue character. Under cyclic loading, the surface layer, in which hardening–softening processes rapidly occur, is formed almost at once after its beginning. The interaction of plastic-deformation traces with each other and with other structural elements, such as grains, results in the formation of a characteristic microstructure of the machine-part surface subject to cyclic loadings. The character of accumulation of slip bands and their shape (narrow, wide, twisting, and broken) depends on the conditions under which (under what factors) the cyclic loading occurs. The fatigue-resistance index expressed in terms of the slope of left portion of the fatigue curve linearized in logarithmic coordinates also depends on the set of relevant factors. The dependence of the surface damageability on the fatigue resistance index makes it possible to implement the method of predicting the fatigue curve by the description of the factors acting on a detail or construction. The position of the inflection point on the curve in the highcycle fatigue region (the endurance limit and the number of loading cycles, the ordinate and abscissa of the inflection point on the fatigue curve, respectively) also depends on the set of relevant factors. In combination with the previously obtained value of the slope of the left portion of the curve in the high-cycle fatigue region, this makes it possible to construct an a priori fatigue curve, thus reducing the scope of required fatigue tests and, hence, high expenses because of their long duration and high cost. The scope of tests upon using the developed method of prediction may be reduced to a minimum of one or two samples at the predicted level of the endurance limit.

  16. Equilibrium Structure of Rotationally and Tidally Distorted Prasad Model Including the Effect of Mass Variation Inside the Star

    NASA Astrophysics Data System (ADS)

    Saini, Seema; Lal, A. K.; Kumar, Sunil

    2014-03-01

    In this paper we propose suitable modifications in the concept of Roche equipotentials to account for the effect of mass distribution inside the star on its equipotential surfaces and use this in conjunction with the approach of Kippenhahn and Thomas, in a manner earlier used by Prasad and Mohan, to incorporate the effects of rotational and tidal forces in the equations of stellar structure parameters. The proposed method has been used to compute the structure parameters of the rotationally and tidally distorted Prasad model of the star.

  17. Structure and development of old-growth, unmanaged second-growth, and extended rotation Pinus resinosa forests in Minnesota, USA

    USGS Publications Warehouse

    Silver, Emily J.; D'Amato, Anthony W.; Fraver, Shawn; Palik, Brian J.; Bradford, John B.

    2013-01-01

    The structure and developmental dynamics of old-growth forests often serve as important baselines for restoration prescriptions aimed at promoting more complex structural conditions in managed forest landscapes. Nonetheless, long-term information on natural patterns of development is rare for many commercially important and ecologically widespread forest types. Moreover, the effectiveness of approaches recommended for restoring old-growth structural conditions to managed forests, such as the application of extended rotation forestry, has been little studied. This study uses several long-term datasets from old growth, extended rotation, and unmanaged second growth Pinus resinosa (red pine) forests in northern Minnesota, USA, to quantify the range of variation in structural conditions for this forest type and to evaluate the effectiveness of extended rotation forestry at promoting the development of late-successional structural conditions. Long-term tree population data from permanent plots for one of the old-growth stands and the extended rotation stands (87 and 61 years, respectively) also allowed for an examination of the long-term structural dynamics of these systems. Old-growth forests were more structurally complex than unmanaged second-growth and extended rotation red pine stands, due in large part to the significantly higher volumes of coarse woody debris (70.7 vs. 11.5 and 4.7 m3/ha, respectively) and higher snag basal area (6.9 vs. 2.9 and 0.5 m2/ha, respectively). In addition, old-growth forests, although red pine-dominated, contained a greater abundance of other species, including Pinus strobus, Abies balsamea, and Picea glauca relative to the other stand types examined. These differences between stand types largely reflect historic gap-scale disturbances within the old-growth systems and their corresponding structural and compositional legacies. Nonetheless, extended rotation thinning treatments, by accelerating advancement to larger tree diameter

  18. Matrix formulation and singular-value decomposition algorithm for structured varimax rotation in multivariate singular spectrum analysis

    NASA Astrophysics Data System (ADS)

    Portes, Leonardo L.; Aguirre, Luis A.

    2016-05-01

    Groth and Ghil [Phys. Rev. E 84, 036206 (2011), 10.1103/PhysRevE.84.036206] developed a modified varimax rotation aimed at enhancing the ability of the multivariate singular spectrum analysis (M-SSA) to characterize phase synchronization in systems of coupled chaotic oscillators. Due to the special structure of the M-SSA eigenvectors, the modification proposed by Groth and Ghil imposes a constraint in the rotation of blocks of components associated with the different subsystems. Accordingly, here we call it a structured varimax rotation (SVR). The SVR was presented as successive pairwise rotations of the eigenvectors. The aim of this paper is threefold. First, we develop a closed matrix formulation for the entire family of structured orthomax rotation criteria, for which the SVR is a special case. Second, this matrix approach is used to enable the use of known singular value algorithms for fast computation, allowing a simultaneous rotation of the M-SSA eigenvectors (a Python code is provided in the Appendix). This could be critical in the characterization of phase synchronization phenomena in large real systems of coupled oscillators. Furthermore, the closed algebraic matrix formulation could be used in theoretical studies of the (modified) M-SSA approach. Third, we illustrate the use of the proposed singular value algorithm for the SVR in the context of the two benchmark examples of Groth and Ghil: the Rössler system in the chaotic (i) phase-coherent and (ii) funnel regimes. Comparison with the results obtained with Kaiser's original (unstructured) varimax rotation (UVR) reveals that both SVR and UVR give the same result for the phase-coherent scenario, but for the more complex behavior (ii) only the SVR improves on the M-SSA.

  19. Matrix formulation and singular-value decomposition algorithm for structured varimax rotation in multivariate singular spectrum analysis.

    PubMed

    Portes, Leonardo L; Aguirre, Luis A

    2016-05-01

    Groth and Ghil [Phys. Rev. E 84, 036206 (2011)PLEEE81539-375510.1103/PhysRevE.84.036206] developed a modified varimax rotation aimed at enhancing the ability of the multivariate singular spectrum analysis (M-SSA) to characterize phase synchronization in systems of coupled chaotic oscillators. Due to the special structure of the M-SSA eigenvectors, the modification proposed by Groth and Ghil imposes a constraint in the rotation of blocks of components associated with the different subsystems. Accordingly, here we call it a structured varimax rotation (SVR). The SVR was presented as successive pairwise rotations of the eigenvectors. The aim of this paper is threefold. First, we develop a closed matrix formulation for the entire family of structured orthomax rotation criteria, for which the SVR is a special case. Second, this matrix approach is used to enable the use of known singular value algorithms for fast computation, allowing a simultaneous rotation of the M-SSA eigenvectors (a Python code is provided in the Appendix). This could be critical in the characterization of phase synchronization phenomena in large real systems of coupled oscillators. Furthermore, the closed algebraic matrix formulation could be used in theoretical studies of the (modified) M-SSA approach. Third, we illustrate the use of the proposed singular value algorithm for the SVR in the context of the two benchmark examples of Groth and Ghil: the Rössler system in the chaotic (i) phase-coherent and (ii) funnel regimes. Comparison with the results obtained with Kaiser's original (unstructured) varimax rotation (UVR) reveals that both SVR and UVR give the same result for the phase-coherent scenario, but for the more complex behavior (ii) only the SVR improves on the M-SSA. PMID:27300889

  20. The structure and dynamics of coherent vortex tubes in rotating shear turbulence of zero-mean-absolute vorticity.

    NASA Astrophysics Data System (ADS)

    Tanaka, Mitsuru; Yanase, Shinichiro

    2010-05-01

    The effect of the system rotation on shear flow turbulence is one of the central issues of fluid mechanics in relation to geophysical and astrophysical phenomena as well as engineering applications such as turbo machinery, so is still being vigorously investigated. If a turbulent shear flow is rotated as a whole about the axis parallel to the mean-shear vorticity, the flow structure is significantly influenced by the magnitude and direction of vorticity associated with the mean shear relative to those of the system rotation. The flow field is called either cyclonic or anti-cyclonic accordingly as vorticities associated with the mean shear and the system rotation are parallel or anti-parallel. Turbulence has a tendency to keep its two-dimensional structure along the system rotation both for cyclonic and for an anti-cyclonic regions for rapid system rotation, whereas the two-dimensional structure is unstable and easily broken down to three-dimensional in an anti-cyclonic region if the system rotation is relatively slow to the mean-shear vorticity. If the flow field is anti-cyclonic and the mean-shear vorticity cancels out that of the system rotation, the mean absolute vorticity is zero in the flow field, and then it is called the zero-mean-absolute-vorticity state (ZAVS). ZAVS, which is neutral to the above-mentioned instability, is observed in many rotating shear flow turbulence. One of the most remarkable features of ZAVS turbulence is the generation of very coherent quasi-streamwise vortex tubes which are not observed in other cases of rotating or nonrotating turbulence. Though the importance of the role of vortex tubes in shear flow turbulence is generally recognized, it is not easy to study their dynamics due to the interactions between vortex tubes and vortex-shear layers which are generated from the background mean-shear vorticity. In ZAVS, on the other hand, it is rather easy to investigate vortex tubes in turbulence because they are stable and long

  1. Structure and Rotation of the Solar Interior: Initial Results from the MDI Medium-L Program

    NASA Technical Reports Server (NTRS)

    Kosovichev, A. G.; Schou, J.; Scherrer, P. H.; Bogart, R. S.; Bush, R. I.; Hoeksema, J. T.; Aloise, J.; Bacon, L.; Burnette, A.; DeForest, C.; Giles, P. M.; Leibrand, K.; Nigam, R.; Rubin, M.; Scott, K.; Williams, S. D.; Basu, Sarbani; Christensen-Dalsgaard J.; Daeppen W.; Duvall, T. L., Jr.

    1997-01-01

    The medium-l program of the Michelson Doppler Imager instrument on board SOHO provides continuous observations of oscillation modes of angular degree, l, from 0 to approximately 300. The data for the program are partly processed on board because only about 3% of MDI observations can be transmitted continuously to the ground. The on-board data processing, the main component of which is Gaussian-weighted binning, has been optimized to reduce the negative influence of spatial aliasing of the high-degree oscillation modes. The data processing is completed in a data analysis pipeline at the SOI Stanford Support Center to determine the mean multiplet frequencies and splitting coefficients. The initial results show that the noise in the medium-l oscillation power spectrum is substantially lower than in ground-based measurements. This enables us to detect lower amplitude modes and, thus, to extend the range of measured mode frequencies. This is important for inferring the Sun's internal structure and rotation. The MDI observations also reveal the asymmetry of oscillation spectral lines. The line asymmetries agree with the theory of mode excitation by acoustic sources localized in the upper convective boundary layer. The sound-speed profile inferred from the mean frequencies gives evidence for a sharp variation at the edge of the energy-generating core. The results also confirm the previous finding by the GONG (Gough et al., 1996) that, in a thin layer just beneath the convection zone, helium appears to be less abundant than predicted by theory. Inverting the multiplet frequency splittings from MDI, we detect significant rotational shear in this thin layer. This layer is likely to be the place where the solar dynamo operates. In order to understand how the Sun works, it is extremely important to observe the evolution of this transition layer throughout the 11-year activity cycle.

  2. Ion drag as a mechanism of plasma dust structure rotation in a strata in a magnetic field

    NASA Astrophysics Data System (ADS)

    Dzlieva, E. S.; Karasev, V. Yu.; Mashek, I. Ch.; Pavlov, S. I.

    2016-06-01

    In experiments on complex plasmas, afixed strata region in which the levitation of dust structures is observed is investigated using the method of probing by calibrated dust particles of different sizes in an applied magnetic field under elevated pressures. The measured azimuthal velocity of the probing particles corresponds to the action of the ion drag force for 4 μm-size particles and to the entrainment by the rotating gas owing to the electron vortex flow inside the strata for 1 μm-size particles. Extrapolation to pressures and magnetic fields in which the rotation inversion of dust structures is observed in experiments shows that the ion drag is the dominating force causing rotation with a negative projection of the angular velocity onto the magnetic induction.

  3. Spectroscopic study on deuterated benzenes. II. High-resolution laser spectroscopy and rotational structure in the S1 state

    NASA Astrophysics Data System (ADS)

    Kunishige, Sachi; Katori, Toshiharu; Baba, Masaaki; Hayashi, Masato; Hasegawa, Hirokazu; Ohshima, Yasuhiro

    2015-12-01

    High-resolution spectra of the S1←S0 transition in jet-cooled deuterated benzenes were observed using pulse dye amplification of single-mode laser light and mass-selective resonance enhanced multiphoton ionization (REMPI) detection. The vibrational and rotational structures were accurately analyzed for the vibronic levels in the S1 state. The degenerate 61 levels of C6H6 or C6D6 are split into 6a1 and 6b1 in many of deuterated benzenes. The rigid-rotor rotational constants were assessed and found to be slightly different between 6a and 6b because of different mean molecular structures. Their rotational levels are significantly shifted by Coriolis interactions. It was found that the Coriolis parameter proportionally changed with the number of substituted D atoms.

  4. Spectroscopic study on deuterated benzenes. II. High-resolution laser spectroscopy and rotational structure in the S(1) state.

    PubMed

    Kunishige, Sachi; Katori, Toshiharu; Baba, Masaaki; Hayashi, Masato; Hasegawa, Hirokazu; Ohshima, Yasuhiro

    2015-12-28

    High-resolution spectra of the S1←S0 transition in jet-cooled deuterated benzenes were observed using pulse dye amplification of single-mode laser light and mass-selective resonance enhanced multiphoton ionization (REMPI) detection. The vibrational and rotational structures were accurately analyzed for the vibronic levels in the S1 state. The degenerate 6(1) levels of C6H6 or C6D6 are split into 6a(1) and 6b(1) in many of deuterated benzenes. The rigid-rotor rotational constants were assessed and found to be slightly different between 6a and 6b because of different mean molecular structures. Their rotational levels are significantly shifted by Coriolis interactions. It was found that the Coriolis parameter proportionally changed with the number of substituted D atoms. PMID:26723667

  5. Structured caustic vector vortex optical field: manipulating optical angular momentum flux and polarization rotation

    PubMed Central

    Chen, Rui-Pin; Chen, Zhaozhong; Chew, Khian-Hooi; Li, Pei-Gang; Yu, Zhongliang; Ding, Jianping; He, Sailing

    2015-01-01

    A caustic vector vortex optical field is experimentally generated and demonstrated by a caustic-based approach. The desired caustic with arbitrary acceleration trajectories, as well as the structured states of polarization (SoP) and vortex orders located in different positions in the field cross-section, is generated by imposing the corresponding spatial phase function in a vector vortex optical field. Our study reveals that different spin and orbital angular momentum flux distributions (including opposite directions) in different positions in the cross-section of a caustic vector vortex optical field can be dynamically managed during propagation by intentionally choosing the initial polarization and vortex topological charges, as a result of the modulation of the caustic phase. We find that the SoP in the field cross-section rotates during propagation due to the existence of the vortex. The unique structured feature of the caustic vector vortex optical field opens the possibility of multi-manipulation of optical angular momentum fluxes and SoP, leading to more complex manipulation of the optical field scenarios. Thus this approach further expands the functionality of an optical system. PMID:26024434

  6. Hydrodynamic structure of the boundary layers in a rotating cylindrical cavity with radial inflow

    NASA Astrophysics Data System (ADS)

    Herrmann-Priesnitz, Benjamín; Calderón-Muñoz, Williams R.; Salas, Eduardo A.; Vargas-Uscategui, Alejandro; Duarte-Mermoud, Manuel A.; Torres, Diego A.

    2016-03-01

    A flow model is formulated to investigate the hydrodynamic structure of the boundary layers of incompressible fluid in a rotating cylindrical cavity with steady radial inflow. The model considers mass and momentum transfer coupled between boundary layers and an inviscid core region. Dimensionless equations of motion are solved using integral methods and a space-marching technique. As the fluid moves radially inward, entraining boundary layers develop which can either meet or become non-entraining. Pressure and wall shear stress distributions, as well as velocity profiles predicted by the model, are compared to numerical simulations using the software OpenFOAM. Hydrodynamic structure of the boundary layers is governed by a Reynolds number, Re, a Rossby number, Ro, and the dimensionless radial velocity component at the periphery of the cavity, Uo. Results show that boundary layers merge for Re < < 10 and Ro > > 0.1, and boundary layers become predominantly non-entraining for low Ro, low Re, and high Uo. Results may contribute to improve the design of technology, such as heat exchange devices, and turbomachinery.

  7. Interpretation of the Structure Function of Rotation Measure in the Interstellar Medium

    NASA Astrophysics Data System (ADS)

    Xu, Siyao; Zhang, Bing

    2016-06-01

    The observed structure function (SF) of rotation measure (RM) varies as a broken power-law function of angular scales. The systematic shallowness of its spectral slope is inconsistent with the standard Kolmogorov scaling. This motivates us to examine the statistical analysis on RM fluctuations. The correlations of RM constructed by Lazarian & Pogosyan are demonstrated to be adequate in explaining the observed features of RM SFs through a direct comparison between the theoretically obtained and observationally measured SF results. By segregating the density and magnetic field fluctuations and adopting arbitrary indices for their respective power spectra, we find that when the SFs of RM and emission measure have a similar form over the same range of angular scales, the statistics of the RM fluctuations reflect the properties of density fluctuations. RM SFs can be used to evaluate the mean magnetic field along the line of sight, but cannot serve as an informative source on the properties of turbulent magnetic field in the interstellar medium. We identify the spectral break of RM SFs as the inner scale of a shallow spectrum of electron density fluctuations, which characterizes the typical size of discrete electron density structures in the observed region.

  8. Silicon Oxysulfide, OSiS: Rotational Spectrum, Quantum-Chemical Calculations, and Equilibrium Structure.

    PubMed

    Thorwirth, Sven; Mück, Leonie Anna; Gauss, Jürgen; Tamassia, Filippo; Lattanzi, Valerio; McCarthy, Michael C

    2011-06-01

    Silicon oxysulfide, OSiS, and seven of its minor isotopic species have been characterized for the first time in the gas phase at high spectral resolution by means of Fourier transform microwave spectroscopy. The equilibrium structure of OSiS has been determined from the experimental data using calculated vibration-rotation interaction constants. The structural parameters (rO-Si = 1.5064 Å and rSi-S = 1.9133 Å) are in very good agreement with values from high-level quantum chemical calculations using coupled-cluster techniques together with sophisticated additivity and extrapolation schemes. The bond distances in OSiS are very short in comparison with those in SiO and SiS. This unexpected finding is explained by the partial charges calculated for OSiS via a natural population analysis. The results suggest that electrostatic effects rather than multiple bonding are the key factors in determining bonding in this triatomic molecule. The data presented provide the spectroscopic information needed for radio astronomical searches for OSiS. PMID:26295414

  9. The Missing Link: Rotational Spectrum and Geometrical Structure of Disilicon Carbide, Si_2C

    NASA Astrophysics Data System (ADS)

    McCarthy, Michael C.; Baraban, Joshua H.; Changala, Bryan; Stanton, John F.; Martin-Drumel, Marie-Aline; Thorwirth, Sven; Reilly, Neil J.; Gottlieb, Carl A.

    2015-06-01

    Disilicon carbide Si_2C is one of the most fascinating small molecules for both fundamental and applied reasons. Like C_3, it has a shallow bending angle, and may therefore also serve as a classic example of a quasilinear species. Si_2C is also thought to be quite stable. Mass spectrometric studies conclude that it is one of the most common gas-phase fragments in the evaporation of silicon carbide at high temperature. For these same reasons, it may be abundant in certain evolved carbon stars such as IRC+12016. Its electronic spectrum was recently studied by several of us, but its ground state geometry and rotational spectrum remain unknown until now. Using sensitive microwave techniques and high-level coupled cluster calculations, Si_2C has been detected in the radio band, and is found to be highly abundant. Its more common rare isotopic species have also be observed either in natural abundance or using isotopically-enriched samples, from which a highly precise semi-experimental structure has been derived. This talk will summarize recent work, and discuss the prospects for astronomical detection. Now that all four of the Si_mC_n clusters with m+n=3 has been detected experimentally, a rigorous comparison of their structure and chemical bonding can be made.

  10. Structured Overlapping Grid Simulations of Contra-rotating Open Rotor Noise

    NASA Technical Reports Server (NTRS)

    Housman, Jeffrey A.; Kiris, Cetin C.

    2015-01-01

    Computational simulations using structured overlapping grids with the Launch Ascent and Vehicle Aerodynamics (LAVA) solver framework are presented for predicting tonal noise generated by a contra-rotating open rotor (CROR) propulsion system. A coupled Computational Fluid Dynamics (CFD) and Computational AeroAcoustics (CAA) numerical approach is applied. Three-dimensional time-accurate hybrid Reynolds Averaged Navier-Stokes/Large Eddy Simulation (RANS/LES) CFD simulations are performed in the inertial frame, including dynamic moving grids, using a higher-order accurate finite difference discretization on structured overlapping grids. A higher-order accurate free-stream preserving metric discretization with discrete enforcement of the Geometric Conservation Law (GCL) on moving curvilinear grids is used to create an accurate, efficient, and stable numerical scheme. The aeroacoustic analysis is based on a permeable surface Ffowcs Williams-Hawkings (FW-H) approach, evaluated in the frequency domain. A time-step sensitivity study was performed using only the forward row of blades to determine an adequate time-step. The numerical approach is validated against existing wind tunnel measurements.

  11. Insights into How Cyclic Peptides Switch Conformations.

    PubMed

    McHugh, Sean M; Rogers, Julia R; Yu, Hongtao; Lin, Yu-Shan

    2016-05-10

    Cyclic peptides have recently emerged as promising modulators of protein-protein interactions. However, it is currently highly difficult to predict the structures of cyclic peptides owing to their rugged conformational free energy landscape, which prevents sampling of all thermodynamically relevant conformations. In this article, we first investigate how a relatively flexible cyclic hexapeptide switches conformations. It is found that, although the circular geometry of small cyclic peptides of size 6-8 may require rare, coherent dihedral changes to sample a new conformation, the changes are rather local, involving simultaneous changes of ϕi and ψi or ψi and ϕi+1. The understanding of how these cyclic peptides switch conformations enables the use of metadynamics simulations with reaction coordinates specifically targeting such coupled two-dihedral changes to effectively sample cyclic peptide conformational space. PMID:27031286

  12. Advances in targeting cyclic nucleotide phosphodiesterases

    PubMed Central

    Maurice, Donald H.; Ke, Hengming; Ahmad, Faiyaz; Wang, Yousheng; Chung, Jay; Manganiello, Vincent C.

    2014-01-01

    Cyclic nucleotide phosphodiesterases (PDEs) catalyse the hydrolysis of cyclic AMP and cyclic GMP, thereby regulating the intracellular concentrations of these cyclic nucleotides, their signalling pathways and, consequently, myriad biological responses in health and disease. Currently, a small number of PDE inhibitors are used clinically for treating the pathophysiological dysregulation of cyclic nucleotide signalling in several disorders, including erectile dysfunction, pulmonary hypertension, acute refractory cardiac failure, intermittent claudication and chronic obstructive pulmonary disease. However, pharmaceutical interest in PDEs has been reignited by the increasing understanding of the roles of individual PDEs in regulating the subcellular compartmentalization of specific cyclic nucleotide signalling pathways, by the structure-based design of novel specific inhibitors and by the development of more sophisticated strategies to target individual PDE variants. PMID:24687066

  13. Advances in targeting cyclic nucleotide phosphodiesterases.

    PubMed

    Maurice, Donald H; Ke, Hengming; Ahmad, Faiyaz; Wang, Yousheng; Chung, Jay; Manganiello, Vincent C

    2014-04-01

    Cyclic nucleotide phosphodiesterases (PDEs) catalyse the hydrolysis of cyclic AMP and cyclic GMP, thereby regulating the intracellular concentrations of these cyclic nucleotides, their signalling pathways and, consequently, myriad biological responses in health and disease. Currently, a small number of PDE inhibitors are used clinically for treating the pathophysiological dysregulation of cyclic nucleotide signalling in several disorders, including erectile dysfunction, pulmonary hypertension, acute refractory cardiac failure, intermittent claudication and chronic obstructive pulmonary disease. However, pharmaceutical interest in PDEs has been reignited by the increasing understanding of the roles of individual PDEs in regulating the subcellular compartmentalization of specific cyclic nucleotide signalling pathways, by the structure-based design of novel specific inhibitors and by the development of more sophisticated strategies to target individual PDE variants. PMID:24687066

  14. Structure-from-motion: dissociating perception, neural persistence, and sensory memory of illusory depth and illusory rotation.

    PubMed

    Pastukhov, Alexander; Braun, Jochen

    2013-02-01

    In the structure-from-motion paradigm, physical motion on a screen produces the vivid illusion of an object rotating in depth. Here, we show how to dissociate illusory depth and illusory rotation in a structure-from-motion stimulus using a rotationally asymmetric shape and reversals of physical motion. Reversals of physical motion create a conflict between the original illusory states and the new physical motion: Either illusory depth remains constant and illusory rotation reverses, or illusory rotation stays the same and illusory depth reverses. When physical motion reverses after the interruption in presentation, we find that illusory rotation tends to remain constant for long blank durations (T (blank) ≥ 0.5 s), but illusory depth is stabilized if interruptions are short (T (blank) ≤ 0.1 s). The stability of illusory depth over brief interruptions is consistent with the effect of neural persistence. When this is curtailed using a mask, stability of ambiguous vision (for either illusory depth or illusory rotation) is disrupted. We also examined the selectivity of the neural persistence of illusory depth. We found that it relies on a static representation of an interpolated illusory object, since changes to low-level display properties had little detrimental effect. We discuss our findings with respect to other types of history dependence in multistable displays (sensory stabilization memory, neural fatigue, etc.). Our results suggest that when brief interruptions are used during the presentation of multistable displays, switches in perception are likely to rely on the same neural mechanisms as spontaneous switches, rather than switches due to the initial percept choice at the stimulus onset. PMID:23150214

  15. Solar rotation.

    NASA Astrophysics Data System (ADS)

    Dziembowski, W.

    Sunspot observations made by Johannes Hevelius in 1642 - 1644 are the first ones providing significant information about the solar differential rotation. In modern astronomy the determination of the rotation rate is done in a routine way by measuring positions of various structures on the solar surface as well as by studying the Doppler shifts of spectral lines. In recent years a progress in helioseismology enabled determination of the rotation rate in the layers inaccessible for direct observations. There are still uncertainties concerning, especially, the temporal variations of the rotation rate and its behaviour in the radiative interior. We are far from understanding the observations. Theoretical works have not yet resulted in a satisfactory model for the angular momentum transport in the convective zone.

  16. Internal rotation potential and relaxation of structure in nitrobenzene studied by microwave spectroscopy supported by quantum chemistry

    NASA Astrophysics Data System (ADS)

    Larsen, Niels Wessel

    2010-01-01

    Rotational constants for the vibrational ground state and three torsionally excited states of nine nitrobenzene isotopologues were used to investigate the internal rotation potential and the structure of nitrobenzene. Relaxation parameters were calculated by the B3LYP and MP2(full) methods with the aug-cc-pVDZ and aug-cc-pVTZ basis sets. The four sets of relaxation parameters all led to a clear improvement in the fit to rotational constants as compared with fits without relaxation of structure. The improvement was different from set to set, with B3LYP/aug-cc-PVDZ as a surprising winner. However, letting three of the relaxation parameters vary freely, gave virtually identical results for the molecular structure and potential function in all cases. Assuming higher order potential coefficient to vanish, the resultant potential parameters were, with 1 σ uncertainties, V2 = 1678 ± 19 cm -1 and V4 = -207 ± 6 cm -1. The barrier to internal rotation was estimated to 1575 ± 150 cm -1. A small change in structure upon ortho deuteration was found.

  17. The Effects of Presentation Mode and Colour in Teaching the Visualisation of Rotation in Diagrams of Molecular Structures.

    ERIC Educational Resources Information Center

    Seddon, G. M.; Shubber, K. E.

    1984-01-01

    Investigated use of overhead transparencies containing a sequence of diagrams to represent a three-dimensional structure at different stages during a rotation. Significant learning occurred among 120 Bahraini boys (aged 15-16) when the transparencies contained multi-colored diagrams which were exposed simultaneously or individually in a cumulative…

  18. Cyclic lipopeptide iturin A structure-dependently induces defense response in Arabidopsis plants by activating SA and JA signaling pathways.

    PubMed

    Kawagoe, Yumi; Shiraishi, Soma; Kondo, Hiroko; Yamamoto, Shoko; Aoki, Yoshinao; Suzuki, Shunji

    2015-05-15

    Iturin A is the most well studied antifungal cyclic lipopeptide produced by Bacillus species that are frequently utilized as biological control agents. Iturin A not only shows strong antifungal activity against phytopathogens but also induces defense response in plants, thereby reducing plant disease severity. Here we report the defense signaling pathways triggered by iturin A in Arabidopsis salicylic acid (SA) or jasmonic acid (JA)-insensitive mutants. Iturin A activated the transcription of defense genes PR1 and PDF1.2 through the SA and JA signaling pathways, respectively. The role of iturin A as an elicitor was dependent on the cyclization of the seven amino acids and/or the β-hydroxy fatty acid chain. The iturin A derivative peptide, NH2-(L-Asn)-(D-Tyr)-(D-Asn)-(L-Gln)-(L-Pro)-(D-Asn)-(L-Ser)-COOH, completely suppressed PR1 and PDF1.2 gene expression in wild Arabidopsis plants. The identification of target molecules binding to iturin A and its derivative peptide is expected to shed new light on defense response in plants through the SA and JA signaling pathways. PMID:25842204

  19. Tharsis Binucleus-Type Vortex Structure (TBVS) on Mars: Implications for Differential Rotation of Mars

    NASA Astrophysics Data System (ADS)

    Zeng, Z.; Birnbaum, S.; Zhu, M.; Xie, H.; Liu, L.; Yang, W.

    2006-12-01

    Large, arcuate faults in the Tharsis region of Mars are here interpreted to be a Giant Binucleus-Type Vortex Structure. Centered in Tharsis Montes (247.4°E, 0.9°N) with a radius of ~3500 km, and here named the Tharsis Binucleus-Type Vortex Structure (TBVS), it extends into both the southern and northern hemispheres of Mars. The pattern of the major extensional faults related to the TBVS includes a northern portion and a southern portion and is characterized by a sigmoid structure. In the northern portion adjacent to the Alba Patera summit cone (Tantalus Fossae), extensional faults trend northeast or north-east-north while faults found south of Alba Patera (Ceraunius Fossae) trend north-south. The extensional faults sited south to southwest of Tharsis Montes mainly trend to the southwest. As a typical feature the faults located south-east-south of Tharsis Montes (Claritas Fossae) show an obvious curved shape: the northern part trends northwest and north- west-north while the southern part trends north-east-north and northeast. Turbine-like extensional faults around Tharsis Montes are distinguished. Five examples of binucleus-type vortex structures on Earth were found and researched by Zuoxun Zeng and Lilin Liu (1990, 1992 and 1993). The TBVS is similar to the Yegezikala binucleus-type vortex structure (Zuoxun Zeng, 1990) in terms of the nuclear column: two cores linking together as one magma body. Physical modeling and numerical modeling using finite-element analysis indicate that the formation of the TBVS is related to torsional shear around the center of Tharsis Montes. The torsional shear is possibly a result of the twist of the Martian crust about its axis due to differential rotation between the two hemispheres. The earlier twist of the Martian crust controlled the northeast-trending fractures, magma bodies and volcano chains. The cooled and fixed northeast-trending magma bodies in the Tharsis area played the role of nuclear columns during the formation of

  20. Plant Cyclic Nucleotide Signalling

    PubMed Central

    Martinez-Atienza, Juliana; Van Ingelgem, Carl; Roef, Luc

    2007-01-01

    The presence of the cyclic nucleotides 3′,5′-cyclic adenyl monophosphate (cAMP) and 3′,5′-cyclic guanyl monophosphate (cGMP) in plants is now generally accepted. In addition, cAMP and cGMP have been implicated in the regulation of important plant processes such as stomatal functioning, monovalent and divalent cation fluxes, chloroplast development, gibberellic acid signalling, pathogen response and gene transcription. However, very little is known regarding the components of cyclic nucleotide signalling in plants. In this addendum, the evidence for specific mechanisms of plant cyclic nucleotide signalling is evaluated and discussed. PMID:19704553

  1. Rotational spectroscopy of pyridazine and its isotopologs from 235-360 GHz: equilibrium structure and vibrational satellites.

    PubMed

    Esselman, Brian J; Amberger, Brent K; Shutter, Joshua D; Daane, Mitchell A; Stanton, John F; Woods, R Claude; McMahon, Robert J

    2013-12-14

    The rotational spectrum of pyridazine (o-C4H4N2), the ortho disubstituted nitrogen analog of benzene, has been measured and analyzed in the gas phase. For the ground vibrational state of the normal isotopolog, over 2000 individual rotational transitions have been identified between 238 and 360 GHz and have been fit to 13 parameters of a 6th-order centrifugal distortion Hamiltonian. All transitions in this frequency region can now be predicted from this model to near experimental accuracy, i.e., well enough for the purpose of any future radio-astronomical search for this species. Three isotopologs, [3-(13)C]-C4H4N2, [4-(13)C]-C4H4N2, and [1-(15)N]-C4H4N2, have been detected in natural abundance, and several hundred lines have been measured for each of these species and fit to 6th-order Hamiltonians. Ten additional isotopologs were synthesized with enhanced deuterium substitution and analyzed to allow for a complete structure determination. The equilibrium structure (Re) of pyridazine was obtained by correcting the experimental rotational constants for the effects of vibration-rotation coupling using interaction constants predicted from CCSD(T) calculations with an ANO0 basis set and further correcting for the effect of electron mass. The final Re structural parameters are determined with excellent accuracy, as evidenced by their ability to predict 28 independent moments of inertia (Ia and Ib for 14 isotopologs) very well from 9 structural parameters. The rotational spectra of the six lowest-energy fundamental vibrational satellites of the main isotopolog have been detected. The rotational spectra of the five lowest-energy vibrational satellites have been assigned and fit to yield accurate rotational and distortion constants, while the fit and assignment for the sixth is less complete. The resultant vibration-rotation interaction (α) constants are found to be in excellent agreement with ones predicted from coupled-cluster calculations, which proved to be the key

  2. The Iodine Hvperfine Structure in the Microwave Spectrum of Ethyl Iodide: Nuclear Quadrupole and Spin Rotation Coupling

    NASA Astrophysics Data System (ADS)

    Lee, W. W.; Scherr, Lawrence M.; Barsh, Max K.

    1988-11-01

    Some rotational transitions of ethyl iodide, CH3CH2I, have been reinvestigated by microwave Fourier transform (MWFT) spectroscopy. The iodine hyperfine structure splittings were first ana lyzed using a direct diagonalization procedure of the complete quadrupole Hamiltonian matrix. The results of this analysis showed deviations from our measurements up to 60 kHz. A new analysis using additional spin rotation coupling matrix elements reproduces our measurements within the experi­mental error limit and decreases the standard deviation of the least squares fit from 28 kHz to only 4 kHz.

  3. Dynamic characterization, monitoring and control of rotating flexible beam-mass structures via piezo-embedded techniques

    NASA Technical Reports Server (NTRS)

    Lai, Steven H.-Y.

    1992-01-01

    A variational principle and a finite element discretization technique were used to derive the dynamic equations for a high speed rotating flexible beam-mass system embedded with piezo-electric materials. The dynamic equation thus obtained allows the development of finite element models which accommodate both the original structural element and the piezoelectric element. The solutions of finite element models provide system dynamics needed to design a sensing system. The characterization of gyroscopic effect and damping capacity of smart rotating devices are addressed. Several simulation examples are presented to validate the analytical solution.

  4. Rotational spectroscopy of pyridazine and its isotopologs from 235–360 GHz: Equilibrium structure and vibrational satellites

    SciTech Connect

    Esselman, Brian J.; Amberger, Brent K.; Shutter, Joshua D.; Daane, Mitchell A.; Woods, R. Claude; McMahon, Robert J.; Stanton, John F.

    2013-12-14

    The rotational spectrum of pyridazine (o-C{sub 4}H{sub 4}N{sub 2}), the ortho disubstituted nitrogen analog of benzene, has been measured and analyzed in the gas phase. For the ground vibrational state of the normal isotopolog, over 2000 individual rotational transitions have been identified between 238 and 360 GHz and have been fit to 13 parameters of a 6th-order centrifugal distortion Hamiltonian. All transitions in this frequency region can now be predicted from this model to near experimental accuracy, i.e., well enough for the purpose of any future radio-astronomical search for this species. Three isotopologs, [3-{sup 13}C]-C{sub 4}H{sub 4}N{sub 2}, [4-{sup 13}C]-C{sub 4}H{sub 4}N{sub 2}, and [1-{sup 15}N]-C{sub 4}H{sub 4}N{sub 2}, have been detected in natural abundance, and several hundred lines have been measured for each of these species and fit to 6th-order Hamiltonians. Ten additional isotopologs were synthesized with enhanced deuterium substitution and analyzed to allow for a complete structure determination. The equilibrium structure (R{sub e}) of pyridazine was obtained by correcting the experimental rotational constants for the effects of vibration-rotation coupling using interaction constants predicted from CCSD(T) calculations with an ANO0 basis set and further correcting for the effect of electron mass. The final R{sub e} structural parameters are determined with excellent accuracy, as evidenced by their ability to predict 28 independent moments of inertia (I{sub a} and I{sub b} for 14 isotopologs) very well from 9 structural parameters. The rotational spectra of the six lowest-energy fundamental vibrational satellites of the main isotopolog have been detected. The rotational spectra of the five lowest-energy vibrational satellites have been assigned and fit to yield accurate rotational and distortion constants, while the fit and assignment for the sixth is less complete. The resultant vibration-rotation interaction (α) constants are found to

  5. Structural and cyclic volta metric investigations on BIPBVOX solid electrolyte synthesized by ethylene glycol-citric acid sol-gel route

    NASA Astrophysics Data System (ADS)

    Naqvi, Faria K.; Beg, Saba; Al-Areqi, Niyazi A. S.

    2016-05-01

    Samples of BIPBVOX.x (Bi2V1-xPbxO5.5-x/2) in the composition range 0.05 ≤ x ≤ 0.20 were prepared by ethylene glycol- citric acid sol-gel synthesis route. Structural investigations were carried out by X-ray diffraction, DTA. The highly conducting γ'- phase was effectively stabilized at room temperature for compositions with x ≥ 0.17. Cyclic voltammetric measurements showed reversible redox reactions of vanadium and irreversible redox reaction of Bi3+ in the BIPBVOX system during the first cathodic and anodic sweep. However, a higher stability against the reduction of Bi3+ to metallic bismuth was seen for x=0.20.

  6. Method and structure for skewed block-cyclic distribution of lower-dimensional data arrays in higher-dimensional processor grids

    DOEpatents

    Chatterjee, Siddhartha; Gunnels, John A.

    2011-11-08

    A method and structure of distributing elements of an array of data in a computer memory to a specific processor of a multi-dimensional mesh of parallel processors includes designating a distribution of elements of at least a portion of the array to be executed by specific processors in the multi-dimensional mesh of parallel processors. The pattern of the designating includes a cyclical repetitive pattern of the parallel processor mesh, as modified to have a skew in at least one dimension so that both a row of data in the array and a column of data in the array map to respective contiguous groupings of the processors such that a dimension of the contiguous groupings is greater than one.

  7. a Three-Dimensional FLUID-STRUCTURE Coupled Analysis of Rotating Flexible Assemblies of Turbomachines

    NASA Astrophysics Data System (ADS)

    Jacquet-Richardet, G.; Rieutord, P.

    1998-01-01

    Numerous experimental and numerical studies have shown that the stability of rotors is strongly influenced by fluid elements. When considering elements such as journal bearings or seals, the classical rotordynamic approach has been widely used and validated. On the other hand, the rigid wheel assumption seems questionable when considering elements such as fluid leakage at blade tip or secondary flow passages of shrouded impellers. In this paper, a coupling technique between a fluid and a fully three-dimensional rotating flexible wheel shaft assembly is presented. This coupling technique considers alternatively the governing equations of fluid and structure and is based on an interfacing grid concept associated with a modal representation of the coupled system. A first simple application is used for illustrating and validating the proposed method. Computed results are compared to results given by a classical rotordynamic approach. Then the method is applied to a test flexible wheel-shaft-bearing assembly. Various configurations are studied and the influence of wheel flexibility on the overall behaviour is illustrated in all cases.

  8. Direct inelastic scattering of nitric oxide from clean Ag(111): Rotational and fine structure distributions

    NASA Astrophysics Data System (ADS)

    Kubiak, G. D.; Hurst, J. E., Jr.; Rennagel, H. G.; McClelland, G. M.; Zare, R. N.

    1983-11-01

    The internal state distribution of scattered NO is determined by laser fluorescence excitation spectroscopy when a pulsed, supersonically cooled beam of NO is incident upon the (111) face of a clean Ag single crystal. It is found that the mean rotational energy depends linearly on the surface temperature Es(=Ts) and the incident kinetic energy normal to the surface En according to =a(En+)+bEs. The three parameters a, b, and are constants independent of En and Es. Arguments are presented showing that is some measure of the average NO/Ag(111) well depth. For the Ω=1/2 fine structure component we estimate that =2850±450 K (245±40 meV), a=0.88±0.009, and b=0.18±0.04 while for Ω=3/2, =2080±150 K (180±13 meV), a=0.132±0.005, and b=0.11±0.02. The results are compared to the predictions of one-dimensional impulsive models of gas-surface scattering. These models are able to describe qualitatively the dependence of on En and Es but only when trapping fractions that are incompatible with experiment are predicted simultaneously.

  9. CMOS-compatible polarization rotator design based on asymmetrical periodic loaded waveguide structure

    NASA Astrophysics Data System (ADS)

    Sun, Yao; Ye, Winnie N.

    2016-03-01

    Silicon-on-insulator (SOI) technology has been a promising platform for photonic applications. However, the high index-contrast between silicon and the top cladding (SiO2 or air) of the SOI waveguides makes the modal birefringence hard to control. Consequently, SOI based photonics integrated circuits (PICs) are in general highly polarization-sensitive, making polarization management important. In this paper, a polarization rotator (PR) design on the 220 nm SOI platform is demonstrated through numerical simulations and experiments. The demonstrated PR design is based on asymmetrical periodic loaded waveguide structures. The demonstrated design features compact device footprint and can be fabricated by CMOS compatible process. In addition, no special cladding is required to break the vertical symmetry of the waveguide. The design has shown promising performance over the C-band wavelengths (1530 nm-1565 nm) by simulations. However, the fabrication requirements are stringent for the design, thus the performance of the fabricated devices are limited by the current fabrication technology.

  10. Structure and Rotational Dynamics of Isoamyl Acetate and Methyl Propionate Studied by Microwave Spectroscopy

    NASA Astrophysics Data System (ADS)

    Stahl, W.; Nguyen, H. V. L.; Sutikdja, L. W.; Jelisavac, D.; Mouhib, H.; Kleiner, I.

    2012-06-01

    The microwave spectra of a number of organic aliphatic esters have been recorded for the first time in the 3-26.5 GHz frequency range, using the molecular beam Fourier-transform microwave (MB-FTMW) spectrometer in Aachen, with an instrumental uncertainty of a few kHz for unblended lines. The combined use of ab initio quantum chemical calculations and spectral analysis allowed us to determine the spectroscopic parameters and potential barriers to internal rotation of the methyl groups for the lowest energy conformers. We will compare here the results from ab initio calculations and from two different hamiltonian methods (the XIAM and BELGI codes) for isoamyl acetate H3C-COO-(CH2)2-CH(CH3)2, an one-top internal rotor molecule with a C1 symmetry and for methyl propionate CH3CH2COOCH3 containing two inequivalent methyl tops (C3v), with different barrier heights. This study is part of a larger project which aims at determining the structures of the lowest energy conformers for a serie of organic esters and ketones which are of interest for flavour or perfume applications.

  11. Electronic Structure of Hydrogen Donors in Semiconductors and Insulators Probed by Muon Spin Rotation

    NASA Astrophysics Data System (ADS)

    Shimomura, Koichiro; Ito, Takashi U.

    2016-09-01

    Hydrogen in semiconductors and insulators plays a crucial role in their electric conductivity. Substantial experimental and theoretical efforts have been made to establish this hypothesis in the last decade, and the muon spin rotation technique has played a pioneering role. Positive muons implanted into such low-carrier systems often form a muonium (an analogue of hydrogen, the bound state of a positive muon and an electron). Although its dynamical aspect may be different from the heavier hydrogen, the electronic structure of the muonium is expected to be identical to that of hydrogen after a small correction of the reduced mass (˜0.4%). Since the discovery of a shallow muonium in CdS, its properties have been intensively studied in many semiconductors and insulators, and then it was interpreted as a possible origin of n-type conductivity under the context of a classical shallow donor model. In this article, we will describe the principle of muonium experiments and survey recent achievements in this field.

  12. 3D Structure and Internal Circulation of Pancake Vortices in Rotating Stratified Flows

    NASA Astrophysics Data System (ADS)

    Hassanzadeh, Pedram; Marcus, Philip; Aubert, Oriane; Le Bars, Michael; Le Gal, Patrice

    2011-11-01

    Jovian vortices, Atlantic meddies, and vortices of the protoplanetrary disks are examples of weakly-forced or unforced long-lived vortices in rotating stratified flows. Knowing the 3D structure and internal circulation of these vortices is essential in understanding their physics, which is not well-understood. For example, the aspect ratio of these vortices has been long thought to be f / N where f is the Coriolis parameter and N is the Brunt-Vaisala frequency. However, our recent theoretical and experimental study has shown that the aspect ratio in fact depends not only on f and N but also on the Rossby number and density mixing inside the vortex. The new scaling law also agrees with the available measurements of the meddies and Jupiter's Great Red Spot. High resolution 3D numerical simulations of the Navier-Stokes equation are carried out to confirm this new scaling law for a slowly (viscously) decaying anticyclonic vortex in which the Rossby number and stratification inside the vortex evolve in time. For a wide range of parameters and different distributions of density anomaly, the secondary circulations within the vortices are studied. The effect of a non-uniform background stratification is investigated, and the small cyclonic vortices that form above and below the anticyclone are studied.

  13. Convective Structure and Tectonic Setting for Synchronously Rotating Super-Earth Exoplanets

    NASA Astrophysics Data System (ADS)

    van Summeren, J.; Conrad, C. P.; Gaidos, E.

    2010-12-01

    We investigated mantle convective structures and tectonic settings for synchronously rotating exoplanets on close-in orbits around their parent stars. Our study is motivated by the possibility that extreme variations in surface temperature affect these planets' interior dynamics and related surface expressions. Exoplanets on orbits ≤0.1 astronomical units are expected to be tidally-locked to their parent star and this can induce strong (>1000K) temperature differences between the planet's permanent day and night sides, in the absence of a significant atmosphere. To examine the influence of such extreme conditions on planetary mantle convection and tectonics, we performed a series of numerical simulations of an incompressible fluid at infinite Prandtl number with imposed asymmetric surface temperature conditions. Plate-like behavior is approximated in our models by applying a temperature-dependent viscous/pseudo-plastic rheology. To investigate a diversity of possible exoplanets, we studied a range of surface temperature contrasts, Rayleigh numbers, and internal heating rates. Our preliminary modeling results show that an imposed asymmetric surface temperature distribution promotes mantle-wide asymmetries in convective overturn. On the permanent night-side, a large-scale downwelling develops below an immobile thick crust. Towards the permanent day-side, the crust thins and this allows for greater lithospheric mobility. Such planet-wide variations in tectonic settings could be expressed in the planet's geology, habitability, volcanic activity, atmospheric outgassing, and climate, some of which have the potential to be astronomically discoverable in the future.

  14. EC-GMR array with rotating current excitation for multilayered riveted structures inspection

    NASA Astrophysics Data System (ADS)

    Dib, Gerges; Yang, Guang; Ye, Chaofeng; Tamburrino, Antonello; Udpa, Lalita; Udpa, Satish S.

    2015-03-01

    The challenge in detecting crack under fastener heads (CUF) in a multi-layered aircraft structure poses the need for advanced NDE technology. Our previous work has presented the feasibility of eddy current (EC) technology using giant magnetoresistive (GMR) sensors in detecting 2nd layer hidden cracks in layered aircraft components. An EC-GMR inspection system has been developed to directly measure the normal component of magnetic flux density associated with eddy currents induced inside the specimen. However, a major limitation of current sensor system is in detecting cracks that are parallel to the direction of induced currents. This paper presents a new design using orthogonal excitation coils for generating a rotating uniform current, which provides uniform sensitivity to cracks emanating in all orientations around fastener sites. The design and inspection using the orthogonal coil probe and GMR sensor is presented using a simulation model. Several candidate designs for the orthogonal coil configuration will be presented using the simulation model. The detection of cracks in all radial directions around aluminum and steel fasteners are validated numerically and experimentally.

  15. Rotation, translation, charge transfer, and electronic structure of C60 on Cu(111) surface

    NASA Astrophysics Data System (ADS)

    Wang, Lin-Lin; Cheng, Hai-Ping

    2004-01-01

    The energetics and electronic structure of a C60 monolayer on Cu(111) surfaces have been investigated thoroughly via large-scale first-principles density functional theory. The calculated adsorption site and orientation of the molecule, and the work function are in excellent agreement with experimental observations. We find that the translational motion of C60 across Cu-Cu bonds can be barrierless, while a 360°, on-site rotational motion is subject to a barrier of 0.3 eV. A close to 0.8e- charge transfer per molecule from the surface to the C60 monolayer is determined, which provides important insights into a number of experimental measurements. Our analysis also indicates that the transferred electrons are localized in a plane between the molecule and surface, and that the bands near the Fermi level are highly hybrid between the surface and the molecule, reflecting a strong metal-fullerene coupling. Furthermore, an analysis of the dipole moment clarifies the puzzling phenomenon regarding the work function.

  16. Transverse structural trends along the Oregon convergent margin: Implications for Cascadia earthquake potential and crustal rotations

    SciTech Connect

    Goldfinger, C.; Kulm, L.D.; Yeats, R.S. ); Applegate, B.; MacKay, M.E.; Moore, G.F. )

    1992-02-01

    A remarkable set of west-northwest-trending left-lateral strike-slip faults intersects the Cascadia subduction zone. Three of these faults have been mapped off northern and central Oregon by using seismic reflection, SeaMARC-1A sidescan sonar, and SeaBeam bathymetry. These faults are highly oblique to the north-south structural grain of the active accretionary wedge. One of them has 6 km of horizontal slip; the average slip rate is 7-10 mm/yr. The faults cut the subducting Juan de Fuca plate, and can be traced into the North American plate. Folds that deform late Pleistocene and Holocene sediments on the upper continental slope and shelf strike north-northwest to west-northwest. Some of the west-northwest-trending folds are associated with the throughgoing strike-slip faults, whereas other northwest-trending folds are approximately normal to the plate convergence direction. Many of these folds are mapped across the shelf, and several active shelf synclines project toward Oregon's coastal bays, where marsh subsidence events are inferred to be the result of great subduction-zone earthquakes. These subsidence events may actually record the growth of local synclines, possibly as secondary effects of slip on the megathrusts. The authors postulate that shortening of the forearc region by clockwise tectonic rotation, associated with movement of the left-lateral faults and folding of the upper plate, may accommodate a significant amount of plate convergence.

  17. Structure of positive parity bands and observation of magnetic rotation in 108Ag

    NASA Astrophysics Data System (ADS)

    Sethi, Jasmine; Palit, R.

    2015-10-01

    The interplay of nuclear forces among the neutron particles (holes) and proton holes (particles) in the odd-odd nuclei gives rise to a variety of shapes and hence novel modes of excitations. The odd-odd nuclei in the A ~ 110 region have proton holes in the g9/2 orbital and the neutron particles in the h11/2 orbitals. A systematic study of shears mechanism in A ~ 110 region indicates the presence of magnetic rotation (MR) phenomenon in Ag and In isotopes. Therefore, the structure of doubly odd 108Ag nucleus was probed in two different reactions, i.e, 100Mo(11B, 4n)108Ag at 39 MeV and 94Zr(18O, p3n)108Ag at 72 MeV beam energies. The emitted γ-rays were detected using the Indian National Gamma Array (INGA) at TIFR, Mumbai. A significant number of new transitions and energy levels were identified. Lifetime measurements, using the Doppler shift attenuation method, have been carried out for a positive parity dipole band. Tilted Axis Cranking (TAC) calculations have been performed for two positive parity dipole bands.

  18. Comparison of algorithms for determination of rotation measure and Faraday structure. I. 1100–1400 MHz

    SciTech Connect

    Sun, X. H.; Akahori, Takuya; Anderson, C. S.; Farnes, J. S.; O’Sullivan, S. P.; Rudnick, L.; O’Brien, T.; Bell, M. R.; Bray, J. D.; Scaife, A. M. M.; Ideguchi, S.; Kumazaki, K.; Stepanov, R.; Stil, J.; Wolleben, M.; Takahashi, K.; Weeren, R. J. van E-mail: larry@umn.edu

    2015-02-01

    Faraday rotation measures (RMs) and more general Faraday structures are key parameters for studying cosmic magnetism and are also sensitive probes of faint ionized thermal gas. A definition of which derived quantities are required for various scientific studies is needed, as well as addressing the challenges in determining Faraday structures. A wide variety of algorithms has been proposed to reconstruct these structures. In preparation for the Polarization Sky Survey of the Universe's Magnetism (POSSUM) to be conducted with the Australian Square Kilometre Array Pathfinder and the ongoing Galactic Arecibo L-band Feeds Array Continuum Transit Survey (GALFACTS), we run a Faraday structure determination data challenge to benchmark the currently available algorithms, including Faraday synthesis (previously called RM synthesis in the literature), wavelet, compressive sampling, and QU-fitting. The input models include sources with one Faraday thin component, two Faraday thin components, and one Faraday thick component. The frequency set is similar to POSSUM/GALFACTS with a 300 MHz bandwidth from 1.1 to 1.4 GHz. We define three figures of merit motivated by the underlying science: (1) an average RM weighted by polarized intensity, RM{sub wtd}, (2) the separation Δϕ of two Faraday components, and (3) the reduced chi-squared χ{sub r}{sup 2}. Based on the current test data with a signal-to-noise ratio of about 32, we find the following. (1) When only one Faraday thin component is present, most methods perform as expected, with occasional failures where two components are incorrectly found. (2) For two Faraday thin components, QU-fitting routines perform the best, with errors close to the theoretical ones for RM{sub wtd} but with significantly higher errors for Δϕ. All other methods, including standard Faraday synthesis, frequently identify only one component when Δϕ is below or near the width of the Faraday point-spread function. (3) No methods as currently implemented

  19. Comparison of Algorithms for Determination of Rotation Measure and Faraday Structure. I. 1100-1400 MHz

    NASA Astrophysics Data System (ADS)

    Sun, X. H.; Rudnick, L.; Akahori, Takuya; Anderson, C. S.; Bell, M. R.; Bray, J. D.; Farnes, J. S.; Ideguchi, S.; Kumazaki, K.; O'Brien, T.; O'Sullivan, S. P.; Scaife, A. M. M.; Stepanov, R.; Stil, J.; Takahashi, K.; van Weeren, R. J.; Wolleben, M.

    2015-02-01

    Faraday rotation measures (RMs) and more general Faraday structures are key parameters for studying cosmic magnetism and are also sensitive probes of faint ionized thermal gas. A definition of which derived quantities are required for various scientific studies is needed, as well as addressing the challenges in determining Faraday structures. A wide variety of algorithms has been proposed to reconstruct these structures. In preparation for the Polarization Sky Survey of the Universe's Magnetism (POSSUM) to be conducted with the Australian Square Kilometre Array Pathfinder and the ongoing Galactic Arecibo L-band Feeds Array Continuum Transit Survey (GALFACTS), we run a Faraday structure determination data challenge to benchmark the currently available algorithms, including Faraday synthesis (previously called RM synthesis in the literature), wavelet, compressive sampling, and QU-fitting. The input models include sources with one Faraday thin component, two Faraday thin components, and one Faraday thick component. The frequency set is similar to POSSUM/GALFACTS with a 300 MHz bandwidth from 1.1 to 1.4 GHz. We define three figures of merit motivated by the underlying science: (1) an average RM weighted by polarized intensity, R{{M}wtd}, (2) the separation Δφ of two Faraday components, and (3) the reduced chi-squared χ r2. Based on the current test data with a signal-to-noise ratio of about 32, we find the following. (1) When only one Faraday thin component is present, most methods perform as expected, with occasional failures where two components are incorrectly found. (2) For two Faraday thin components, QU-fitting routines perform the best, with errors close to the theoretical ones for R{{M}wtd} but with significantly higher errors for Δφ . All other methods, including standard Faraday synthesis, frequently identify only one component when Δφ is below or near the width of the Faraday point-spread function. (3) No methods as currently implemented work well for

  20. The research rotation: competency-based structured and novel approach to research training of internal medicine residents

    PubMed Central

    Kanna, Balavenkatesh; Deng, Changchun; Erickson, Savil N; Valerio, Jose A; Dimitrov, Vihren; Soni, Anita

    2006-01-01

    Background In the United States, the Accreditation Council of graduate medical education (ACGME) requires all accredited Internal medicine residency training programs to facilitate resident scholarly activities. However, clinical experience and medical education still remain the main focus of graduate medical education in many Internal Medicine (IM) residency-training programs. Left to design the structure, process and outcome evaluation of the ACGME research requirement, residency-training programs are faced with numerous barriers. Many residency programs report having been cited by the ACGME residency review committee in IM for lack of scholarly activity by residents. Methods We would like to share our experience at Lincoln Hospital, an affiliate of Weill Medical College Cornell University New York, in designing and implementing a successful structured research curriculum based on ACGME competencies taught during a dedicated "research rotation". Results Since the inception of the research rotation in 2004, participation of our residents among scholarly activities has substantially increased. Our residents increasingly believe and appreciate that research is an integral component of residency training and essential for practice of medicine. Conclusion Internal medicine residents' outlook in research can be significantly improved using a research curriculum offered through a structured and dedicated research rotation. This is exemplified by the improvement noted in resident satisfaction, their participation in scholarly activities and resident research outcomes since the inception of the research rotation in our internal medicine training program. PMID:17044924

  1. Integrating Structured Learning and Scholarly Activities into Clerkship Rotations: A Win–Win for Students and Preceptors

    PubMed Central

    Miller, Stephannie; Fulton, Judith; Mostow, Eliot

    2014-01-01

    Objective: To merge scholarly activity into the curriculum developed for medical students electing a rotation in wound care and/or dermatology. Approach: The authors adapted the unique wound care curriculum developed for medical student rotators and residents to incorporate structured scholarly projects, opportunities for mentorship, and feedback for continued improvement. Results: Benefits have been observed to both students and to the clinic, as reflected by online survey results, increased productivity in the form of posters and manuscripts, and opportunities for professional networking. Discussion: Rotations and clerkships can be transformed from haphazard, bystander observational experiences to active participation that enhances comprehension and retention, while also providing benefits to preceptors. Innovation: Integration between research, education, and clinical activities in a structured way can provide opportunity for enhanced learning experiences and promote the concept of evidence-based practice. Conclusion: With observed benefits to students, researchers, and staff in this clinical setting, other clerkship rotation settings should consider an integrated and structured approach to learning, which includes scholarly activities. Further rigorous program evaluation is necessary to further quantify preliminary positive feedback regarding this approach. PMID:24804160

  2. Integrating Structured Learning and Scholarly Activities into Clerkship Rotations: A Win-Win for Students and Preceptors.

    PubMed

    Miller, Stephannie; Fulton, Judith; Mostow, Eliot

    2014-05-01

    Objective: To merge scholarly activity into the curriculum developed for medical students electing a rotation in wound care and/or dermatology. Approach: The authors adapted the unique wound care curriculum developed for medical student rotators and residents to incorporate structured scholarly projects, opportunities for mentorship, and feedback for continued improvement. Results: Benefits have been observed to both students and to the clinic, as reflected by online survey results, increased productivity in the form of posters and manuscripts, and opportunities for professional networking. Discussion: Rotations and clerkships can be transformed from haphazard, bystander observational experiences to active participation that enhances comprehension and retention, while also providing benefits to preceptors. Innovation: Integration between research, education, and clinical activities in a structured way can provide opportunity for enhanced learning experiences and promote the concept of evidence-based practice. Conclusion: With observed benefits to students, researchers, and staff in this clinical setting, other clerkship rotation settings should consider an integrated and structured approach to learning, which includes scholarly activities. Further rigorous program evaluation is necessary to further quantify preliminary positive feedback regarding this approach. PMID:24804160

  3. Analysis of the forearm rotational efficiency in extant hominoids: new insights into the functional implications of upper limb skeletal structure.

    PubMed

    Ibáñez-Gimeno, Pere; Galtés, Ignasi; Manyosa, Joan; Malgosa, Assumpció; Jordana, Xavier

    2014-11-01

    The greatly diversified locomotor behaviors in the Hominoidea impose different mechanical requirements in the upper limb of each species. As forearm rotation has a major role in locomotion, the skeletal structures involved in this movement may display differences among taxa that reflect functional adaptations. To test this, we use a biomechanical model that quantifies the rotatory capacity of pronator teres (rotational efficiency) from skeletal measurements. Using a large sample of hominoids, we aim to identify the morphological adaptations that confer differences in the mechanics of forearm motion and to assess the functional advantage of these adaptations. Forearm positions along the pronation-supination range where rotational efficiency is maximal depend on the orientation of the humeral medial epicondyle and differ among taxa. Our results indicate that these are related to locomotor mode. Knuckle-walkers exhibit a medial epicondyle more posteriorly directed, which, in elbow angles close to extension, causes rotational efficiency to be maximal in pronated positions of the forearm. Species with a significant amount of arboreal locomotion, such as vertical climbing, i.e., Pongo spp., Pan troglodytes and Gorilla gorilla, display more proximally oriented epicondyles, which, in elbow flexion, leads to maximum rotational efficiencies in supinated positions of the forearm. Hylobatidae, with the less posteriorly and proximally oriented epicondyle, show their maximum rotational efficiencies closer to the forearm neutral position throughout most of the flexion-extension range, which may be linked to brachiation in this taxon. In humans, the epicondylar orientation and thus the positions of the maximum rotational efficiencies fall between arboreal and terrestrial hominoids. This may be related to the enhanced manipulative skills of the upper limb. In conclusion, the current analysis indicates that the orientation of the humeral medial epicondyle is linked to the locomotor

  4. Study on laser communication system based on the structure of rotating paraboloid joining

    NASA Astrophysics Data System (ADS)

    Fu, Qiang; Jiang, Huilin; Zhang, Lizhong; Hu, Yuan; Song, Yansong

    2014-11-01

    With the urgent need for the development of high data rate transmission of information and high-resolution observation techniques, research on high-speed laser communications networking technologies is imminent. This article analyzes the basic requirements of space laser communication links and the technical difficulties and achieve in the network need to be solved. The optical principle of the networking were proposed, studied technical solutions of a laser can be used for communication between multiple targets simultaneously, designed with the rotating parabolic antenna to the base of the optical multi-mirror stitching structure, as well as transmitting and receiving relay optical system with APT system, a new technical approach was provided for the space laser communication link Networking. According to the parabolic features, for the incident light firing at the direction of focus, the reflected light is parallel to the optical axis. But the energy efficiency is low for this type of surfaces, only small portion of the energy can be received. So it is designed to form the multi-mirror mosaic structure with parabolic base. The normal of each mirror is perpendicular to the tangent of the paraboloid. The size, shape, number and the combination way of mirrors are designed and optimized according to the orbit position and number. Each mirror is controlled to perform the movement in the horizontal and azimuth directions, in this way the antenna has certain stability and light deflection. With this antenna, communication can be realized for objects in different orientations at the same time for 360° in horizontal direction and big field of view in azimuth direction.Finally, it prospected the application foreground.

  5. Cyclic ductile and brittle deformation related to coseismic thrust fault propagation: Structural record at the base of a basement nappe (Preveli, Crete)

    NASA Astrophysics Data System (ADS)

    Nüchter, Jens-Alexander; Wassmann, Sara; Stöckhert, Bernhard

    2013-09-01

    structural record at the base of a basement nappe (Preveli nappe, Crete, Greece) thrust upon sedimentary rocks is investigated, aimed on understanding mechanisms which result in decoupling of the thrust sheet from its original substratum. We identify several superimposed deformation stages, each with characteristic structural style and indications of episodic deformation at initially high differential stress. The final stage involves formation of a matrix supported breccia transected by pseudotachylytes, comprising the lowermost 30 m of the nappe. Brecciation and pseudotachylyte formation occurred in a single event, and structures were not modified afterward. Complete induration of breccia and composition of phengite crystallized during devitrification of pseudotachylytes place the sequence of events into the middle crust. We propose a model relating episodic deformation and cyclic stress history to propagation of a thrust fault in a limited number of seismic events. Terminal brecciation and frictional fusion record passage of the fault front beneath the site of observation and decoupling of the thrust sheet. Absence of discernible further deformation is consistent with negligible basal friction during transport as a nappe. Brecciation and pseudotachylyte formation mark the switch from a history of repeated coseismic loading and postseismic stress relaxation in the plastosphere, driven by seismic events on the approaching thrust fault, to passive transport with deformation localized in a weak thrust plane. For a sequence of superimposed ductile to brittle structures, our model provides an alternative to progressive cooling and exhumation concomitant with deformation over millions of years.

  6. Shell-Structure and Pairing Interaction in Superheavy Nuclei: Rotational Properties of the Z=104 Nucleus Rf256

    NASA Astrophysics Data System (ADS)

    Greenlees, P. T.; Rubert, J.; Piot, J.; Gall, B. J. P.; Andersson, L. L.; Asai, M.; Asfari, Z.; Cox, D. M.; Dechery, F.; Dorvaux, O.; Grahn, T.; Hauschild, K.; Henning, G.; Herzan, A.; Herzberg, R.-D.; Heßberger, F. P.; Jakobsson, U.; Jones, P.; Julin, R.; Juutinen, S.; Ketelhut, S.; Khoo, T.-L.; Leino, M.; Ljungvall, J.; Lopez-Martens, A.; Lozeva, R.; Nieminen, P.; Pakarinen, J.; Papadakis, P.; Parr, E.; Peura, P.; Rahkila, P.; Rinta-Antila, S.; Ruotsalainen, P.; Sandzelius, M.; Sarén, J.; Scholey, C.; Seweryniak, D.; Sorri, J.; Sulignano, B.; Theisen, Ch.; Uusitalo, J.; Venhart, M.

    2012-07-01

    The rotational band structure of the Z=104 nucleus Rf256 has been observed up to a tentative spin of 20ℏ using state-of-the-art γ-ray spectroscopic techniques. This represents the first such measurement in a superheavy nucleus whose stability is entirely derived from the shell-correction energy. The observed rotational properties are compared to those of neighboring nuclei and it is shown that the kinematic and dynamic moments of inertia are sensitive to the underlying single-particle shell structure and the specific location of high-j orbitals. The moments of inertia therefore provide a sensitive test of shell structure and pairing in superheavy nuclei which is essential to ensure the validity of contemporary nuclear models in this mass region. The data obtained show that there is no deformed shell gap at Z=104, which is predicted in a number of current self-consistent mean-field models.

  7. Shell-structure and pairing interaction in superheavy nuclei: rotational properties of the z=104 nucleus (256)rf.

    PubMed

    Greenlees, P T; Rubert, J; Piot, J; Gall, B J P; Andersson, L L; Asai, M; Asfari, Z; Cox, D M; Dechery, F; Dorvaux, O; Grahn, T; Hauschild, K; Henning, G; Herzan, A; Herzberg, R-D; Heßberger, F P; Jakobsson, U; Jones, P; Julin, R; Juutinen, S; Ketelhut, S; Khoo, T-L; Leino, M; Ljungvall, J; Lopez-Martens, A; Lozeva, R; Nieminen, P; Pakarinen, J; Papadakis, P; Parr, E; Peura, P; Rahkila, P; Rinta-Antila, S; Ruotsalainen, P; Sandzelius, M; Sarén, J; Scholey, C; Seweryniak, D; Sorri, J; Sulignano, B; Theisen, Ch; Uusitalo, J; Venhart, M

    2012-07-01

    The rotational band structure of the Z=104 nucleus (256)Rf has been observed up to a tentative spin of 20ℏ using state-of-the-art γ-ray spectroscopic techniques. This represents the first such measurement in a superheavy nucleus whose stability is entirely derived from the shell-correction energy. The observed rotational properties are compared to those of neighboring nuclei and it is shown that the kinematic and dynamic moments of inertia are sensitive to the underlying single-particle shell structure and the specific location of high-j orbitals. The moments of inertia therefore provide a sensitive test of shell structure and pairing in superheavy nuclei which is essential to ensure the validity of contemporary nuclear models in this mass region. The data obtained show that there is no deformed shell gap at Z=104, which is predicted in a number of current self-consistent mean-field models. PMID:23031099

  8. Crystal structure of release factor RF3 trapped in the GTP state on a rotated conformation of the ribosome

    SciTech Connect

    Zhou, Jie; Lancaster, Laura; Trakhanov, Sergei; Noller, Harry F.

    2012-03-26

    The class II release factor RF3 is a GTPase related to elongation factor EF-G, which catalyzes release of class I release factors RF1 and RF2 from the ribosome after termination of protein synthesis. The 3.3 {angstrom} crystal structure of the RF3 {center_dot} GDPNP {center_dot} ribosome complex provides a high-resolution description of interactions and structural rearrangements that occur when binding of this translational GTPase induces large-scale rotational movements in the ribosome. RF3 induces a 7{sup o} rotation of the body and 14{sup o} rotation of the head of the 30S ribosomal subunit, and itself undergoes inter- and intradomain conformational rearrangements. We suggest that ordering of critical elements of switch loop I and the P loop, which help to form the GTPase catalytic site, are caused by interactions between the G domain of RF3 and the sarcin-ricin loop of 23S rRNA. The rotational movements in the ribosome induced by RF3, and its distinctly different binding orientation to the sarcin-ricin loop of 23S rRNA, raise interesting implications for the mechanism of action of EF-G in translocation.

  9. The B3 Subunit of the Cone Cyclic Nucleotide-gated Channel Regulates the Light Responses of Cones and Contributes to the Channel Structural Flexibility.

    PubMed

    Ding, Xi-Qin; Thapa, Arjun; Ma, Hongwei; Xu, Jianhua; Elliott, Michael H; Rodgers, Karla K; Smith, Marci L; Wang, Jin-Shan; Pittler, Steven J; Kefalov, Vladimir J

    2016-04-15

    Cone photoreceptor cyclic nucleotide-gated (CNG) channels play a pivotal role in cone phototransduction, which is a process essential for daylight vision, color vision, and visual acuity. Mutations in the cone channel subunits CNGA3 and CNGB3 are associated with human cone diseases, including achromatopsia, cone dystrophies, and early onset macular degeneration. Mutations in CNGB3 alone account for 50% of reported cases of achromatopsia. This work investigated the role of CNGB3 in cone light response and cone channel structural stability. As cones comprise only 2-3% of the total photoreceptor population in the wild-type mouse retina, we used Cngb3(-/-)/Nrl(-/-) mice with CNGB3 deficiency on a cone-dominant background in our study. We found that, in the absence of CNGB3, CNGA3 was able to travel to the outer segments, co-localize with cone opsin, and form tetrameric complexes. Electroretinogram analyses revealed reduced cone light response amplitude/sensitivity and slower response recovery in Cngb3(-/-)/Nrl(-/-) mice compared with Nrl(-/-) mice. Absence of CNGB3 expression altered the adaptation capacity of cones and severely compromised function in bright light. Biochemical analysis demonstrated that CNGA3 channels lacking CNGB3 were more resilient to proteolysis than CNGA3/CNGB3 channels, suggesting a hindered structural flexibility. Thus, CNGB3 regulates cone light response kinetics and the channel structural flexibility. This work advances our understanding of the biochemical and functional role of CNGB3 in cone photoreceptors. PMID:26893377

  10. Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-Monophosphate

    DOE PAGESBeta

    Tian, Yuanyuan; Cui, Wenjun; Huang, Manna; Robinson, Howard; Wan, Yiqian; Wang, Yousheng; Ke, Hengming

    2014-08-05

    Cyclic nucleotide phosphodiesterases (PDEs) decompose second messengers cAMP and cGMP that play critical roles in many physiological processes. PDE1 of Saccharomyces cerevisiae has been subcloned and expressed in Escherichia coli. Recombinant yPDE1 has a KM of 110 μM and a kcat of 16.9 s⁻¹ for cAMP and a KM of 105 μM and a kcat of 11.8 s₅⁻¹ for cGMP. Thus, the specificity constant (kcat/KMcAMP)/(kcat/KMcGMP) of 1.4 indicates a dual specificity of yPDE1 for hydrolysis of both cAMP and cGMP. The crystal structures of unliganded yPDE1 and its complex with GMP at 1.31 Å resolution reveal a new structural foldingmore » that is different from those of human PDEs but is partially similar to that of some other metalloenzymes such as metallo-β-lactamase. In spite of their different structures and divalent metals, yPDE1 and human PDEs may share a common mechanism for hydrolysis of cAMP and cGMP.« less

  11. Cyclic phosphonium ionic liquids

    PubMed Central

    Mukhlall, Joshua A; Romeo, Alicia R; Gohdo, Masao; Ramati, Sharon; Berman, Marc; Suarez, Sophia N

    2014-01-01

    Summary Ionic liquids (ILs) incorporating cyclic phosphonium cations are a novel category of materials. We report here on the synthesis and characterization of four new cyclic phosphonium bis(trifluoromethylsulfonyl)amide ILs with aliphatic and aromatic pendant groups. In addition to the syntheses of these novel materials, we report on a comparison of their properties with their ammonium congeners. These exemplars are slightly less conductive and have slightly smaller self-diffusion coefficients than their cyclic ammonium congeners. PMID:24605146

  12. The Roles of the RIIβ Linker and N-terminal Cyclic Nucleotide-binding Domain in Determining the Unique Structures of the Type IIβ Protein Kinase A

    PubMed Central

    Blumenthal, Donald K.; Copps, Jeffrey; Smith-Nguyen, Eric V.; Zhang, Ping; Heller, William T.; Taylor, Susan S.

    2014-01-01

    Protein kinase A (PKA) is ubiquitously expressed and is responsible for regulating many important cellular functions in response to changes in intracellular cAMP concentrations. The PKA holoenzyme is a tetramer (R2:C2), with a regulatory subunit homodimer (R2) that binds and inhibits two catalytic (C) subunits; binding of cAMP to the regulatory subunit homodimer causes activation of the catalytic subunits. Four different R subunit isoforms exist in mammalian cells, and these confer different structural features, subcellular localization, and biochemical properties upon the PKA holoenzymes they form. The holoenzyme containing RIIβ is structurally unique in that the type IIβ holoenzyme is much more compact than the free RIIβ homodimer. We have used small angle x-ray scattering and small angle neutron scattering to study the solution structure and subunit organization of a holoenzyme containing an RIIβ C-terminal deletion mutant (RIIβ(1–280)), which is missing the C-terminal cAMP-binding domain to better understand the structural organization of the type IIβ holoenzyme and the RIIβ domains that contribute to stabilizing the holoenzyme conformation. Our results demonstrate that compaction of the type IIβ holoenzyme does not require the C-terminal cAMP-binding domain but rather involves large structural rearrangements within the linker and N-terminal cyclic nucleotide-binding domain of the RIIβ homodimer. The structural rearrangements are significantly greater than seen previously with RIIα and are likely to be important in mediating short range and long range interdomain and intersubunit interactions that uniquely regulate the activity of the type IIβ isoform of PKA. PMID:25112875

  13. [Cyclic structural changes in endoplasmic reticulum and Golgi apparatus in the hippocampal neurons of ground squirrels during hibernation].

    PubMed

    Bocharova, L S; Gordon, R Ia; Rogachevskiĭ, V V; Ignat'ev, D A; Khutsian, S S

    2011-01-01

    Repetitive remodeling and renewal of the cytoplasmic structures realizing synthesis of proteins accompanies the cycling of ground squirrels between torpor and arousal states during hibernation season. Earlier we have shown partial loss of ribosomes and nucleolus inactivation in CA3 hippocampal pyramidal neurons in each bout of torpor with rapid and full recovery after warming up. Here we describe reversible structural changes in endoplasmic reticulum (ER) and Golgi complex (G) in these neurons. Transformation of ER from mainly cysternal to tubular form and from mainly granular to smooth type occurs at every entrance in torpor, while the opposite change occurs at arousal. Torpor state is also associated with G fragmentation and loss of its flattened cisternae. Appearance in torpor of the autophagosomal vacuoles containing fragments of membrane structures and ribosomes is a sign of their partial destruction. Granular ER restoration, perhaps through assembly from the multilamellar membrane structures, whorls or bags, begins as early as in the middle of the torpor bout, while G flattened cisternae reappear only at warming. ER and G completely restore their structure 2-3 hours after the provoked arousal. Thus, hibernation represents and example of nerve cell structural adaptation to alterations in functional and metabolic activity through both active destruction and renewal of ribosomes, ER, and G. Perhaps, it is the incomplete ER autophagosomal degradation at torpor provides its rapid renewal at arousal by reassembly from the preserved fragments. PMID:21598689

  14. Structure of the solution of the time-dependent Schrödinger equation, universal existence of the cyclic quantum evolution, and geometric phases

    NASA Astrophysics Data System (ADS)

    Wu, Lian-Ao

    1994-12-01

    It is shown that the cyclic evolution posed by Aharonov and Anandan [Phys. Rev. Lett. 58, 1593 (1987)] universally exists in any quantum system: cyclic evolution occurs for special initial wave functions, whatever the concrete form of the Hamiltonian. The above results are illustrated and some specific geometric phases are given.

  15. Structural dynamics of a methionine γ-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate.

    PubMed

    Cao, Hongnan; Tan, Kemin; Wang, Fengbin; Bigelow, Lance; Yennamalli, Ragothaman M; Jedrzejczak, Robert; Babnigg, Gyorgy; Bingman, Craig A; Joachimiak, Andrzej; Kharel, Madan K; Singh, Shanteri; Thorson, Jon S; Phillips, George N

    2016-05-01

    CalE6 from Micromonospora echinospora is a (pyridoxal 5' phosphate) PLP-dependent methionine γ-lyase involved in the biosynthesis of calicheamicins. We report the crystal structure of a CalE6 2-(N-morpholino)ethanesulfonic acid complex showing ligand-induced rotation of Tyr100, which stacks with PLP, resembling the corresponding tyrosine rotation of true catalytic intermediates of CalE6 homologs. Elastic network modeling and crystallographic ensemble refinement reveal mobility of the N-terminal loop, which involves both tetrameric assembly and PLP binding. Modeling and comparative structural analysis of PLP-dependent enzymes involved in Cys/Met metabolism shine light on the functional implications of the intrinsic dynamic properties of CalE6 in catalysis and holoenzyme maturation. PMID:27191010

  16. Structural dynamics of a methionine γ-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate

    PubMed Central

    Cao, Hongnan; Tan, Kemin; Wang, Fengbin; Bigelow, Lance; Yennamalli, Ragothaman M.; Jedrzejczak, Robert; Babnigg, Gyorgy; Bingman, Craig A.; Joachimiak, Andrzej; Kharel, Madan K.; Singh, Shanteri; Thorson, Jon S.; Phillips, George N.

    2016-01-01

    CalE6 from Micromonospora echinospora is a (pyridoxal 5′ phosphate) PLP-dependent methionine γ-lyase involved in the biosynthesis of calicheamicins. We report the crystal structure of a CalE6 2-(N-morpholino)ethanesulfonic acid complex showing ligand-induced rotation of Tyr100, which stacks with PLP, resembling the corresponding tyrosine rotation of true catalytic intermediates of CalE6 homologs. Elastic network modeling and crystallographic ensemble refinement reveal mobility of the N-terminal loop, which involves both tetrameric assembly and PLP binding. Modeling and comparative structural analysis of PLP-dependent enzymes involved in Cys/Met metabolism shine light on the functional implications of the intrinsic dynamic properties of CalE6 in catalysis and holoenzyme maturation. PMID:27191010

  17. Rotational Spectrum and Structure of the 1,1-Difluoroethylene···Carbon Dioxide Complex.

    PubMed

    Anderton, Ashley M; Peebles, Rebecca A; Peebles, Sean A

    2016-01-21

    Rotational spectra for five isotopologues of the 1:1 weak complex between 1,1-difluoroethylene (H2C═CF2) and carbon dioxide (CO2) have been measured using 480 MHz bandwidth chirped-pulse and resonant cavity Fourier-transform microwave spectroscopy between 5.5 and 18.5 GHz. The observed structure of the complex is planar, with the CO2 aligned roughly parallel to the C═C bond, and experimental structural parameters derived from rotational constants are consistent with the most stable geometry predicted by basis set superposition error and zero point energy corrected ab initio geometry optimizations at the MP2/6-311++G(2d,2p) level. Comparisons with the recently characterized vinyl fluoride···carbon dioxide complex reveal slightly longer intermolecular distances in the present complex, but very similar binding energies. PMID:26745797

  18. Structural Analysis and Direct Imaging of Rotational Stacking Faults in Few-Layer Graphene Synthesized from Solid Botanical Precursor

    NASA Astrophysics Data System (ADS)

    Kalita, Golap; Wakita, Koichi; Umeno, Masayoshi

    2011-07-01

    Here, we report the structural analysis and rotational stacking faults of few-layer graphene sheets derived by the controlled pyrolysis of the solid botanical derivative camphor (C10H16O). The second-order Raman spectra of the sheets show that the graphene layers are more than one single layer, and the numbers of layers can be controlled by adjusting the amount of camphor pyrolyzed. Transmission electron microscopy images show a minimum of 3 layers for thinner graphene sheets and a maximum of 12 layers for thicker graphene sheets. Low-voltage aberration-corrected high-resolution transmission electron microscopy is also carried out to gain insight into the hexagonal structure and stacking of graphene layers. The transmission electron microscopy study showed the presence of moiré patterns with a relative rotation between graphene layers.

  19. Phase behaviors of cyclic diblock copolymers.

    PubMed

    Zhang, Guojie; Fan, Zhongyong; Yang, Yuliang; Qiu, Feng

    2011-11-01

    A spectral method of self-consistent field theory has been applied to AB cyclic block copolymers. Phase behaviors of cyclic diblock copolymers, such as order-disorder transition, order-order transition, and domain spacing size, have been studied, showing good consistency with previous experimental and theoretical results. Compared to linear diblocks, cyclic diblocks are harder to phase separate due to the topological constraint of the ring structure. A direct disorder-to-cylinder transition window is observed in the phase diagram, which is significantly different from the mean field phase diagram of linear diblock copolymers. The domain spacing size ratio between cyclic and linear diblock copolymers is typically close to 0.707, indicating in segregation that the cyclic polymer can be considered to be made up of linear diblocks with half of the original chain length. PMID:22070321

  20. The inner structure of ΛCDM haloes - II. Halo mass profiles and low surface brightness galaxy rotation curves

    NASA Astrophysics Data System (ADS)

    Hayashi, E.; Navarro, J. F.; Power, C.; Jenkins, A.; Frenk, C. S.; White, S. D. M.; Springel, V.; Stadel, J.; Quinn, T. R.

    2004-12-01

    We use a set of high-resolution cosmological N-body simulations to investigate the inner mass profile of galaxy-sized cold dark matter (CDM) haloes. These simulations extend the numerical convergence study presented in Paper I of this series, and demonstrate that the mass profile of CDM galaxy haloes can be robustly estimated beyond a minimum converged radius of order rconv~ 1h-1 kpc in our highest-resolution runs. The density profiles of simulated haloes become progressively shallower from the virial radius inwards, and show no sign of approaching a well-defined power law near the centre. At rconv, the density profile is steeper than expected from the formula proposed by Navarro, Frenk & White, which has a ρ~r-1 cusp, but significantly shallower than the steeply divergent ρ~r-1.5 cusp proposed by Moore et al. We perform a direct comparison of the spherically averaged dark matter circular velocity profiles with Hα rotation curves of a sample of low surface brightness (LSB) galaxies. We find that most galaxies in the sample (about 70 per cent) have rotation curves that are consistent with the structure of CDM haloes. Of the remainder, 20 per cent have rotation curves which cannot be fit by any smooth fitting function with few free parameters, and 10 per cent are inconsistent with CDM haloes. However, the latter consist mostly of rotation curves that do not extend to large enough radii to accurately determine their shapes and maximum velocities. We conclude that the inner structure of CDM haloes is not manifestly inconsistent with the rotation curves of LSB galaxies.

  1. An Analytic Mathematical Model to Explain the Spiral Structure and Rotation Curve of NGC 3198

    NASA Astrophysics Data System (ADS)

    Rout, Bruce; Rout, Cameron

    2016-06-01

    An analytical model of galactic morphology is presented. This model presents resolutions to two inter-related parameters of spiral galaxies: one being the flat velocity rotation profile and the other being the spiral morphology of such galaxies. This model is a mathematical transformation dictated by the general theory of relativity applied to rotating polar coordinate systems that conserve the metric. The model shows that the flat velocity rotation profile and spiral shape of certain galaxies are both products of the general theory. Validation of the model is presented by application to 878 rotation curves provided by Salucci, and by comparing the results of a derived distance modulus to those using Cepheid variables, water masers and Tully-Fisher calculations. The model suggests means of determining galactic linear density, mass and angular momentum. We also show that the morphology of NGC 3198 is congruent to the geodesic as observed within a rotating reference frame and that galaxies are gravitationally viscous and self bound.

  2. The Effects of Differential Rotation on the Magnetic Structure of the Solar Corona: MHD Simulations

    NASA Technical Reports Server (NTRS)

    Lionello, Roberto; Riley, Pete; Linker, Jon A.; Mikic, Zoran

    2004-01-01

    Coronal holes are magnetically open regions from which the solar wind streams. Magnetic reconnection has been invoked to reconcile the apparently rigid rotation of coronal holes with the differential rotation of magnetic flux in the photosphere. This mechanism might also be relevant to the formation of the slow solar wind, the properties of which seem to indicate an origin from the opening of closed magnetic field lines. We have developed a global MHD model to study the effect of differential rotation on the coronal magnetic field. Starting from a magnetic flux distribution similar to that of Wang et al., which consists of a bipolar magnetic region added to a background dipole field, we applied differential rotation over a period of 5 solar rotations. The evolution of the magnetic field and of the boundaries of coronal holes are in substantial agreement with the findings of Wang et al.. We identified examples of interchange reconnection and other changes of topology of the magnetic field. Possible consequences for the origin of the slow solar wind are also discussed.

  3. Structure of the Cyclic Nucleotide-Binding Homology Domain of the hERG Channel and Its Insight into Type 2 Long QT Syndrome.

    PubMed

    Li, Yan; Ng, Hui Qi; Li, Qingxin; Kang, CongBao

    2016-01-01

    The human ether-à-go-go related gene (hERG) channel is crucial for the cardiac action potential by contributing to the fast delayed-rectifier potassium current. Mutations in the hERG channel result in type 2 long QT syndrome (LQT2). The hERG channel contains a cyclic nucleotide-binding homology domain (CNBHD) and this domain is required for the channel gating though molecular interactions with the eag domain. Here we present solution structure of the CNBHD of the hERG channel. The structural study reveals that the CNBHD adopts a similar fold to other KCNH channels. It is self-liganded and it contains a short β-strand that blocks the nucleotide-binding pocket in the β-roll. Folding of LQT2-related mutations in this domain was shown to be affected by point mutation. Mutations in this domain can cause protein aggregation in E. coli cells or induce conformational changes. One mutant-R752W showed obvious chemical shift perturbation compared with the wild-type, but it still binds to the eag domain. The helix region from the N-terminal cap domain of the hERG channel showed unspecific interactions with the CNBHD. PMID:27025590

  4. Structural Basis of Differential Ligand Recognition by Two Classes of bis-(3-5)-cyclic Dimeric Guanosine Monophosphate-binding Riboswitches

    SciTech Connect

    K Smith; C Shanahan; E Moore; A Simon; S Strobel

    2011-12-31

    The bis-(3'-5')-cyclic dimeric guanosine monophosphate (c-di-GMP) signaling pathway regulates biofilm formation, virulence, and other processes in many bacterial species and is critical for their survival. Two classes of c-di-GMP-binding riboswitches have been discovered that bind this second messenger with high affinity and regulate diverse downstream genes, underscoring the importance of RNA receptors in this pathway. We have solved the structure of a c-di-GMP-II riboswitch, which reveals that the ligand is bound as part of a triplex formed with a pseudoknot. The structure also shows that the guanine bases of c-di-GMP are recognized through noncanonical pairings and that the phosphodiester backbone is not contacted by the RNA. Recognition is quite different from that observed in the c-di-GMP-I riboswitch, demonstrating that at least two independent solutions for RNA second messenger binding have evolved. We exploited these differences to design a c-di-GMP analog that selectively binds the c-di-GMP-II aptamer over the c-di-GMP-I RNA. There are several bacterial species that contain both types of riboswitches, and this approach holds promise as an important tool for targeting one riboswitch, and thus one gene, over another in a selective fashion.

  5. Structure of the Cyclic Nucleotide-Binding Homology Domain of the hERG Channel and Its Insight into Type 2 Long QT Syndrome

    PubMed Central

    Li, Yan; Ng, Hui Qi; Li, Qingxin; Kang, CongBao

    2016-01-01

    The human ether-à-go-go related gene (hERG) channel is crucial for the cardiac action potential by contributing to the fast delayed-rectifier potassium current. Mutations in the hERG channel result in type 2 long QT syndrome (LQT2). The hERG channel contains a cyclic nucleotide-binding homology domain (CNBHD) and this domain is required for the channel gating though molecular interactions with the eag domain. Here we present solution structure of the CNBHD of the hERG channel. The structural study reveals that the CNBHD adopts a similar fold to other KCNH channels. It is self-liganded and it contains a short β-strand that blocks the nucleotide-binding pocket in the β-roll. Folding of LQT2-related mutations in this domain was shown to be affected by point mutation. Mutations in this domain can cause protein aggregation in E. coli cells or induce conformational changes. One mutant-R752W showed obvious chemical shift perturbation compared with the wild-type, but it still binds to the eag domain. The helix region from the N-terminal cap domain of the hERG channel showed unspecific interactions with the CNBHD. PMID:27025590

  6. The structure of 4-methylphenol and its water cluster revealed by rotationally resolved UV spectroscopy using a genetic algorithm approach

    NASA Astrophysics Data System (ADS)

    Myszkiewicz, Grzegorz; Meerts, W. Leo; Ratzer, Christian; Schmitt, Michael

    2005-07-01

    The structure of 4-methylphenol (p-cresol) and its binary water cluster have been elucidated by rotationally resolved laser-induced fluorescence spectroscopy. The electronic origins of the monomer and the cluster are split into four sub-bands by the internal rotation of the methyl group and of the hydroxy group in case of the monomer, and the water moiety in case of the cluster. From the rotational constants of the monomer the structure in the S1 state could be determined to be distorted quinoidally. The structure of the p-cresol-water cluster is determined to be trans linear, with a O-O hydrogen bond length of 290pm in the electronic ground state and of 285pm in the electronically excited state. The S1-state lifetime of p-cresol, p-cresol-d1, and the binary water cluster have been determined to be 1.6, 9.7, and 3.8ns, respectively.

  7. Toroidal rotation profile structure in KSTAR L-mode plasmas with mixed heating by NBI and ECH

    NASA Astrophysics Data System (ADS)

    Shi, Y. J.; Ko, S. H.; Kwon, J. M.; Ko, W. H.; Diamond, P. H.; Yi, S.; Ida, K.; Lee, K. D.; Jeong, J. H.; Seo, S. H.; Hahn, S. H.; Yoon, S. W.; Bae, Y. S.; Terzolo, L.; Yun, G. S.; Bitter, M.; Hill, K.

    2016-01-01

    The structure of the toroidal rotation profile with mixed heating by neutral beam injection (NBI) and electron cyclotron resonance heating (ECH) has been investigated in KSTAR L-mode plasmas. ECH with varying resonance layer positions was used for heating a mix control. The experimental results show that ECH causes a counter-current rotation increment both for off-axis and on-axis ECH heating. For L-mode plasmas, off-axis ECH produces larger counter-current rotation than on-axis ECH. Analysis of ion heat and momentum transport for the ECH L-mode plasmas shows that the electron temperature gradient is the main reason for the degradation of ion heat confinement and also the main driving force for the non-diffusive momentum flux. As a possible mechanism for the counter-current intrinsic torque with ECH, the transition of the turbulence mode from ion temperature gradient (ITG) to the trapped electron mode (TEM) with the resulting sign change of turbulence driven residual stress is suggested. A linear gyro-kinetic analysis shows the ITG  →  TEM transition occurs in a localized region during ECH injection, and the trend of TEM excitation is consistent with the observed macroscopic trend of the toroidal rotation.

  8. Long-term outcome and structural integrity following open repair of massive rotator cuff tears

    PubMed Central

    Bartl, Christoph; Kouloumentas, Pannos; Holzapfel, Konstantin; Eichhorn, Stefan; Wörtler, Klaus; Imhoff, Andreas; Salzmann, Gian M

    2012-01-01

    Background: Surgical repair of massive rotator cuff tears is associated with less favorable clinical results and a higher retear rate than repair of smaller tears, which is attributed to irreversible degenerative changes of the musculotendinous unit. Materials and Methods: During the study period, 25 consecutive patients with a massive rotator cuff tear were enrolled in the study and the tears were repaired with an open suture anchor repair technique. Preoperative and postoperative clinical assessments were performed with the Constant score, the simple shoulder test (SST) and a pain visual analog scale (VAS). At the final follow-up, rotator cuff strength measurement was evaluated and assessment of tendon integrity, fatty degeneration and muscle atrophy was done using a standardized magnetic resonance imaging protocol. Results: The mean follow-up period was 70 months. The mean constant score improved significantly from 42.3 to 73.1 points at the final follow-up. Both the SST and the pain VAS improved significantly from 5.3 to 10.2 points and from 6.3 to 2.1, respectively. The overall retear rate was 44% after 6 years. Patients with an intact repair had better shoulder scores and rotator cuff strength than those with a failed repair, and also the retear group showed a significant clinical improvement (each P<0.05). Rotator cuff strength in all testing positions was significantly reduced for the operated compared to the contralateral shoulder. Muscle atrophy and fatty infiltration of the rotator cuff muscles did not recover in intact repairs, whereas both parameters progressed in retorn cuffs. Conclusions: Open repair of massive rotator tears achieved high patient satisfaction and a good clinical outcome at the long-term follow-up despite a high retear rate. Also, shoulders with retorn cuffs were significantly improved by the procedure. Muscle atrophy and fatty muscle degeneration could not be reversed after repair and rotator cuff strength still did not equal that of

  9. Folded Conformation, Cyclic Pentamer, Nano-Structure and PAD4 Binding Mode of YW3-56

    PubMed Central

    Zhu, Haimei; Wang, Yuji; Wang, Yaonan; Zhao, Shurui; Zhao, Ming; Gui, Lin; Xu, Wenyun; Chen, Xiangyun Amy; Wang, Yanming; Peng, Shiqi

    2013-01-01

    The physical and chemical mechanisms of small molecules with pharmacological activity forming nano-structures are developing into a new field of nano-medicine. By using ROESY 2D NMR spectroscopy, trandem mass spectroscopy, transmission electron microscopy and computer-assisted molecular modeling, this paper demonstrated the contribution of the folded conformation, the intra- and intermolecular π-π stacking, the intra- and intermolecular hydrogen bonds, and the receptor binding free energy of 6-dimethylaminonaph-2-yl-{N-S-[1-benzylcarba-moyl-4-(2-chloroacetamidobutyl)]-carboxamide (YW3-56) to the rapid formation of nano-rings and the slow formation of nano-capsules. Thus we have developed a strategy that makes it possible to elucidate the physical and chemical mechanisms of bioactive small molecules forming nano-structures. PMID:23795230

  10. Are Math Grades Cyclical?

    ERIC Educational Resources Information Center

    Adams, Gerald J.; Dial, Micah

    1998-01-01

    The cyclical nature of mathematics grades was studied for a cohort of elementary school students from a large metropolitan school district in Texas over six years (average cohort size of 8495). The study used an autoregressive integrated moving average (ARIMA) model. Results indicate that grades do exhibit a significant cyclical pattern. (SLD)

  11. Affordable Cyclic Voltammetry

    ERIC Educational Resources Information Center

    Stewart, Greg; Kuntzleman, Thomas S.; Amend, John R.; Collins, Michael J.

    2009-01-01

    Cyclic voltammetry is an important component of the undergraduate chemical curriculum. Unfortunately, undergraduate students rarely have the opportunity to conduct experiments in cyclic voltammetry owing to the high cost of potentiostats, which are required to control these experiments. By using MicroLab data acquisition interfaces in conjunction…

  12. The evolution of the structural, vibrational and electronic properties of the cyclic ethers - on ring size. An ab initio study

    NASA Astrophysics Data System (ADS)

    Ford, Thomas A.

    2014-09-01

    The molecular structures, vibrational spectra and atomic charges of the alicyclic ethers containing from two to five carbon atoms have been determined by means of ab initio calculations, at the level of second order Møller-Plesset perturbation theory and using Dunning's augmented correlation-consistent polarized valence triple-zeta basis set. Two isomers of the oxetane, tetrahydrofuran and tetrahydropyran molecules have been identified and their relative energies determined. Structural properties, such as the COC bond angles and the CH bond lengths, are found to increase steadily with increasing ring size and with decreasing ionization energy. The mean CH2 stretching and bending wavenumbers exhibit the reverse behaviour, while the mean wavenumbers of the CH2 wagging and twisting modes follow the same trend as the structural features. The ring mode wavenumbers vary in a less regular way. The charges of the oxygen, α-carbon and axial and equatorial α- and β-hydrogen atoms also do not show systematic dependences on ring size or ionization energy. The trends in the values of these properties have been rationalized.

  13. Changes in the Structure and Properties of Welded Joints of Low-Alloy Steels, Subjected to Cyclic Loads

    NASA Astrophysics Data System (ADS)

    Kuskov, V. N.; Kovenskiy, I. M.; Kuskov, K. V.

    2016-04-01

    Time-varying loads negatively affect the properties and structure of materials. Structural failures typically occur at loads below the yield point. In this work, fatigue tests of welded joints of low-alloy steels were carried out in an asymmetric cycle at loads of 60 and 80% of the yield strength. The stress ratio was 0.8-0.9. On the basis of the results of the tests, equations linking the number of cycles to failure with test parameters were obtained. Such equations can be used for estimating the residual life of elements both under construction and in operation. It has been found that the failure is not instantaneous. Specimens of steels continue to resist variable loads for 4000 - 26000 cycles to failure, depending on steel grade and the parameters of the test. Under operating conditions, it gives an opportunity to discover the onset of failure and dispose of the defective part or to replace the entire structure. A standard technique was used to measure the microhardness on the fractured specimens. The distance between the nearest indentations was 0.2 mm. The results of the measurements were plotted in graphs of ahardness change characteristic for all steels under study. A microhardness “step” has been discovered in areas with high dislocation density, as evidenced by x-ray diffraction and transmission electron microscopy. An intermediate stage of the investigation is the development of recommendations for determining the moment of failure of welded constructions with a probability of 95%.

  14. A method for finding candidate conformations for molecular replacement using relative rotation between domains of a known structure.

    PubMed

    Jeong, Jay I; Lattman, Eaton E; Chirikjian, Gregory S

    2006-04-01

    This paper presents a methodology to obtain candidate conformations of multidomain proteins for use in molecular replacement. For each separate domain, the orientational relationship between the template and the target structure is obtained using standard molecular replacement. The orientational relationships of the domains are then used to calculate the relative rotation between the domains in the target conformation by using pose-estimation techniques from the field of robotics and computer vision. With the angle of relative rotation between the domains as a cost function, iterative normal-mode analysis is used to drive the template structure to a candidate conformation that matches the X-ray crystallographic data obtained for the target conformation. The selection of the correct intra-protein domain orientations from among the many spurious maxima in the rotation function (including orientations obtained from domains in symmetry mates rather than within the same copy of the protein) presents a challenge. This problem is resolved by checking R factors of each domain, measuring the absolute value of relative rotation between domains, and evaluating the cost value after each candidate conformation is driven to convergence with iterative NMA. As a validation, the proposed method is applied to three test proteins: ribose-binding protein, lactoferrin and calcium ATPase. In each test case, the orientation and translation of the final candidate conformation in the unit cell are generated correctly from the suggested procedure. The results show that the proposed method can yield viable candidate conformations for use in molecular replacement and can reveal the structural details and pose of the target conformation in the crystallographic unit cell. PMID:16552141

  15. Earle K. Plyler Prize for Molecular Spectroscopy & Dynamics Lecture: Broadband Rotational Spectroscopy for Chemical Kinetics, Molecular Structure, and Analytical Chemistry

    NASA Astrophysics Data System (ADS)

    Pate, Brooks

    2013-03-01

    Advances in high-speed digital electronics have enabled a new generation of molecular rotational spectroscopy techniques that provide instantaneous broadband spectral coverage. These techniques use a chirped excitation pulse to coherently excite the molecular sample over a spectral bandwidth of 10 GHz or larger through rapid passage. The subsequent time-domain emission is recorded using high-speed digitizers (up to 100 Gigasample/s) and the frequency domain spectrum is produced by fast Fourier transformation. The chirped-pulse Fourier transform (CP-FT) method has been implemented in the microwave frequency range (2-40 GHz) for studies of cold samples in pulsed jet sources and in the mm-wave/terahertz (THz) frequency range for studies of samples at room-temperature. The method has opened new applications for molecular rotational spectroscopy in the area of chemical kinetics where dynamic rotational spectroscopy is used to measure the rates of unimolecular isomerization reactions in highly excited molecules prepared by pulsed infrared laser excitation. In these applications, the isomerization rate is obtained from an analysis of the overall line shapes which are modified by chemical exchange leading to coalescence behavior similar to the effect in NMR spectroscopy. The sensitivity of the method and the ability to extend it to low frequency (2-8 GHz) have significantly increased the size range of molecules and molecular clusters for structure determination using isotopic substitution to build up the 3D molecular structures atom-by-atom. Application to the structure of water clusters with up to 15 water molecules will be presented. When coupled with advances in solid-state mm-wave/THz devices, this method provides a direct digital technique for analytical chemistry of room-temperature gases based on molecular rotational spectroscopy. These high-throughput methods can analyze complex sample mixtures with unmatched chemical selectivity and short analysis times. Work

  16. Is Eta Carinae a Fast Rotator, and How Much Does the Companion Influence the Inner Wind Structure?

    NASA Astrophysics Data System (ADS)

    Groh, J. H.; Madura, T. I.; Owocki, S. P.; Hillier, D. J.; Weigelt, G.

    2010-06-01

    We analyze interferometric measurements of the luminous blue variable Eta Carinae with the goal of constraining the rotational velocity of the primary star and probing the influence of the companion. Using two-dimensional radiative transfer models of latitude-dependent stellar winds, we find that prolate-wind models with a ratio of the rotational velocity (v rot) to the critical velocity (v crit) of W = 0.77-0.92, inclination angle of i = 60°-90°, and position angle (P.A.) =108°-142° reproduce simultaneously K-band continuum visibilities from VLTI/VINCI and closure phase measurements from VLTI/AMBER. Interestingly, oblate models with W = 0.73-0.90 and i = 80°-90° produce similar fits to the interferometric data, but require P.A. =210°-230°. Therefore, both prolate and oblate models suggest that the rotation axis of the primary star is not aligned with the Homunculus polar axis. We also compute radiative transfer models of the primary star allowing for the presence of a cavity and dense wind-wind interaction region created by the companion star. We find that the wind-wind interaction has a significant effect on the K-band image mainly via free-free emission from the compressed walls and, for reasonable model parameters, can reproduce the VLTI/VINCI visibilities taken at phivb03 = 0.92-0.93. We conclude that the density structure of the primary wind can be sufficiently disturbed by the companion, thus mimicking the effects of fast rotation in the interferometric observables. Therefore, fast rotation may not be the only explanation for the interferometric observations. Intense temporal monitoring and three-dimensional modeling are needed to resolve these issues. Based on observations made with VLTI/AMBER and VLTI/VINCI.

  17. IS ETA CARINAE A FAST ROTATOR, AND HOW MUCH DOES THE COMPANION INFLUENCE THE INNER WIND STRUCTURE?

    SciTech Connect

    Groh, J. H.; Weigelt, G.; Madura, T. I.; Owocki, S. P.; Hillier, D. J.

    2010-06-20

    We analyze interferometric measurements of the luminous blue variable Eta Carinae with the goal of constraining the rotational velocity of the primary star and probing the influence of the companion. Using two-dimensional radiative transfer models of latitude-dependent stellar winds, we find that prolate-wind models with a ratio of the rotational velocity (v{sub rot}) to the critical velocity (v{sub crit}) of W = 0.77-0.92, inclination angle of i = 60{sup 0}-90{sup 0}, and position angle (P.A.) =108{sup 0}-142{sup 0} reproduce simultaneously K-band continuum visibilities from VLTI/VINCI and closure phase measurements from VLTI/AMBER. Interestingly, oblate models with W = 0.73-0.90 and i = 80{sup 0}-90{sup 0} produce similar fits to the interferometric data, but require P.A. =210{sup 0}-230{sup 0}. Therefore, both prolate and oblate models suggest that the rotation axis of the primary star is not aligned with the Homunculus polar axis. We also compute radiative transfer models of the primary star allowing for the presence of a cavity and dense wind-wind interaction region created by the companion star. We find that the wind-wind interaction has a significant effect on the K-band image mainly via free-free emission from the compressed walls and, for reasonable model parameters, can reproduce the VLTI/VINCI visibilities taken at {phi}{sub vb03} = 0.92-0.93. We conclude that the density structure of the primary wind can be sufficiently disturbed by the companion, thus mimicking the effects of fast rotation in the interferometric observables. Therefore, fast rotation may not be the only explanation for the interferometric observations. Intense temporal monitoring and three-dimensional modeling are needed to resolve these issues.

  18. Ultrasound Dimensions of the Rotator Cuff and Other Associated Structures in Korean Healthy Adults.

    PubMed

    Kim, Kyeongwon; Kim, Hong Geum; Song, Daeheon; Yoon, Jung Yoon; Chung, Myung Eun

    2016-09-01

    In evaluating patients complaining of shoulder pain, ultrasonography is an emerging imaging tool due to convenience, low cost, high sensitivity and specificity. However, normative values of ultrasound dimensions of the shoulder to be compared with pathologic findings in Korean adults are not provided yet. We evaluated the ultrasound dimensions of the rotator cuff, long head of biceps tendon, deltoid muscle and acromioclavicular joint in Korean healthy adults. Shoulder ultrasonography was performed on 200 shoulders from 100 healthy adults. The dimensions of the thickness of rotator cuff (supraspinatus, infraspinatus, subscapularis tendon), deltoid muscle, long head of biceps tendon, subacromial subdeltoid bursa, and acromioclavicular joint interval were measured in a standardized manner. Differences in measurements among sex, age, and dominant arms were compared. The thickness of rotator cuff tendons (supraspinatus, infraspinatus, subscapularis) and deltoid muscle were significantly different between men and women. The thickness of subacromial subdeltoid bursa was significantly different between men and women for non-dominant side. In rotator cuff tendon measurements, the differences between dominant and non-dominant shoulders were not significant, which means the asymptomatic contralateral shoulder can be used to estimate the normal reference values. When stratified by age divided by 10 years, the measurements of supraspinatus, subscapularis and deltoid thickness showed tendency of increase with the age. The acromioclavicular joint interval, on the other hand, revealed decreasing tendency. This report suggests normative values of ultrasound dimensions of healthy Korean population with varying age, and can be useful as reference values in evaluating shoulder pathology, especially in rotator cuff tendon pathology. PMID:27510393

  19. Rotational mechanism of Enterococcus hirae V1-ATPase by crystal-structure and single-molecule analyses.

    PubMed

    Iino, Ryota; Ueno, Hiroshi; Minagawa, Yoshihiro; Suzuki, Kano; Murata, Takeshi

    2015-04-01

    In ion-transporting rotary ATPases, the mechanical rotation of inner rotor subunits against other stator subunits in the complex mediates conversion of chemical free energy from ATP hydrolysis into electrochemical potential by pumping ions across the cell membrane. To fully understand the rotational mechanism of energy conversion, it is essential to analyze a target sample by multiple advanced methods that differ in spatiotemporal resolutions and sample environments. Here, we describe such a strategy applied to the water-soluble V1 moiety of Enterococcus hirae V-ATPase; this strategy involves integration of crystal structure studies and single-molecule analysis of rotary dynamics and torque generation. In addition, we describe our current model of the chemo-mechanical coupling scheme obtained by this approach, as well as future prospects. PMID:25796033

  20. Genetics Home Reference: cyclic neutropenia

    MedlinePlus

    ... Understand Genetics Home Health Conditions cyclic neutropenia cyclic neutropenia Enable Javascript to view the expand/collapse boxes. Download PDF Open All Close All Description Cyclic neutropenia is a disorder that causes frequent infections and ...

  1. Exocyclic push-pull conjugated compounds. Part 3. An experimental NMR and theoretical MO ab initio study of the structure, the electronic properties and barriers to rotation about the exocyclic partial double bond in 2- exo-methylene- and 2-cyanoimino-quinazolines and -benzodiazepines

    NASA Astrophysics Data System (ADS)

    Benassi, R.; Bertarini, C.; Hilfert, L.; Kempter, G.; Kleinpeter, E.; Spindler, J.; Taddei, F.; Thomas, S.

    2000-03-01

    The structure of a number of 2- exo-methylene substituted quinazolines and benzodiazepines, respectively, 1, 3a, b, 4( X=-CN, -COOEt ) and their 2-cyanoimino substituted analogues 2, 3c, d( X=-CN, -SO 2C 6H 4-Me (p) was completely assigned by the whole arsenal of 1D and 2D NMR spectroscopic methods. The E/ Z isomerism at the exo-cyclic double bond was determined by both NMR spectroscopy and confirmed by ab initio quantum chemical calculations; the Z isomer is the preferred one, its amount proved dependent on steric hindrance. Due to the push-pull effect in this part of the molecules the restricted rotation about the partial C 2,C 11 and C 2,N 11 double bonds, could also be studied and the barrier to rotation measured by dynamic NMR spectroscopy. The free energies of activation of this dynamic process proved very similar along the compounds studied but being dependent on the polarity of the solvent. Quantum chemical calculations at the ab initio level were employed to prove the stereochemistry at the exo-cyclic partial double bonds of 1- 4, to calculate the barriers to rotation but also to discuss in detail both the ground and the transition state of the latter dynamic process in order to better understand electronic, inter- and intramolecular effects on the barrier to rotation which could be determined experimentally. In the cyanoimino substituted compounds 2, 3c, d, the MO ab initio calculations evidence the isomer interconversion to be better described by the internal rotation process than by the lateral shift mechanism.

  2. Structural changes of block copolymers with bi-modal orientation under fast cyclical stretching as observed by synchrotron SAXS

    PubMed Central

    Brubert, J.; Serrani, M.; Talhat, A.; De Gaetano, F.; Costantino, M. L.; Moggridge, G. D.

    2015-01-01

    Load-bearing tissues are composite materials that depend strongly on anisotropic fibre arrangement to maximise performance. One such tissue is the heart valve, with orthogonally arranged fibrosa and ventricularis layers. Their function is to maintain mechanical stress while being resilient. It is postulated that while one layer bears the applied stress, the orthogonal layer helps to regenerate the microstructure when the load is released. The present paper describes changes in the microstructure of a block copolymer with cylindrical morphology, having a bio-inspired microstructure of anisotropic orthogonally oriented layers, under uniaxial strain. To allow structural observations during fast deformation, equivalent to the real heart valve operation, we used a synchrotron X-ray source and recorded 2D SAXS patterns in only 1 ms per frame. The deformation behaviour of the composite microstructure has been reported for two arrangements of the cylinders in skin and core layers. The behaviour is very different to that observed either for uniaxially oriented or isotropic samples. Deformation is far from being affine. Cylinders aligned in the direction of stretch show fragmentation, but complete recovery of the spacing between cylinders on removal of the load. Those oriented perpendicular to the direction of stretch incline at an angle of approximately 25° to their original direction during load. PMID:25781560

  3. Secular rotational motions and the mechanical structure of a dynamical viscoelastic earth

    NASA Technical Reports Server (NTRS)

    Yuen, D. A.; Sabadini, R.

    1984-01-01

    A survey is presented of analytical methods for computing the linear responses of the rotational axis of a layered viscoelastic earth to surface loading. Theoretical research in this area is first summarized, and the differences between the mechanical boundary conditions to be applied at the interface separating the upper and lower mantles for an adiabatically and chemically stratified mantle are discussed. Some examples of polar wander and secular variation of the spin rate from glacial excitation are presented for various types of chemical and viscosity stratifications. The effects of an artificial density jump at the base of the lithosphere in models are examined, and certain issues concerning the fluid tidal Love number for different types of density stratification are addressed. The meaning of effective plate thickness over geological time scales for rotational dynamics is discussed.

  4. O-Toluic Acid Monomer and Monohydrate: Rotational Spectra, Structures, and Atmospheric Implications

    NASA Astrophysics Data System (ADS)

    Schnitzler, Elijah G.; Zenchyzen, Brandi L. M.; Jäger, Wolfgang

    2015-06-01

    Clusters of carboxylic acids with water, sulfuric acid, and other atmospheric species potentially increase the rate of new particle formation in the troposphere. Here, we present high-resolution pure rotational spectra of o-toluic acid and its complex with water in the range of 5-14 GHz, measured with a cavity-based molecular beam Fourier-transform microwave spectrometer. In both the monomer and the complex, the carboxylic acid functional group adopts a syn- conformation, with the acidic proton oriented away from the aromatic ring. In the complex, water participates in two hydrogen bonds, forming a six-membered intermolecular ring. Despite its large calculated c-dipole moment, no c-type transitions were observed for the complex, because of a large amplitude "wagging" motion of the unbound hydrogen of water, similar to the case of the benzoic acid-water complex. No methyl internal rotation splittings were observed, consistent with a high barrier (7 kJ mol-1) calculated for the monomer at the B3LYP/6-311++G(d,p) level of theory. Using statistical thermodynamics, experimental rotational constants were combined with a theoretical frequency analysis and binding energy to give an estimate of the percentage of hydrated acid in the atmosphere under various conditions. F. Riccobono, et al., Science, 344, 717 (2014). R. Zhang, et al., Science, 304, 1487 (2004). E. G. Schnitzler and W. Jäger, Phys. Chem. Chem. Phys., 16, 2305 (2014).

  5. Rotational motion and evidence for oligomeric structures of sarcoplasmic reticulum Ca2+-activated ATPase.

    PubMed Central

    Hoffmann, W; Sarzala, M G; Chapman, D

    1979-01-01

    The rotational motion of the sarcoplasmic reticulum Ca2+-activated ATPase (ATP phosphohydrolase, EC 3.6.1.3) has been investigated by measuring the decay of laser flash-induced dichroism with the covalently attached triplet probe eosin isothiocyanate. The Arrhenius plot for rotational mobility indicates two discontinuities at approximately 15 degrees C and approximately 35 degrees C. The experimental data are rationalized in terms of a sudden conformeric change in the ATPase at 15 degrees C and a temperature-dependent equilibrium existing between the conformationally altered ATPase and oligomeric forms of it in the temperature range 15-35 degrees C. The enzymatic activity, as indicated by a discontinuity in the Arrhenius plot for the rate of ATP hydrolysis, appears to be sensitive only to the change at 15 degrees C. There is a strong correlation between the activation energy below 15 degrees C for rotational motion (33.6 +/- 2.2 kcal/mol) and enzymatic activity (34 +/- 4 kcal/mol). PMID:158763

  6. ROTATION OF WHITE-LIGHT CORONAL MASS EJECTION STRUCTURES AS INFERRED FROM LASCO CORONAGRAPH

    SciTech Connect

    Yurchyshyn, Vasyl; Abramenko, Valentyna; Tripathi, Durgesh

    2009-11-01

    Understanding the connection between the magnetic configurations of a coronal mass ejection (CME) and their counterpart in the interplanetary medium is very important in terms of space weather predictions. Our previous findings indicate that the orientation of a halo CME elongation may correspond to the orientation of the underlying flux rope. Here we further explore these preliminary results by comparing orientation angles of elongated LASCO CMEs, both full and partial halos, to the EUV Imaging Telescope post-eruption arcades (PEAs). By analyzing a sample of 100 events, we found that the overwhelming majority of CMEs are elongated in the direction of the axial field of PEAs. During their evolution, CMEs appear to rotate by about 10 deg. for most of the events (70%) with about 30 deg. - 50 deg. for some events, and the corresponding time profiles display regular and gradual changes. It seems that there is a slight preference for the CMEs to rotate toward the solar equator and heliospheric current sheet (59% of the cases). We suggest that the rotation of the ejecta may be due to the presence of a heliospheric magnetic field, and it could shed light on the problems related to connecting solar surface phenomena to their interplanetary counterparts.

  7. Vibration suppression control of smart piezoelectric rotating truss structure by parallel neuro-fuzzy control with genetic algorithm tuning

    NASA Astrophysics Data System (ADS)

    Lin, J.; Zheng, Y. B.

    2012-07-01

    The main goal of this paper is to develop a novel approach for vibration control on a piezoelectric rotating truss structure. This study will analyze the dynamics and control of a flexible structure system with multiple degrees of freedom, represented in this research as a clamped-free-free-free truss type plate rotated by motors. The controller has two separate feedback loops for tracking and damping, and the vibration suppression controller is independent of position tracking control. In addition to stabilizing the actual system, the proposed proportional-derivative (PD) control, based on genetic algorithm (GA) to seek the primary optimal control gain, must supplement a fuzzy control law to ensure a stable nonlinear system. This is done by using an intelligent fuzzy controller based on adaptive neuro-fuzzy inference system (ANFIS) with GA tuning to increase the efficiency of fuzzy control. The PD controller, in its assisting role, easily stabilized the linear system. The fuzzy controller rule base was then constructed based on PD performance-related knowledge. Experimental validation for such a structure demonstrates the effectiveness of the proposed controller. The broad range of problems discussed in this research will be found useful in civil, mechanical, and aerospace engineering, for flexible structures with multiple degree-of-freedom motion.

  8. Solution-phase parallel synthesis of a pharmacophore library of HUN-7293 analogues: a general chemical mutagenesis approach to defining structure-function properties of naturally occurring cyclic (depsi)peptides.

    PubMed

    Chen, Yan; Bilban, Melitta; Foster, Carolyn A; Boger, Dale L

    2002-05-15

    HUN-7293 (1), a naturally occurring cyclic heptadepsipeptide, is a potent inhibitor of cell adhesion molecule expression (VCAM-1, ICAM-1, E-selectin), the overexpression of which is characteristic of chronic inflammatory diseases. Representative of a general approach to defining structure-function relationships of such cyclic (depsi)peptides, the parallel synthesis and evaluation of a complete library of key HUN-7293 analogues are detailed enlisting solution-phase techniques and simple acid-base liquid-liquid extractions for isolation and purification of intermediates and final products. Significant to the design of the studies and unique to solution-phase techniques, the library was assembled superimposing a divergent synthetic strategy onto a convergent total synthesis. An alanine scan and N-methyl deletion of each residue of the cyclic heptadepsipeptide identified key sites responsible for or contributing to the biological properties. The simultaneous preparation of a complete set of individual residue analogues further simplifying the structure allowed an assessment of each structural feature of 1, providing a detailed account of the structure-function relationships in a single study. Within this pharmacophore library prepared by systematic chemical mutagenesis of the natural product structure, simplified analogues possessing comparable potency and, in some instances, improved selectivity were identified. One potent member of this library proved to be an additional natural product in its own right, which we have come to refer to as HUN-7293B (8), being isolated from the microbial strain F/94-499709. PMID:11996584

  9. Rotational preference in gymnastics.

    PubMed

    Heinen, Thomas; Jeraj, Damian; Vinken, Pia M; Velentzas, Konstantinos

    2012-06-01

    In gymnastics, most skills incorporate rotations about one or more body axes. At present, the question remains open if factors such as lateral preference and/or vestibulo-spinal asymmetry are related to gymnast's rotational preference. Therefore, we sought to explore relationships in gymnast's rotation direction between different gymnastic skills. Furthermore, we sought to explore relationships between rotational preference, lateral preference, and vestibulo-spinal asymmetry. In the experiment n = 30 non-experts, n = 30 near-experts and n = 30 experts completed a rotational preference questionnaire, a lateral preference inventory, and the Unterberger-Fukuda Stepping Test. The results revealed, that near-experts and experts more often rotate rightward in the straight jump with a full turn when rotating leftward in the round-off and vice versa. The same relationship was found for experts when relating the rotation preference in the handstand with a full turn to the rotation preference in the straight jump with a full turn. Lateral preference was positively related to rotational preference in non-expert gymnasts, and vestibulo-spinal asymmetry was positively related to rotational preference in experts. We suggest, that gymnasts should explore their individual rotational preference by systematically practicing different skills with a different rotation direction, bearing in mind that a clearly developed structure in rotational preference between different skills may be appropriate to develop more complex skills in gymnastics. PMID:23486362

  10. Rotational Preference in Gymnastics

    PubMed Central

    Heinen, Thomas; Jeraj, Damian; Vinken, Pia M.; Velentzas, Konstantinos

    2012-01-01

    In gymnastics, most skills incorporate rotations about one or more body axes. At present, the question remains open if factors such as lateral preference and/or vestibulo-spinal asymmetry are related to gymnast’s rotational preference. Therefore, we sought to explore relationships in gymnast’s rotation direction between different gymnastic skills. Furthermore, we sought to explore relationships between rotational preference, lateral preference, and vestibulo-spinal asymmetry. In the experiment n = 30 non-experts, n = 30 near-experts and n = 30 experts completed a rotational preference questionnaire, a lateral preference inventory, and the Unterberger-Fukuda Stepping Test. The results revealed, that near-experts and experts more often rotate rightward in the straight jump with a full turn when rotating leftward in the round-off and vice versa. The same relationship was found for experts when relating the rotation preference in the handstand with a full turn to the rotation preference in the straight jump with a full turn. Lateral preference was positively related to rotational preference in non-expert gymnasts, and vestibulo-spinal asymmetry was positively related to rotational preference in experts. We suggest, that gymnasts should explore their individual rotational preference by systematically practicing different skills with a different rotation direction, bearing in mind that a clearly developed structure in rotational preference between different skills may be appropriate to develop more complex skills in gymnastics. PMID:23486362

  11. Cyclically controlled welding purge chamber

    NASA Technical Reports Server (NTRS)

    Gallagher, Robert L. (Inventor)

    1996-01-01

    An arrangement for butt-welding cylindrical sections of large, thin-wall tanks includes a rotatable mandrel with side-by-side sets of radial position adjusters. Each set of adjusters bears on one of the tank sections adjacent the seam, to prevent the sections from sagging out-of-round. The mandrel rotates relative to the welder, so that a continuous seam is formed. A purge chamber is fixed in position behind the seam at the weld head, and is flushed with inert gas. The purge chamber includes a two-sided structure which is contiguous with the cylindrical sections and a circumferential vane to form an open-ended tube-like structure, through which the radial position adjusters pass as the mandrel and cylindrical workpiece sections rotate. The tube-like structure is formed into a chamber by a plurality of movable gates which are controlled to maintain a seal while allowing adjusters to progress through the purge chamber.

  12. An ab initio study of some structural features and the rotational barriers in performic acid, formic acid and hydrogen peroxide

    NASA Astrophysics Data System (ADS)

    Bock, Charles W.; George, Philip; Trachtman, Mendel

    1981-02-01

    Calculations on performic acid at the 4-31G level, with and without bond functions with complete geometry optimization, and at the (9, 5) level, with and without polarization functions and rigid rotation, all give no sign of a well in the potential energy curve for rotation about the O/O bond axis in the region of 50° - 90° ; and all but the unaugmented 4-31G basis set find the cis- cis planar conformer to be the most stable form. Calculations at the (9,5) level with rigid rotation find the energies of the other planar conformers, relative to the cis- cis conformer, to be 0.94, 1.50 and 14.80 kcal mol -1 for the trans- trans, cis- trans and trans- cis structures respectively. These energies and also that for the barrier separating the cis- cis and cis- trans conformers, 1-2 kcal mol -1, are discussed in relation to corresponding data for formic acid, hydrogen peroxide and several planar four heavy-atom molecules. Dipole moment calculations using the same basis sets would seem to favor a skew conformation as the most stable for performic acid, but comparisons between calculated and experimental values for formic acid and for hydrogen peroxide cast doubt on the validity of such results.

  13. Cyclic control stick

    DOEpatents

    Whitaker, Charles N.; Zimmermann, Richard E.

    1989-01-01

    A cyclic control stick of the type used in helicopters for reducing the safety hazards associated with such a mechanism in the event of a crewman being thrown violently into contact with the cyclic control stick resulting from a crash or the like. The cyclic control stick is configured to break away upon the exertion of an impact force which exceeds a predetermined value and/or is exerted for more than a momentary time duration. The cyclic control stick is also configured to be adjustable so as to locate the grip thereof as far away from the crewman as possible for safety reasons without comprising the comfort of the crewman or the use of the control stick, and a crushable pad is provided on the top of the grip for impact energy absorbing purposes.

  14. Cyclic steps on ice

    NASA Astrophysics Data System (ADS)

    Yokokawa, M.; Izumi, N.; Naito, K.; Parker, G.; Yamada, T.; Greve, R.

    2016-05-01

    Boundary waves often form at the interface between ice and fluid flowing adjacent to it, such as ripples under river ice covers, and steps on the bed of supraglacial meltwater channels. They may also be formed by wind, such as the megadunes on the Antarctic ice sheet. Spiral troughs on the polar ice caps of Mars have been interpreted to be cyclic steps formed by katabatic wind blowing over ice. Cyclic steps are relatives of upstream-migrating antidunes. Cyclic step formation on ice is not only a mechanical but also a thermodynamic process. There have been very few studies on the formation of either cyclic steps or upstream-migrating antidunes on ice. In this study, we performed flume experiments to reproduce cyclic steps on ice by flowing water, and found that trains of steps form when the Froude number is larger than unity. The features of those steps allow them to be identified as ice-bed analogs of cyclic steps in alluvial and bedrock rivers. We performed a linear stability analysis and obtained a physical explanation of the formation of upstream-migrating antidunes, i.e., precursors of cyclic steps. We compared the results of experiments with the predictions of the analysis and found the observed steps fall in the range where the analysis predicts interfacial instability. We also found that short antidune-like undulations formed as a precursor to the appearance of well-defined steps. This fact suggests that such antidune-like undulations correspond to the instability predicted by the analysis and are precursors of cyclic steps.

  15. Cyclic polymers from alkynes.

    PubMed

    Roland, Christopher D; Li, Hong; Abboud, Khalil A; Wagener, Kenneth B; Veige, Adam S

    2016-08-01

    Cyclic polymers have dramatically different physical properties compared with those of their equivalent linear counterparts. However, the exploration of cyclic polymers is limited because of the inherent challenges associated with their synthesis. Conjugated linear polyacetylenes are important materials for electrical conductivity, paramagnetic susceptibility, optical nonlinearity, photoconductivity, gas permeability, liquid crystallinity and chain helicity. However, their cyclic analogues are unknown, and therefore the ability to examine how a cyclic topology influences their properties is currently not possible. We have solved this challenge and now report a tungsten catalyst supported by a tetraanionic pincer ligand that can rapidly polymerize alkynes to form conjugated macrocycles in high yield. The catalyst works by tethering the ends of the polymer to the metal centre to overcome the inherent entropic penalty of cyclization. Gel-permeation chromatography, dynamic and static light scattering, viscometry and chemical tests are all consistent with theoretical predictions and provide unambiguous confirmation of a cyclic topology. Access to a wide variety of new cyclic polymers is now possible by simply choosing the appropriate alkyne monomer. PMID:27442285

  16. Cyclic polymers from alkynes

    NASA Astrophysics Data System (ADS)

    Roland, Christopher D.; Li, Hong; Abboud, Khalil A.; Wagener, Kenneth B.; Veige, Adam S.

    2016-08-01

    Cyclic polymers have dramatically different physical properties compared with those of their equivalent linear counterparts. However, the exploration of cyclic polymers is limited because of the inherent challenges associated with their synthesis. Conjugated linear polyacetylenes are important materials for electrical conductivity, paramagnetic susceptibility, optical nonlinearity, photoconductivity, gas permeability, liquid crystallinity and chain helicity. However, their cyclic analogues are unknown, and therefore the ability to examine how a cyclic topology influences their properties is currently not possible. We have solved this challenge and now report a tungsten catalyst supported by a tetraanionic pincer ligand that can rapidly polymerize alkynes to form conjugated macrocycles in high yield. The catalyst works by tethering the ends of the polymer to the metal centre to overcome the inherent entropic penalty of cyclization. Gel-permeation chromatography, dynamic and static light scattering, viscometry and chemical tests are all consistent with theoretical predictions and provide unambiguous confirmation of a cyclic topology. Access to a wide variety of new cyclic polymers is now possible by simply choosing the appropriate alkyne monomer.

  17. Cyclic unequal error protection codes constructed from cyclic codes of composite length

    NASA Technical Reports Server (NTRS)

    Lin, Shu

    1987-01-01

    The distance structure of cyclic codes of composite length was investigated. A lower bound on the minimum distance for this class of codes is derived. In many cases, the lower bound gives the true minimum distance of a code. Then the distance structure of the direct sum of two cyclic codes of composite length were investigated. It was shown that, under certain conditions, the direct-sum code provides two levels of error correcting capability, and hence is a two-level unequal error protection (UEP) code. Finally, a class of two-level UEP cyclic direct-sum codes and a decoding algorithm for a subclass of these codes are presented.

  18. Structural stability, C-N internal rotations and vibrational spectral analysis of non-planar phenylurea and phenylthiourea

    NASA Astrophysics Data System (ADS)

    Badawi, Hassan M.

    2009-04-01

    The structural stability and C-N internal rotations of phenylurea and phenylthiourea were investigated by DFT-B3LYP and ab initio MP2 and MP4//MP2 calculations with 6-311G** and/or 6-311+G** basis sets. The complex multirotor internal rotations in phenylurea and phenylthiourea were investigated at the B3LYP/6-311+G** level of theory from which several clear minima were predicted in the calculated potential energy scans of both molecules. For phenylurea two minima that correspond to non-planar- (CNCC dihedral angle of about 45°) cis (CNCO dihedral angle is near 0°) and trans (CNCO dihedral angle is near 180°) structures were predicted to have real frequency. For phenylthiourea only the non- planar- trans structure was predicted to be the low energy minimum for the molecule. The vibrational frequencies of the lowest energy non-planar-trans conformer of each of the two molecules were computed at the B3LYP level and tentative vibrational assignments were provided on the basis of normal coordinate analysis and experimental infrared and Raman data.

  19. Small-scale variations in the galactic magnetic field - The rotation measure structure function and birefringence in interstellar scintillations

    NASA Technical Reports Server (NTRS)

    Simonetti, J. H.; Cordes, J. M.; Spangler, S. R.

    1984-01-01

    The structure function of rotation measures of extragalactic sources and birefringence in interstellar scintillations are used to investigate variations in the interstellar magnetic field on length scales of about 0.01-100 pc and 10 to the 11th cm, respectively. Model structure functions are derived for the case of a power-law power spectrum of irregularities in the quantity (n(e)B), and an estimate for the structure function is computed for several regions of the sky using data on extragalactic sources. The results indicate an outer angular scale for rotation measure (RM) variations of not less than about 5 deg (a linear scale of about 9-90 pc at a distance of 0.1-1 kpc). There is also evidence for RM variations on angular scales as small as 1 arcmin, but it cannot be determined whether these are intrinsic to the source or caused by the interstellar medium. The effect of a random, Faraday-active medium on the diffraction of radio waves is derived, and an upper limit to the variations in n(e)B on a length scale of 10 to the 11th cm is obtained from available observations.

  20. Rotational structure and signature inversion in odd-odd [sup 84]Y

    SciTech Connect

    Chattopadhyay, S.; Jain, H.C.; Sheikh, J.A.; Agarwal, Y.K.; Jhingan, M.L. )

    1993-01-01

    High spin states with angular momentum up to 21[h bar] in [sup 84]Y have been established for the first time through the discrete-line [gamma]-ray spectroscopy using the [sup 59]Co([sup 28]Si,2[ital pn])[sup 84]Y reaction at 98 MeV. The experimental level scheme exhibits rotational characteristics with a large signature splitting and also signature inversion at [ital I]=11[h bar]. Theoretical calculations using the particle-rotor model with axial symmetry provide a good description of the observed phenomena.

  1. Electronic structure with vibration-rotation study of the NaYb molecule

    NASA Astrophysics Data System (ADS)

    Tohme, Samir N.; Korek, Mahmoud

    2015-10-01

    The potential energy curves have been investigated for the 15 lowest doublet and quartet electronic states in the 2s+1Λ± representation of the molecule NaYb via CASSCF/MRCI (single and double excitations with Davidson correction) calculations. The spectroscopic constants (Te, De, ωe, Be, re, …) have been calculated in addition to the permanent dipole moments μ. By using the canonical functions approach, the eigenvalues Ev, the rotational constants Bv, the centrifugal distortion constant Dv, and the abscissas of the turning points rmin and rmax have been calculated for different electronic states. Fourteen molecular states have been studied theoretically for the first time.

  2. On linear structure and phase rotation invariant properties of block 2(sup l)-PSK modulation codes

    NASA Technical Reports Server (NTRS)

    Lin, Shu

    1990-01-01

    Two important structural properties of block 2(l)-ary PSK (phase shift keying) modulation codes, linear structure and phase symmetry, are investigated. For an additive white Gaussian noise (AWGN) channel, the error performance of a modulation code depends on its squared Euclidean distance distribution. Linear structure of a code makes the error performance analysis much easier. Phase symmetry of a code is important in resolving carrier phase ambiguity and ensuring rapid carrier phase resynchronization after temporary loss of synchronization. It is desirable for a code to have as many phase symmetries as possible. A 2(l)-ary modulation code is represented here as a code with symbols from the integer group. S sub 2(l) PSK = (0,1,2,...,2(l)-1), under the modulo-2(l) addition. The linear structure of block 2(l)-ary PSK modulation codes over S sub 2(l)-ary PSK with respect to the modulo-2(l) vector addition is defined, and conditions under which a block 2(l)-ary PSK modulation code is linear are derived. Once the linear structure is developed, phase symmetry of a block 2(l)-ary PSK modulation code is studied. It is a necessary and sufficient condition for a block 2(l)-PSK modulation code, which is linear as a binary code, to be invariant under 180 deg/2(l-h) phase rotation, for 1 is less than or equal to h is less than or equal to l. A list of short 8-PSK and 16-PSK modulation codes is given, together with their linear structure and the smallest phase rotation for which a code is invariant.

  3. Doppler imaging of stellar surface structure. XV. A possible detection of differential rotation and local meridional flows on the rapidly-rotating giant HD 218153 = KU Pegasi

    NASA Astrophysics Data System (ADS)

    Weber, M.; Strassmeier, K. G.

    2001-07-01

    Time-resolved Doppler images of the rapidly rotating, but long-period (25 days), giant KU Pegasi show several cool low-to-medium latitude spots as well as an asymmetric polar feature. The average spot temperature is about 700 K below the photospheric temperature of 4700 K. KU Peg is one of the most massive, and currently the most evolved, late-type star with a Doppler image. We obtained two independent images from two consecutive stellar rotations covering 50 nights with a total of 43 spectra. From a cross-correlation analysis of the two maps, we detect systematic longitudinal and latitudinal shifts that we tentatively interpret as latitude-dependent differential rotation and local meridional flows, respectively. The differential-rotation pattern is more complex than on the Sun, but on average in the sense that the poles rotate slower than the stellar equator, i.e. in the same direction and also of the same order than on the Sun. The latitudinal shifts are of the order of 0.4° day-1 towards the stellar pole and occur at longitudes of around 40° and 330°. The residual {Hα } profiles show a stationary emission component at rest wavelength and a blue-shifted absorption. The latter suggests an outward pointed velocity field with a flow velocity of approximately 35 km s-1.

  4. The block structure and Quaternary strike-slip block rotation of central Japan

    NASA Astrophysics Data System (ADS)

    Kanaori, Yuji; Kawakami, Shin-Ichi; Yairi, Kenji

    1992-02-01

    Central Japan is situated on the inflection point of the bow-shaped Japanese islands. Numerous NW-SE trending active faults, arranged in parallel at intervals of 20 to 80 km are found in this area. These active faults are more than 30 km long with shattered zones from 30 to 300 m wide. Several active faults constitute a given block boundary, which serves as the dividing line for one of the four blocks that make up central Japan. The block boundaries require careful study since numerous historical earth-quakes have occurred along these lines. Offset measurements of basement rocks, created during the Quaternary period due to left-lateral faulting, amount to 1 to 7 km. Gravity lineaments, which link points of sudden change and saddles of Bouguer anomalies, are clearly found along the block boundaries. The NW-SE trending active faults appearing on the ground surface are associated with motions of the block boundaries. Block rotational movement, caused by left-lateral faulting, plays an important role in the crustal deformation of central Japan. Rotational angles of the blocks calculated from the amount of displacement of basement rocks, initiated during the Quaternary period, are estimated to be 3° to 7° in a clockwise manner.

  5. A rotating spiral structure in the innermost regions around IRC+10216

    NASA Astrophysics Data System (ADS)

    Quintana-Lacaci, G.; Cernicharo, J.; Agúndez, M.; Velilla Prieto, L.; Castro-Carrizo, A.; Marcelino, N.; Cabezas, C.; Peña, I.; Alonso, J. L.; Zuñiga, J.; Requena, A.; Bastida, A.; Kalugina, Y.; Lique, F.; Guélin, M.

    2016-07-01

    ALMA interferometer is providing us molecular maps with unprecedent precision and sensitivity, Key processes in the ejection of matter and dust from these objects occur in their inner zones. We have obtained sub-arcsecond interferometric maps of rotational transitions of metal-bearing molecules towards the prototypical C-rich evolved star IRC+ 10216. While Al- bearing molecular emission presents a roughly spherical shell, the molecular emission from NaCl and KCl presents an elongation in the inner regions, with a central minimum. The presence of the observed features only in KCl and NaCl might be a direct result of their comparatively high dipole moment with respect to the Al-bearing species. The most plausible interpretation for the spatial distribution of the salts is a spiral with a NaCl mass of 0.08 M ⊙ with an inner radius of 27 AU. The gas kinematics suggests that it is slowly expanding and rotating. Alternative gas distributions which could result in the presence of the elongation are also explored.

  6. Cascaded Magneto-Optical Ring Resonator Structures for Tunable Faraday Rotation and Reduced Isolator Footprint

    NASA Astrophysics Data System (ADS)

    Cengiz Onbasli, Mehmet; Hu, Juejun; Bi, Lei; Dionne, Gerald F.; Ross, Caroline A.

    2012-02-01

    On-chip optical isolators are indispensible components of integrated optics, and can be modified to enable four-port and multi-port circulators and modulators. We have implemented an on-chip optical isolator by placing a racetrack resonator next to a single mode waveguide and coating half of the resonator with a uniformly magnetized magneto-optical film, which breaks the time-reversal symmetry of light propagation and provides different refractive indices and phase shifts for forward and backward propagating waves. At every pass, the optical mode inside the resonator accumulates Faraday rotation in addition to phase shift due to propagation. The transmission from the output port of the waveguide has a Lorentzian dip due to the resonance peak of the resonator. Light can only propagate in the clockwise direction inside the resonator. Here we model how cascading multiple ring resonators can increase the overall quality factor of the isolator and narrow the resonance linewidth, due to the longer photon lifetime inside the cavity. As a result of better control of Faraday rotation, the isolation ratio is enhanced and the device footprint is reduced with respect to Mach-Zehnder waveguide isolators.

  7. Synthesis of cyclic N 1-pentylinosine phosphate, a new structurally reduced cADPR analogue with calcium-mobilizing activity on PC12 cells

    PubMed Central

    Borbone, Nicola; Pinto, Brunella; Secondo, Agnese; Costantino, Valeria; Tedeschi, Valentina; Piccialli, Vincenzo; Piccialli, Gennaro

    2015-01-01

    Summary Cyclic N 1-pentylinosine monophosphate (cpIMP), a novel simplified inosine derivative of cyclic ADP-ribose (cADPR) in which the N 1-pentyl chain and the monophosphate group replace the northern ribose and the pyrophosphate moieties, respectively, was synthesized. The role played by the position of the phosphate group in the key cyclization step, which consists in the formation of a phosphodiester bond, was thoroughly investigated. We have also examined the influence of the phosphate bridge on the ability of cpIMP to mobilize Ca2+ in PC12 neuronal cells in comparison with the pyrophosphate bridge present in the cyclic N 1-pentylinosine diphosphate analogue (cpIDP) previously synthesized in our laboratories. The preliminary biological tests indicated that cpIMP and cpIDP induce a rapid increase of intracellular Ca2+ concentration in PC12 neuronal cells. PMID:26877790

  8. Probe measurements of the three-dimensional magnetic field structure in a rotating magnetic field sustained field-reversed configuration

    SciTech Connect

    Velas, K. M.; Milroy, R. D.

    2014-01-15

    A translatable three-axis probe was constructed and installed on the translation, confinement, and sustainment upgrade (TCSU) experiment. With ninety windings, the probe can simultaneously measure B{sub r}, B{sub θ}, and B{sub z} at 30 radial positions, and can be placed at any desired axial position within the field reversed configuration (FRC) confinement chamber. Positioning the probe at multiple axial positions and taking multiple repeatable shots allows for a full r-z map of the magnetic field. Measurements were made for odd-parity rotating magnetic field (RMF) antennas and even-parity RMF. The steady state data from applying a 10 kHz low pass filter used in conjunction with data at the RMF frequency yields a map of the full 3D rotating field structure. Comparisons will be made to the 3D magnetic structure predicted by NIMROD simulations, with parameters adjusted to match that of the TCSU experiments. The probe provides sufficient data to utilize a Maxwell stress tensor approach to directly measure the torque applied to the FRC's electrons, which combined with a resistive torque model, yields an estimate of the average FRC resistivity.

  9. Angular analysis of the cyclic impacting oscillations in a robotic grinding process

    NASA Astrophysics Data System (ADS)

    Rafieian, Farzad; Girardin, François; Liu, Zhaoheng; Thomas, Marc; Hazel, Bruce

    2014-02-01

    In a robotic machining process, a light-weight cutter or grinder is usually held by an articulated robot arm. Material removal is achieved by the rotating cutting tool while the robot end effector ensures that the tool follows a programmed trajectory in order to work on complex curved surfaces or to access hard-to-reach areas. One typical application of such process is maintenance and repair work on hydropower equipment. This paper presents an experimental study of the dynamic characteristics of material removal in robotic grinding, which is unlike conventional grinding due to the lower structural stiffness of the tool-holder robot. The objective of the study is to explore the cyclic nature of this mechanical operation to provide the basis for future development of better process control strategies. Grinding tasks that minimize the number of iterations to converge to the target surface can be better planned based on a good understanding and modeling of the cyclic material removal mechanism. A single degree of freedom dynamic analysis of the process suggests that material removal is performed through high-frequency impacts that mainly last for only a small fraction of the grinding disk rotation period. To detect these discrete cutting events in practice, a grinder is equipped with a rotary encoder. The encoder's signal is acquired through the angular sampling technique. A running cyclic synchronous average is applied to the speed signal to remove its non-cyclic events. The measured instantaneous rotational frequency clearly indicates the impacting nature of the process and captures the transient response excited by these cyclic impacts. The technique also locates the angular positions of cutting impacts in revolution cycles. It is thus possible to draw conclusions about the cyclic nature of dynamic changes in impact-cutting behavior when grinding with a flexible robot. The dynamics of the impacting regime and transient responses to impact-cutting excitations

  10. Stable fractional vortices in the cyclic states of Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Huhtamäki, J. A. M.; Simula, T. P.; Kobayashi, M.; Machida, K.

    2009-11-01

    We propose methods to create fractional vortices in the cyclic state of an F=2 spinor Bose-Einstein condensate by manipulating its internal spin structure using pulsed microwave and laser fields. The stability of such vortices is studied as a function of the rotation frequency of the confining harmonic trap both in pancake- and cigar-shaped condensates. We find a range of parameters for which the so-called (1)/(3) vortex state is energetically favorable. Such fractional vortices could be created in condensates of R87b atoms using current experimental techniques facilitating probing of topological defects with non-Abelian statistics.

  11. Regular rotating electrically charged structures in nonlinear electrodynamics minimally coupled to gravity

    NASA Astrophysics Data System (ADS)

    Dymnikova, Irina; Galaktionov, Evgeny

    2016-03-01

    In nonlinear electrodynamics minimally coupled to gravity, regular spherically symmetric electrically charged solutions satisfy the weak energy condition and have obligatory de Sitter center. By the Gürses-Gürsey algorithm they are transformed to regular axially symmetric solutions asymptotically Kerr-Newman for a distant observer. Rotation transforms de Sitter center into de Sitter equatorial disk embedded as a bridge into a de Sitter vacuum surface. The de Sitter surfaces satisfy p = -ρ and have properties of a perfect conductor and ideal diamagnetic. The Kerr ring singularity is replaced with the superconducting current which serves as a non-dissipative electromagnetic source of the asymptotically Kerr-Newman geometry. Violation of the weak energy condition is prevented by the basic requirement of electrodynamics of continued media.

  12. An algorithm for computing the 2D structure of fast rotating stars

    NASA Astrophysics Data System (ADS)

    Rieutord, Michel; Espinosa Lara, Francisco; Putigny, Bertrand

    2016-08-01

    Stars may be understood as self-gravitating masses of a compressible fluid whose radiative cooling is compensated by nuclear reactions or gravitational contraction. The understanding of their time evolution requires the use of detailed models that account for a complex microphysics including that of opacities, equation of state and nuclear reactions. The present stellar models are essentially one-dimensional, namely spherically symmetric. However, the interpretation of recent data like the surface abundances of elements or the distribution of internal rotation have reached the limits of validity of one-dimensional models because of their very simplified representation of large-scale fluid flows. In this article, we describe the ESTER code, which is the first code able to compute in a consistent way a two-dimensional model of a fast rotating star including its large-scale flows. Compared to classical 1D stellar evolution codes, many numerical innovations have been introduced to deal with this complex problem. First, the spectral discretization based on spherical harmonics and Chebyshev polynomials is used to represent the 2D axisymmetric fields. A nonlinear mapping maps the spheroidal star and allows a smooth spectral representation of the fields. The properties of Picard and Newton iterations for solving the nonlinear partial differential equations of the problem are discussed. It turns out that the Picard scheme is efficient on the computation of the simple polytropic stars, but Newton algorithm is unsurpassed when stellar models include complex microphysics. Finally, we discuss the numerical efficiency of our solver of Newton iterations. This linear solver combines the iterative Conjugate Gradient Squared algorithm together with an LU-factorization serving as a preconditioner of the Jacobian matrix.

  13. [Cyclic enteral nutrition].

    PubMed

    Hébuterne, X; Rampal, P

    1996-02-10

    Cyclic enteral nutrition consists in continuous infusion of nutrients with a pump over a 12 to 14 hour period at night. Different reports have demonstrated that cyclic enteral nutrition is well tolerated in malnourished ambulatory patients. The incidence of pneumonia by inhalation in this type of patients is less than 2%. Excepting patients with major amputation of the small intestine and important functional consequences, the increased infusion rate required by cyclic enteral nutrition does not diminish digestive tract absorption making the technique as effective as continuous 24-hour infusion. The main advantages of the cyclic infusion are the preservation of physiological balance between fasting and feeding, improved physical activity during the day with its beneficial effect on protein-energy metabolism, compatibility with oral nutrition during the day in nutrition reeducation programs, and the psychological impact in patients who are free to move about, further improving tolerance. Finally, cyclic enteral nutrition is adapted to enteral nutrition programs conducted in the patient's homes. PMID:8729381

  14. Experimental and ab initio study on structures and internal barriers to rotation in α-stannyl, germanium, and silicon carbamates

    NASA Astrophysics Data System (ADS)

    Jadidi, Khosrow; Khaligh, Nader Ghaffari; Islami, Parisa; Aryan, Reza; Arvin-Nezhad, Hamid

    2009-02-01

    A detailed study of structural parameters and internal rotational barriers in α-stannyl, germanium and silicon carbamates 1 [H 3 CX-CH 2-N(Me)CO 2Me X dbnd C, Si, Ge, Sn] were calculated at HF/6-311G, HF/3-21G and B3LYP/3-21G//HF/3-21G levels and compared with DNMR data of synthesized molecules and a literature X-ray data. Two minimum-energy conformers, namely A and B, with almost similar energies were found for these molecules. Effect of heteroatom on structure and relative energies ( Erel) between the participants in the conformational equilibrium (A ↔ B) of these carbamates has been investigated.

  15. Rotating plug bearing and seal

    DOEpatents

    Wade, Elman E.

    1977-01-01

    A bearing and seal structure for nuclear reactors utilizing rotating plugs above the nuclear reactor vessel. The structure permits lubrication of bearings and seals of the rotating plugs without risk of the lubricant draining into the reactor vessel below. The structure permits lubrication by utilizing a rotating outer race bearing.

  16. Pyrolysis of sulfur tetrafluoride over boron: Excited-state rotational spectra and equilibrium structure of fluorothioborine (FBS)

    NASA Astrophysics Data System (ADS)

    Bizzocchi, L.; Esposti, C. Degli

    2001-10-01

    The unstable FBS molecule has been produced in the gas phase by a high-temperature reaction between crystalline boron and sulfur tetrafluoride. Its rotational spectrum has been observed in the millimeter-wave region, from 75 to 460 GHz, for different isotopic species and vibrational states. All the excited states which approximately lie below 1700 cm-1, that are 1000 (F-B stretch), 0110 (FBS bend), 0001 (B=S stretch), 2000, 0200, 0220, 0310, 0330, 0400, 0420, 0440, 1110, 1200, and 1220, have been investigated for the most abundant isotopomer F11B32S. The analysis of the spectra has been performed taking simultaneously into account the Fermi interaction which couples the states ν1,ν2,ν3 with ν1-1, ν2+2,ν3, and l-type resonances between different sublevels of a given vibrational bending state. This procedure allowed us to calculate directly deperturbed parameters and, in addition, yielded reliable estimates of the vibrational energy difference between the interacting levels and of the normal coordinate cubic force constant k122. Rotational spectra in the ground and various excited states have been also recorded and analyzed for the less abundant isotopic species F10B32S, F11B34S, F10B34S, F11B33S, and F10B33S. The very weak spectrum in the 0001 state was successfully observed for the pair of isotopomers F11B32S and F10B32S, whose equilibrium rotational constants could be accurately calculated yielding the first evaluation of the equilibrium structure of fluorothioborine: re(F-B)=1.2762±0.0002 Å and re(B=S)=1.6091±0.0002 Å.

  17. Antimicrobial Cyclic Peptides for Plant Disease Control

    PubMed Central

    Lee, Dong Wan; Kim, Beom Seok

    2015-01-01

    Antimicrobial cyclic peptides derived from microbes bind stably with target sites, have a tolerance to hydrolysis by proteases, and a favorable degradability under field conditions, which make them an attractive proposition for use as agricultural fungicides. Antimicrobial cyclic peptides are classified according to the types of bonds within the ring structure; homodetic, heterodetic, and complex cyclic peptides, which in turn reflect diverse physicochemical features. Most antimicrobial cyclic peptides affect the integrity of the cell envelope. This is achieved through direct interaction with the cell membrane or disturbance of the cell wall and membrane component biosynthesis such as chitin, glucan, and sphingolipid. These are specific and selective targets providing reliable activity and safety for non-target organisms. Synthetic cyclic peptides produced through combinatorial chemistry offer an alternative approach to develop antimicrobials for agricultural uses. Those synthesized so far have been studied for antibacterial activity, however, the recent advancements in powerful technologies now promise to provide novel antimicrobial cyclic peptides that are yet to be discovered from natural resources. PMID:25774105

  18. Cyclic membrane separation process

    DOEpatents

    Bowser, John

    2004-04-13

    A cyclic process for controlling environmental emissions of volatile organic compounds (VOC) from vapor recovery in storage and dispensing operations of liquids maintains a vacuum in the storage tank ullage. In one of a two-part cyclic process ullage vapor is discharged through a vapor recovery system in which VOC are stripped from vented gas with a selectively gas permeable membrane. In the other part, the membrane is inoperative while gas pressure rises in the ullage. Ambient air is charged to the membrane separation unit during the latter part of the cycle.

  19. Flow in cyclic cosmology

    SciTech Connect

    Kinney, William H.; Dizgah, Azadeh Moradinezhad

    2010-10-15

    In this paper, we use a known duality between expanding and contracting cosmologies to construct a dual of the inflationary flow hierarchy applicable to contracting cosmologies such as ekpyrotic and cyclic models. We show that the inflationary flow equations are invariant under the duality and therefore apply equally well to inflation or to cyclic cosmology. We construct a self-consistent small-parameter approximation dual to the slow-roll approximation in inflation, and calculate the power spectrum of perturbations in this limit. We also recover the matter-dominated contracting solution of Wands, and the recently proposed adiabatic ekpyrosis solution.

  20. Cyclic membrane separation process

    DOEpatents

    Nemser, Stuart M.

    2005-05-03

    A cyclic process for controlling environmental emissions of volatile organic compounds (VOC) from vapor recovery in storage and dispensing operations of liquids maintains a vacuum in the storage tank ullage. In the first part of a two-part cyclic process ullage vapor is discharged through a vapor recovery system in which VOC are stripped from vented gas with a selectively gas permeable membrane. In the second part, the membrane is inoperative while gas pressure rises in the ullage. In one aspect of this invention, a vacuum is drawn in the membrane separation unit thus reducing overall VOC emissions.

  1. Cyclic depsipeptides as potential cancer therapeutics.

    PubMed

    Kitagaki, Jirouta; Shi, Genbin; Miyauchi, Shizuka; Murakami, Shinya; Yang, Yili

    2015-03-01

    Cyclic depsipeptides are polypeptides in which one or more amino acid is replaced by a hydroxy acid, resulting in the formation of at least one ester bond in the core ring structure. Many natural cyclic depsipeptides possessing intriguing structural and biological properties, including antitumor, antifungal, antiviral, antibacterial, anthelmintic, and anti-inflammatory activities, have been identified from fungi, plants, and marine organisms. In particular, the potent effects of cyclic depsipeptides on tumor cells have led to a number of clinical trials evaluating their potential as chemotherapeutic agents. Although many of the trials have not achieved the desired results, romidepsin (FK228), a bicyclic depsipeptide that inhibits histone deacetylase, has been shown to have clinical efficacy in patients with refractory cutaneous T-cell lymphoma and has received Food and Drug Administration approval for use in treatment. In this review, we discuss antitumor cyclic depsipeptides that have undergone clinical trials and focus on their structural features, mechanisms, potential applications in chemotherapy, and pharmacokinetic and toxicity data. The results of this study indicate that cyclic depsipeptides could be a rich source of new cancer therapeutics. PMID:25419631

  2. Block Copolymer Modified Epoxy Amine System for Reactive Rotational Molding: Structures, Properties and Processability

    NASA Astrophysics Data System (ADS)

    Lecocq, Eva; Nony, Fabien; Tcharkhtchi, Abbas; Gérard, Jean-François

    2011-05-01

    Poly(styrene-butadiene-methylmethacrylate) (SBM) and poly(methylmethacrylate-butyle-acrylate-methylmethacrylate) (MAM) triblock copolymers have been dissolved in liquid DGEBA epoxy resin which is subsequently polymerized by meta-xylene diamine (MXDA) or Jeffamine EDR-148. A chemorheology study of these formulations by plate-plate rheology and by thermal analysis has allowed to conclude that the addition of these copolymer blocks improve the reactive rotational moulding processability without affecting the processing time. Indeed, it prevents the pooling of the formulation at the bottom of the mould and a too rapid build up of resin viscosity of these thermosetting systems. The morphology of the cured blends examined by scanning electron microscopy (SEM) shows an increase of fracture surface area and thereby a potential increase of the toughness with the modification of epoxy system. Dynamic mechanical spectroscopy (DMA) and opalescence of final material show that the block PMMA, initially miscible, is likely to induce phase separation from the epoxy-amine matrix. Thereby, the poor compatibilisation between the toughener and the matrix has a detrimental effect on the tensile mechanical properties. The compatibilisation has to be increased to improve in synergy the processability and the final properties of these block copolymer modified formulations. First attempts could be by adapting the length and ratio of each block.

  3. Pseudo-Newtonian models for the equilibrium structures of rotating relativistic stars

    NASA Astrophysics Data System (ADS)

    Kim, Jinho; Il Kim, Hee; Mok Lee, Hyung

    2009-10-01

    We obtain equilibrium solutions for rotating compact stars, including special relativistic effects. The gravity is assumed to be Newtonian, but we use the active mass density, which takes into account all energies such as the motion of the fluid, internal energy and pressure energy in addition to the rest-mass energy, in computing the gravitational potential using Poisson's equation. Such a treatment could be applicable to neutron stars with relativistic motions or a relativistic equation of state. We applied Hachisu's self-consistent field (SCF) method to find spheroidal as well as toroidal sequences of equilibrium solutions. Our solutions show better agreement with general relativistic solutions than the Newtonian relativistic hydrodynamic approach, which does not take into account the active mass. Physical quantities such as the peak density and equatorial radii in our solutions agree with the general relativistic ones to within 5 per cent. Therefore our approach can be used as a simple alternative to the fully relativistic one when a large number of model calculations is necessary, as it requires much fewer computational resources.

  4. Structures of the Lowest Energy Nonamer and Decamer Water Clusters from Chirped-Pulse Rotational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Perez, Cristobal; Pate, Brooks H.; Kisiel, Zbigniew; Temelso, Berhane; Shields, George C.

    2013-06-01

    In the breakthrough paper reporting observation and analysis of pure rotational spectra of the hexamer, heptamer and nonamer water clusters only one nonamer species was identified. The advances in this experiment, as described in the previous talk, allowed identification, among others, of five different nonamer, (H_2O)_9, conformers and of four different decamer, (H_2O)_{10}, conformers. Analysis of ^{18}O enriched spectra resulted in determination of oxygen framework geometries for three of the water nonamers and two of the water decamers. Determination of experimental geometries proved considerably more challenging than for the lighter clusters since isotopic changes to moments of inertia are proportionally smaller, and there are multiple instances of near-zero principal coordinates. There are also more indications of the effect of internal motions. These problems have been overcome by careful application of r_s and least-squares r_m techniques in concert with ab initio calculations so that it was possible to match the experimental and theoretical geometries unambiguously. The precise oxygen framework geometries obtained from chirped-pulse spectroscopy for water clusters ranging in size from the hexamer to the decamer allow, for the first time, to identify some common features of the underlying hydrogen bonding from direct experimental evidence. C. Perez, M. T. Muckle, D. P. Zaleski, N. A. Seifert, B. Temelso, G. C. Shields, Z. Kisiel, and B. H. Pate, Science {336}, 897 (2012).

  5. Computation by symmetry operations in a structured model of the brain: Recognition of rotational invariance and time reversal

    NASA Astrophysics Data System (ADS)

    McGrann, John V.; Shaw, Gordon L.; Shenoy, Krishna V.; Leng, Xiaodan; Mathews, Robert B.

    1994-06-01

    Symmetries have long been recognized as a vital component of physical and biological systems. What we propose here is that symmetry operations are an important feature of higher brain function and result from the spatial and temporal modularity of the cortex. These symmetry operations arise naturally in the trion model of the cortex. The trion model is a highly structured mathematical realization of the Mountcastle organizational principle [Mountcastle, in The Mindful Brain (MIT, Cambridge, 1978)] in which the cortical column is the basic neural network of the cortex and is comprised of subunit minicolumns, which are idealized as trions with three levels of firing. A columnar network of a small number of trions has a large repertoire of quasistable, periodic spatial-temporal firing magic patterns (MP's), which can be excited. The MP's are related by specific symmetries: Spatial rotation, parity, ``spin'' reversal, and time reversal as well as other ``global'' symmetry operations in this abstract internal language of the brain. These MP's can be readily enhanced (as well as inherent categories of MP's) by only a small change in connection strengths via a Hebb learning rule. Learning introduces small breaking of the symmetries in the connectivities which enables a symmetry in the patterns to be recognized in the Monte Carlo evolution of the MP's. Examples of the recognition of rotational invariance and of a time-reversed pattern are presented. We propose the possibility of building a logic device from the hardware implementation of a higher level architecture of trion cortical columns.

  6. Cyclic Voltammetry Experiment.

    ERIC Educational Resources Information Center

    Van Benschoten, James J.; And Others

    1983-01-01

    Describes a three-part experiment designed to introduce cyclic voltammetry to graduate/undergraduate students. Part 1 demonstrates formal reduction potential, redox electron transfer, diffusion coefficient, and electrochemical reversibility. Part 2 investigates electrochemical behavior of acetaminophen. Part 3 examines such experimental variables…

  7. Effect of low viscous nondipolar solvent on the rotational diffusion of structurally similar nondipolar solutes in an ionic liquid.

    PubMed

    Prabhu, Sugosh R; Dutt, G B

    2015-02-01

    Fluorescence anisotropies of two structurally similar nondipolar solutes, 2,5-dimethyl-1,4-dioxo-3,6-diphenylpyrrolo[3,4-c]pyrrole (DMDPP) and 1,4-dioxo-3,6-diphenylpyrrolo[3,4-c]pyrrole (DPP), have been measured in 1-methyl-3-octylimidazolium hexafluorophosphate-dibenzyl ether ([MOIM][PF6]-DBE) mixtures to understand how the addition of a low viscous nondipolar solvent influences solute rotation. The data when analyzed with Stokes-Einstein-Debye hydrodynamic theory reveals that the measured reorientation times of DMDPP are closer to the predictions of slip boundary condition, whereas those of DPP follow stick hydrodynamics. This outcome arises due to specific interactions between DPP and the solvent medium. Nevertheless, the important result of this study is that the rotational diffusion of DMDPP becomes gradually slower with an increase in the mole fraction of DBE (xDBE) for a given viscosity and temperature. In contrast, such a trend is not noticed for the hydrogen-bond donating solute DPP. Instead, two sets of reorientation times have been obtained, one corresponding to xDBE = 0.0-0.2 and the other xDBE = 0.4-1.0. The results for DMDPP have been rationalized on the basis of the organized structure of [MOIM][PF6], which attains homogeneity at the microscopic level with an increase in xDBE. In case of DPP, however, the propensity of the solute to be in the neighborhood of DBE, as a consequence of its stronger hydrogen bond accepting ability compared to the ionic liquid, appears to be the reason for the observed behavior. PMID:25581072

  8. Semiclassical shell-structure moment of inertia for equilibrium rotation of a simple Fermi system

    SciTech Connect

    Magner, A. G.; Sitdikov, A. S. Khamzin, A. A.; Bartel, J.

    2010-08-15

    Semiclassical shell-structure components of the collectivemoment of inertia are derived within the mean-field cranking model in the adiabatic approximation in terms of the free-energy shell corrections through those of a rigid body for the statistically equilibriumrotation of a Fermi system at finite temperature by using the nonperturbative extended Gutzwiller periodic-orbit theory. Their analytical structure in terms of the equatorial and 3-dimensional periodic orbits for the axially symmetric harmonic oscillator potential is in perfect agreement with the quantum results for different critical bifurcation deformations and different temperatures.

  9. Titan’s internal structure inferred from its gravity field, shape, and rotation state

    NASA Astrophysics Data System (ADS)

    Baland, Rose-Marie; Tobie, Gabriel; Lefèvre, Axel; Van Hoolst, Tim

    2014-07-01

    Several quantities measured by the Cassini-Huygens mission provide insight into the interior of Titan: the second-degree gravity field coefficients, the shape, the tidal Love number, the electric field, and the orientation of its rotation axis. The measured obliquity and tides, as well as the electric field, are evidence for the presence of an internal global ocean beneath the icy shell of Titan. Here we use these different observations together to constrain the density profile assuming a four-layer interior model (ice I shell, liquid water ocean, high pressure ice mantle, and rock core). Even though the observed second degree gravity field is consistent with the hydrostatic relation J2=10C22/3, which is a necessary but not sufficient condition for a synchronous satellite to be in hydrostatic equilibrium, the observed shape of the surface as well as the non-zero degree-three gravity signal indicate some departure from hydrostaticity. Therefore, we do not restrain our range of assumed density profiles to those corresponding to the hydrostatic value of the moment of inertia (0.34). From a range of density profiles consistent with the radius and mass of the satellite, we compute the obliquity of the Cassini state and the tidal Love number k2. The obliquity is computed from a Cassini state model for a satellite with an internal liquid layer, each layer having an ellipsoidal shape consistent with the measured surface shape and gravity field. The observed (nearly hydrostatic) gravity field is obtained by an additional deflection of the ocean-ice I shell interface, assuming that the layers have uniform densities. We show that the measured obliquity can be reproduced only for internal models with a dense ocean (between 1275 and 1350 kg m-3) above a differentiated interior with a full separation of rock and ice. We obtain normalized moments of inertia between 0.31 and 0.33, significantly lower than the expected hydrostatic value (0.34). Evolutionary mechanisms leading to a

  10. Seismic Load Rating Procedure for Welded Steel Frames Oligo-cyclic Fatigue

    SciTech Connect

    Ratiu, Mircea D.; Moisidis, Nicolae T.

    2004-07-01

    A dynamic load rating approach for seismic qualification of cold-formed steel welded frames is presented. Allowable seismic loads are developed from cyclic and monotonic tests of standard cold-formed steel components commonly used for piping and electrical raceway supports. The method permits simplified qualification of all connections of frame components through a single load comparison. Test input consists of rotation/cycles-to-failure data and monotonic moment/rotation data. Cyclic data are statistically evaluated to determine an acceptable maximum seismic rotation for the connection. The allowable seismic load is determined from the corresponding static rotation. Application to seismic qualification procedures is discussed. (authors)

  11. Effect of cyclic tensile load on the regulation of the expression of matrix metalloproteases (MMPs -1, -3) and structural components in synovial cells

    PubMed Central

    Raïf, El Mostafa

    2008-01-01

    Synovial cells are reported to colonize synthetic ligament scaffolds following anterior cruciate ligament (ACL) reconstruction but the process leading to ligamentization is poorly understood. The present study investigated the effect of cyclic tensile strain on the expression of genes involved in matrix remodelling in bovine synovial cells seeded onto an artificial ligament scaffold. Synovial cells were seeded and cultured on polyester scaffolds for 3 weeks and subsequently subjected to cyclic tensile strain of 4.5% for 1 hr at frequency of 1 Hz. Changes in the levels of expression of genes for major ligament components (type I and type III collagen) and also metalloproteinases (MMP-1 and MMP-3), and TIMP-1 were examined using RT-PCR. Additionally, metalloproteinase activity was measured using both zymography and collagenase assays. The gene expression of MMP-3 transcripts in the loaded group was almost 3-fold that observed in control group but no differences were observed in other transcripts. Consistent with these findings, MMP-3 activity increased by 85% under mechanical stimulus, and MMP-1 activity showed no changes. Over expression of MMP-3 under cyclic tensile load may mediate the proteolysis of certain substrates surrounding the ligament scaffold. This will play a critical role in facilitating cell migration, proliferation and tissue remodelling by breaking down the provisional tissue formed by the synovium, and by generating factors that induce angiogenesis and chemotactic cell migration. PMID:18208560

  12. A structural basis for the regulation of an H-NOX-associated cyclic-di-GMP synthase/phosphodiesterase enzyme by nitric oxide-bound H-NOX.

    PubMed

    Lahiri, Tanaya; Luan, Bowu; Raleigh, Daniel P; Boon, Elizabeth M

    2014-04-01

    Biofilms are surface-attached communities of bacteria enclosed in a polysaccharide matrix. Bacteria in a biofilm are extremely resistant to antibiotics. Several recent reports have linked the signaling molecule nitric oxide (NO) with biofilm dispersal. We have previously reported that an H-NOX (heme-nitric oxide/oxygen binding) protein in the biofilm-dwelling bacterium Shewanella woodyi mediates NO-induced biofilm dispersal. In S. woodyi, H-NOX (SwH-NOX) is cocistronic with a gene encoding a dual-functioning diguanylate cyclase/phosphodiesterase enzyme, designated here as HaCE (H-NOX-associated cyclic-di-GMP processing enzyme). Enzymes such as these are responsible for regulating the intracellular concentrations of cyclic-di-GMP, a secondary signaling molecule essential to biofilm formation in bacteria. We have demonstrated that NO-bound SwH-NOX regulates both enzymatic activities of SwHaCE, resulting in decreased cellular cyclic-di-GMP levels and disruption of biofilm formation. Thus, H-NOX/HaCE represents a potential drug target for regulating biofilm formation. In this work, the SwH-NOX surface residues critical for the formation of a protein complex with SwHaCE are identified using nuclear magnetic resonance, fluorescence quenching, and cosedimentation. Enzyme assays confirm this protein-protein interface and its importance for H-NOX/HaCE function. PMID:24628400

  13. A Structural Basis for the Regulation of an H-NOX-Associated Cyclic-di-GMP Synthase/Phosphodiesterase Enzyme by Nitric Oxide-Bound H-NOX

    PubMed Central

    2015-01-01

    Biofilms are surface-attached communities of bacteria enclosed in a polysaccharide matrix. Bacteria in a biofilm are extremely resistant to antibiotics. Several recent reports have linked the signaling molecule nitric oxide (NO) with biofilm dispersal. We have previously reported that an H-NOX (heme-nitric oxide/oxygen binding) protein in the biofilm-dwelling bacterium Shewanella woodyi mediates NO-induced biofilm dispersal. In S. woodyi, H-NOX (SwH-NOX) is cocistronic with a gene encoding a dual-functioning diguanylate cyclase/phosphodiesterase enzyme, designated here as HaCE (H-NOX-associated cyclic-di-GMP processing enzyme). Enzymes such as these are responsible for regulating the intracellular concentrations of cyclic-di-GMP, a secondary signaling molecule essential to biofilm formation in bacteria. We have demonstrated that NO-bound SwH-NOX regulates both enzymatic activities of SwHaCE, resulting in decreased cellular cyclic-di-GMP levels and disruption of biofilm formation. Thus, H-NOX/HaCE represents a potential drug target for regulating biofilm formation. In this work, the SwH-NOX surface residues critical for the formation of a protein complex with SwHaCE are identified using nuclear magnetic resonance, fluorescence quenching, and cosedimentation. Enzyme assays confirm this protein–protein interface and its importance for H-NOX/HaCE function. PMID:24628400

  14. Coupled translation-rotation eigenstates of H2, HD, and D2 in the large cage of structure II clathrate hydrate: comparison with the small cage and rotational Raman spectroscopy.

    PubMed

    Xu, Minzhong; Sebastianelli, Francesco; Bacić, Zlatko

    2009-07-01

    We report fully coupled quantum five-dimensional calculations of the translation-rotation (T-R) energy levels of one H(2), HD, and D(2) molecule confined inside the large hexakaidecahedral (5(12)6(4)) cage of the structure II clathrate hydrate. Highly converged T-R eigenstates have been obtained for excitation energies beyond the j = 2 rotational levels of the guest molecules, in order to allow comparison with the recent Raman spectroscopic measurements. The translationally excited T-R states are assigned with the quantum numbers n and l of the 3D isotropic harmonic oscillator. However, the translational excitations are not harmonic, since the level energies depend not only on n but also on l. For l > 1, the T-R levels having the same n,l values are split into groups of almost degenerate levels. The splitting patterns follow the predictions of group theory for the environment of T(d) symmetry, which is created by the configuration of the oxygen atoms of the large cage. The 2j + 1 degeneracy of the j = 1 and 2 rotational levels of the encapsulated hydrogen molecule is lifted entirely by the angular anisotropy of the H(2)-cage interaction potential. The patterns and magnitudes of the j = 1, 2 rotational level splittings, and the energies of the sublevels, in the large cage are virtually identical with those calculated for the small cage. This is in agreement with, and sheds light on, the observation that the S(0)(0) (j = 0-->2) bands in the rotational Raman spectra measured for simple H(2) hydrate and the binary hydrate of H(2) with tetrahydrofuran are remarkably similar with respect to their frequencies, widths, shapes, and internal structure, when the H(2) occupancy of the large cage of simple H(2) hydrate is low. PMID:19552479

  15. One common structural peculiarity of the Solar system bodies including the star, planets, satellites and resulting from their globes rotation

    NASA Astrophysics Data System (ADS)

    Kochemasov, , G. G.

    2008-09-01

    Often observed a sensible difference in appearance and structure between tropical and extra-tropical zones of various heavenly bodies including rocky and gas planets, satellites and Sun compels to look for a common reason of such phenomenon. All bodies rotate and their spherical shape makes zones at different latitudes to have differing angular momenta as a distance to the rotation axis diminishes gradually from the equator to the poles (this is felt particularly when one launches rockets into space -preferable more cheap launches are from the equatorial regions - Kourou is better than Baikonur). One of remarkable changes occurs at tropics. As a single rotating planetary body tends to have angular momenta of its tectonic blocks equilibrated it starts mechanisms leveling this basic physical property. At tropical zones (bulged also due to the rotation ellipsoid) the outer shell - crust as a consequence tends to be destroyed, sunk, subsided and shrunk; a density of crust material changes; the atmosphere reacts changing chemistry and structure; in terrestrial anthroposphere man looses its mass and stature. But according to the Le Chatelier rule mechanisms with an opposing tendency also begin to act. At Earth the wide planetary long tropical zone is marked by destruction of the crust. It is demonstrated by development of numerous islands of the Malay Archipelago (the Sunda Isls., Maluku Isls, Philippines) between the Southeastern Asia and Australia. In Africa and South America huge depressions of the Congo and Amazon Rivers develops where the Archean crust is subsided to depths of more than 2 km. In the Pacific along the equator numerous islands of Micronesia occur. Subsidence of the basaltic oceanic crust is followed by an intensive folding and faulting of basalt and sedimentary layers (Fig. 1) as a larger mass must be held by a smaller space (a planetary radius is diminished). The central Atlantic is very demonstrative in this sense suffering huge transform fault

  16. [THE MODEL OF NUCLEOSOME STRUCTURE BASED ON THE LOCAL ROTATION OF THE NUCLEOHISTONE CHAIN, WHICH INDUCES ITS FOLDING].

    PubMed

    Priyatkina, T N

    2015-01-01

    An alternative model to the "double turn of DNA on the histone core" approach is forwarded based on the biochemical, cytological, and crystallographic data on the structural organization of the chromatin units--nucleosomes. The model assumes that the initial structure is a linear nucleohistone cord with a repeating symmetrical histone sequence. The compact (core) particle (a minimal nucleosome) is forming upon a stepwise rotation of DNA (kinks) at the centre and at two symmetrical sites into each repeating fragment stemming from the electrostatic binding of the lysine ε-NH2-groups with the followed one by one phosphates of the sugar-phosphate chain. As a result, we have a rhomboid structure composed of two counter-symmetrical DNA folds stabilized by histone-histone interactions. Based on disposable data, the histone sequence along nucleosome DNA is deduced. The following characteristics of the sequence are considered: continuity, non-overlapping, versatility, and dyadic symmetry in dispose of two every kind histone molecules and the sequence on the whole. The model is in agreement with a topology of nucleosome DNA, as well as the pattern of DNA-histone and histone-histone interactions in chromatin. PMID:26495705

  17. Cyclic Simple Shear in a Two-Dimensional Granular System

    NASA Astrophysics Data System (ADS)

    Ren, Jie; Dijksman, Joshua; Behringer, Robert

    2011-11-01

    We study the irreversibility transition observed by Pine et al (2005) in a 2D dry granular system, for which our novel experimental apparatus can create quasi-static, quasi-uniform simple shear. We use bi-disperse, photo-elastic disks and expose them to a large number of small amplitude shear cycles. We track the particles dynamics over time and evaluate their translational and rotational motion, as well as the inter-particle forces. We have found that both translational and rotational diffusivity increase rapidly when the system's particle density exceeds a certain threshold. This is an indication of the existence of an irreversibility transition. Interestingly, we have found this density threshold to be dependent on the amplitude of cyclic shear, but always smaller than the density for the isotropic jamming transition. To further understand this irreversibility transition, we analyze the system's structural and force evolution. NSF grants: DMR0906908, DMS0835571, NASA grant NNX10AU01G, and ARO grant W911NF-11-1-0110.

  18. Modeling rapidly rotating stars

    NASA Astrophysics Data System (ADS)

    Rieutord, M.

    2006-06-01

    We review the quest of modeling rapidly rotating stars during the past 40 years and detail the challenges to be taken up by models facing new data from interferometry, seismology, spectroscopy... We then present the progress of the ESTER project aimed at giving a physically self-consistent model for the structure and evolution of rapidly rotating stars.

  19. Interpretation of tandem mass spectra obtained from cyclic nonribosomal peptides.

    PubMed

    Liu, Wei-Ting; Ng, Julio; Meluzzi, Dario; Bandeira, Nuno; Gutierrez, Marcelino; Simmons, Thomas L; Schultz, Andrew W; Linington, Roger G; Moore, Bradley S; Gerwick, William H; Pevzner, Pavel A; Dorrestein, Pieter C

    2009-06-01

    Natural and non-natural cyclic peptides are a crucial component in drug discovery programs because of their considerable pharmaceutical properties. Cyclosporin, microcystins, and nodularins are all notable pharmacologically important cyclic peptides. Because these biologically active peptides are often biosynthesized nonribosomally, they often contain nonstandard amino acids, thus increasing the complexity of the resulting tandem mass spectrometry data. In addition, because of the cyclic nature, the fragmentation patterns of many of these peptides showed much higher complexity when compared to related counterparts. Therefore, at the present time it is still difficult to annotate cyclic peptides MS/MS spectra. In this current work, an annotation program was developed for the annotation and characterization of tandem mass spectra obtained from cyclic peptides. This program, which we call MS-CPA is available as a web tool (http://lol.ucsd.edu/ms-cpa_v1/Input.py). Using this program, we have successfully annotated the sequence of representative cyclic peptides, such as seglitide, tyrothricin, desmethoxymajusculamide C, dudawalamide A, and cyclomarins, in a rapid manner and also were able to provide the first-pass structure evidence of a newly discovered natural product based on predicted sequence. This compound is not available in sufficient quantities for structural elucidation by other means such as NMR. In addition to the development of this cyclic annotation program, it was observed that some cyclic peptides fragmented in unexpected ways resulting in the scrambling of sequences. In summary, MS-CPA not only provides a platform for rapid confirmation and annotation of tandem mass spectrometry data obtained with cyclic peptides but also enables quantitative analysis of the ion intensities. This program facilitates cyclic peptide analysis, sequencing, and also acts as a useful tool to investigate the uncommon fragmentation phenomena of cyclic peptides and aids the

  20. Scale invariant density perturbations from cyclic cosmology

    NASA Astrophysics Data System (ADS)

    Frampton, Paul Howard

    2016-04-01

    It is shown how quantum fluctuations of the radiation during the contraction era of a comes back empty (CBE) cyclic cosmology can provide density fluctuations which re-enter the horizon during the subsequent expansion era and at lowest order are scale invariant, in a Harrison-Zel’dovich-Peebles sense. It is necessary to be consistent with observations of large scale structure.

  1. Numerical parameter survey of non-radiative black hole accretion: flow structure and variability of the rotation measure

    NASA Astrophysics Data System (ADS)

    Pang, Bijia; Pen, Ue-Li; Matzner, Christopher D.; Green, Stephen R.; Liebendörfer, Matthias

    2011-08-01

    We conduct a survey of numerical simulations to probe the structure and appearance of non-radiative black hole accretion flows like the supermassive black hole at the Galactic Centre. We find a generic set of solutions, and make specific predictions for currently feasible rotation measure (RM) observations, which are accessible to current instruments including the Expanded Very Large Array (EVLA), Giant Metrewave Radio Telescope (GMRT) and Atacama Large Millimeter Array (ALMA). The slow time variability of the RM is a key quantitative signature of this accretion flow. The time variability of RM can be used to quantitatively measure the nature of the accretion flow, and to differentiate models. Sensitive measurements of RM can be achieved using RM synthesis or using pulsars. Our energy conserving ideal magnetohydrodynamical simulations, which achieve high dynamical range by means of a deformed-mesh algorithm, stretch from several Bondi radii to about one-thousandth of that radius, and continue for tens of Bondi times. Magnetized flows which lack outward convection possess density slopes around -1, almost independent of physical parameters, and are more consistent with observational constraints than are strongly convective flows. We observe no tendency for the flows to become rotationally supported in their centres, or to develop steady outflow. We support these conclusions with formulae which encapsulate our findings in terms of physical and numerical parameters. We discuss the relation of these solutions to other approaches. The main potential uncertainties are the validity of ideal magnetohydrodynamic and the absence of a fully relativistic inner boundary condition. The RM variability predictions are testable with current and future telescopes.

  2. Rotational moulding.

    PubMed

    Crawford, R J; Kearns, M P

    2003-10-01

    Rotational moulding promises designers attractive economics and a low-pressure process. The benefits of rotational moulding are compared here with other manufacturing methods such as injection and blow moulding. PMID:14603714

  3. Rotating Vesta

    NASA Video Gallery

    Astronomers combined 146 exposures taken by NASA's Hubble SpaceTelescope to make this 73-frame movie of the asteroid Vesta's rotation.Vesta completes a rotation every 5.34 hours.› Asteroid and...

  4. Multi-source energy harvester to power sensing hardware on rotating structures

    SciTech Connect

    Schlichting, Alezander D; Ouellette, Scott; Carlson, Clinton P; Farinholt, Kevin M; Park, Gyuhae; Farrar, Charles

    2010-01-01

    The U.S. Department of Energy (DOE) proposes to meet 20% of the nation's energy needs through wind power by the year 2030. To accomplish this goal, the industry will need to produce larger (> 100m diameter) turbines to increase efficiency and maximize energy production. It will be imperative to instrument the large composite structures with onboard sensing to provide structural health monitoring capabilities to understand the global response and integrity of these systems as they age. A critical component in the deployment of such a system will be a robust power source that can operate for the lifespan of the wind turbine. In this paper we consider the use of discrete, localized power sources that derive energy from the ambient (solar, thermal) or operational (kinetic) environment. This approach will rely on a multi-source configuration that scavenges energy from photovoltaic and piezoelectric transducers. Each harvester is first characterized individually in the laboratory and then they are combined through a multi-source power conditioner that is designed to combine the output of each harvester in series to power a small wireless sensor node that has active-sensing capabilities. The advantages/disadvantages of each approach are discussed, along with the proposed design for a field ready energy harvester that will be deployed on a small-scale 19.8m diameter wind turbine.

  5. Spectroscopic study on deuterated benzenes. II. High-resolution laser spectroscopy and rotational structure in the S{sub 1} state

    SciTech Connect

    Kunishige, Sachi; Katori, Toshiharu; Baba, Masaaki; Hayashi, Masato; Hasegawa, Hirokazu; Ohshima, Yasuhiro

    2015-12-28

    High-resolution spectra of the S{sub 1}←S{sub 0} transition in jet-cooled deuterated benzenes were observed using pulse dye amplification of single-mode laser light and mass-selective resonance enhanced multiphoton ionization (REMPI) detection. The vibrational and rotational structures were accurately analyzed for the vibronic levels in the S{sub 1} state. The degenerate 6{sup 1} levels of C{sub 6}H{sub 6} or C{sub 6}D{sub 6} are split into 6a{sup 1} and 6b{sup 1} in many of deuterated benzenes. The rigid-rotor rotational constants were assessed and found to be slightly different between 6a and 6b because of different mean molecular structures. Their rotational levels are significantly shifted by Coriolis interactions. It was found that the Coriolis parameter proportionally changed with the number of substituted D atoms.

  6. Simulation of self-organization processes in crystal-forming systems: Supramolecular cyclic R6 cluster precursors and self-assembly of TeO2- TEL ( Tellurite) and TeO2- PAR ( Paratellurite) structures

    NASA Astrophysics Data System (ADS)

    Ilyushin, G. D.

    2014-11-01

    The supramolecular chemistry of oxides of sp elements (SO2, SeO2, and TeO2) is considered. The self-assembly of TeO2- TEL ( Tellurite) and TeO2- PAR ( Paratellurite) crystal structures is simulated. Methods of combinatorial and topological analysis (TOPOS program package) are applied which are based on constructing a basis 3D network of the structure in the form of a graph, the sites of which correspond to the positions of centroids of TeO2 molecules and the edges characterize bonds between them. The topological type of the basis 2D network in the TeO2- TEL structure corresponds to graphite (C- GRA), while in the TeO2- PAR structure the basis network corresponds to the 3D diamond network (C- DIA). A nanocluster precursor of cyclic type ( R6) composed of six covalently bound TeO2 molecules (chair conformation) is established for both structures. The desymmetrization of the cyclic structure of the R6 cluster in TeO2- PAR is related to the formation of Te-Te bonds with lengths of 3.824 and 4.062 Å. The symmetry and topology code of the processes of self-assembly of 3D structures from nanocluster precursors is completely reconstructed into the form "primary chain → microlayer → microframework." In both structures R6 clusters form 2D packings with a coordination number of 6. The cluster self-assembly model explains the specific features of the morphogenesis of TeO2- TEL and TeO2- PAR (phases with low and high crystallization temperatures, respectively): platelike shape, perfect cleavage in the (110) plane, and preferred growth in the primar-chain direction [100] in the former case and growth in the direction of the primary [001] axis with the preferred formation of tetragonal prism faces (110) in the latter case.

  7. Investigation of the gas-phase structure and rotational barrier of trimethylsilyl trifluoromethanesulfonate and comparison with covalent sulfonates

    NASA Astrophysics Data System (ADS)

    Defonsi Lestard, María E.; Tuttolomondo, María E.; Varetti, Eduardo L.; Wann, Derek A.; Robertson, Heather E.; Rankin, David W. H.; Altabef, Aida Ben

    2010-12-01

    The molecular structure of trimethylsilyl trifluoromethanesulfonate, CF 3SO 2OSi(CH 3) 3, has been determined in the gas phase from electron-diffraction data supplemented by ab initio (MP2) and DFT calculations using 6-31G(d), 6-311++G(d,p) and 6-311G++(3df,3pd) basis sets. Both experimental and theoretical data indicate that only one gauche conformer is possible by rotating about the O-S bond. The anomeric effect is a fundamental stereoelectronic interaction and presents a profound influence on the electronic geometry. We have investigated the origin of the anomeric effect by means of NBO and AIM analysis. A natural bond orbital analysis showed that the lpπ[O bonded to Si)] → σ *[C-S] hyperconjugative interaction favors the gauche conformation. In addition, comparison of the structural and stereoelectronic properties of the title molecule with those of silyl trifluoromethanesulfonate and methyl trifluoromethanesulfonate has been carried out.

  8. Motion of Dust Structures in the Circumnuclear Region of Comet Hale-Bopp and Rotation of the Cometary Nucleus

    NASA Astrophysics Data System (ADS)

    Churyumov, K. I.; Evtushevskii, A. M.; Kravtsov, F. I.

    2001-01-01

    The motion of dust structures in the circumnuclear region of comet Hale-Bopp is studied. About 270 envelope images were obtained with the AZT-8 reflector (D = 0.7 m, F = 28 m) and the Filin-3 image intensifier. We carried out our observations at the observational station of the Astronomical Observatory of Shevchenko Kiev State University in the village of Lesniki (near Kiev). The recording from the image-intensifier screen was made on Foto-100 film during 23 nights from March 24 to May 10, 1997. The circumnuclear region was imaged both in white light (without filters) and with IHW CO^+ (λ_ef = 426 nm), C_3 (λ_ef = 496 nm), C_2 (λ_ef = 514 nm), and RC (red continuum, λ_ef = 684 nm) narrow-band interference filters. Based on our measurements of the radial expansion of dust structures, we determined the velocities, 0.61-1.99 km s^-1 accelerations, from -18.3 × 10^-3 to 4.0 × 10^-3 m s^-2 and rotation period of the cometary nucleus, 111.41^h +/- 0.05^h.

  9. Hall effects on the steady structure of the rotational layer at the dayside magnetopause

    SciTech Connect

    Westerberg, Lars G.; Aakerstedt, Hans O.

    2007-10-15

    The influence of the Hall term in the generalized Ohm's law on the large-scale plasma flow during conditions of ongoing magnetic reconnection at the dayside magnetopause (MP) is investigated. Of special interest is the plasma flow behavior during the transition of the MP transition layer as the Hall effect grows in proportion to the viscous-resistive effects. The governing equations are solved approximately by an ordinary perturbation expansion in orders of large Reynolds and Lundqvist numbers. It is shown that the flow pattern is strongly dependent on the magnitude of the Hall parameter; as it approaches zero, the viscous-resistive solution is obtained, while for an ordering of the same magnitude as the resistivity/viscosity, the Hall effect begins to affect the flow structure severely. For an increasing value on the Hall parameter, oscillations are brought into the system, an effect that is enhanced with the magnitude of the Hall parameter. Furthermore, it is shown that as the Hall effect begins to dominate, the transition layer thickens.

  10. A Three-dimensional Non-spherical Calculation Of The Rotationally Distorted Shape And Internal Structure Of A Model Of Jupiter With A Polytropic Index Of Unity

    NASA Astrophysics Data System (ADS)

    Zhang, Keke; Kong, D.; Schubert, G.; Anderson, J.

    2012-10-01

    An accurate calculation of the rotationally distorted shape and internal structure of Jupiter is required to understand the high-precision gravitational field that will be measured by the Juno spacecraft now on its way to Jupiter. We present a three-dimensional non-spherical numerical calculation of the shape and internal structure of a model of Jupiter with a polytropic index of unity. The calculation is based on a finite element method and accounts for the full effects of rotation. After validating the numerical approach against the asymptotic solution of Chandrasekhar (1933) that is valid only for a slowly rotating gaseous planet, we apply it to a model of Jupiter whose rapid rotation causes a significant departure from spherical geometry. The two-dimensional distribution of the density and the pressure within Jupiter is then determined via a hybrid inverse approach by matching the a priori unknown coefficient in the equation of state to the observed shape of Jupiter. After obtaining the two-dimensional distribution of Jupiter's density, we then compute the zonal gravity coefficients and the total mass from the non-spherical Jupiter model that takes full account of rotation-induced shape changes. Our non-spherical model with a polytrope of unit index is able to produce the known mass and zonal gravitational coefficients of Jupiter. Chandrasekhar, S. 1933, The equilibrium of distorted polytropes, MNRAS 93, 390

  11. Analysis of the Rotational Structure in the High-Resolution Infrared Spectrum of trans-Hexatriene-1-13C1; a Semiexperimental Equilibrium Structure for the C6 Backbone for trans-Hexatriene

    SciTech Connect

    Craig, Norman C.; Tian, Hengfeng; Blake, Thomas A.

    2012-03-29

    trans-Hexatriene-1-13C1 (tHTE-1-13C1) has been synthesized, and its high-resolution (0.0015 cm-1) infrared spectrum has been recorded. The rotational structure in the C-type bands for v26 at 1011 cm-1 and v30 at 894 cm-1 has been analyzed. To the 1458 ground state combination differences from these bands, ground state rotational constants were fitted to a Watson-type Hamiltonian to give A0 = 0.8728202(9), B0 = 0.0435868(4), and C0 = 0.0415314(2) cm-1. Upper state rotational constants for the v30 band were also fitted. Predictions of the ground state rotational constants for t-HTE-1-13C1 from a B3LYP/cc-pVTZ model with scale factors based on the normal species were in excellent agreement with observations. Similar good agreement was found between predicted and observed ground state rotational constants for the three 13C1 isotopologues of cis-hexatriene (cHTE), as determined from microwave spectroscopy. Equilibrium rotational constants for tHTE and its three 13C1 isotopologues, of which two were predicted, were used to find a semiexperimental equilibrium structure for the C6 backbone of tHTE. This structure shows increased structural effects of pi-electron delocalization in comparison with butadiene.

  12. Coronal structure of the large scale magnetic field and its influence on stellar rotation.

    NASA Astrophysics Data System (ADS)

    Réville, Victor; Brun, Allan Sacha; Matt, Sean; Strugarek, Antoine; Bouvier, Jérôme

    2015-08-01

    The braking of magnetic stars through the extraction of angular momentum by stellar winds has been studied for decades, leading to several formulations as functions of stellar parameters. We recently demonstrated that the dependency of the braking law on the coronal magnetic field topology can be taken into account through a simple scalar parameter : the open magnetic flux. This parameter can be integrated anywhere beyond the last closed coronal loop in steady-state. The Zeeman-Doppler Imaging technique has brought the community a reliable and precise description of the surface magnetic field of distant stars. However reconstruction of the coronal structure of the large scale magnetic field without running costly numerical simulations of the stellar wind is not trivial. An alternative is to use the classical analytical potential field extrapolation to describe the opening of the field lines by the magnetized wind but this technique relies on knowing the so-called radius of the surface source term which must vary from star to star. To resolve this issue, we use our extended set of 2.5D wind simulations published in 2015, to provide a criteria for the field lines opening as well as a simple tool to assess the surface source term radius and the open magnetic flux. This allows us to derive the magnetic torque applied to the star by the wind from any spectropolarimetric observations. We conclude our talk by discussing the case of 3D wind simulations of the BCool sample ; whose surface magnetic field has been obtained by ZDI and to discuss how non-axisymmetry modifies or not our recent findings.

  13. Genetic and Environmental Influences on the Verbal-Perceptual-Image Rotation (VPR) Model of the Structure of Mental Abilities in the Minnesota Study of Twins Reared Apart

    ERIC Educational Resources Information Center

    Johnson, Wendy; Bouchard, Thomas J.; McGue, Matt; Segal, Nancy L.; Tellegen, Auke; Keyes, Margaret; Gottesman, Irving I.

    2007-01-01

    In previous papers [Johnson, W., & Bouchard Jr., T. J. (2005a). Constructive Replication of the Visual-Perceptual-Image Rotation (VPR) Model in Thurstone's (1941) Battery of 60 Tests of Mental Ability. Intelligence, 33, 417-430.] [Johnson, W., & Bouchard Jr., T. J. (2005b). The Structure of Human Intelligence: It's Verbal, perceptual, and image…

  14. Rotating mobile launcher

    NASA Technical Reports Server (NTRS)

    Gregory, T. J.

    1977-01-01

    Apparatus holds remotely piloted arm that accelerates until launching speed is reached. Then vehicle and counterweight at other end of arm are released simultaneously to avoid structural damage from unbalanced rotating forces.

  15. Cyclic strength of hard metals

    SciTech Connect

    Sereda, N.N.; Gerikhanov, A.K.; Koval'chenko, M.S.; Pedanov, L.G.; Tsyban', V.A.

    1986-02-01

    The authors study the strength of hard-metal specimens and structural elements under conditions of cyclic loading since many elements of processing plants, equipment, and machines are made of hard metals. Fatigue tests were conducted on KTS-1N, KTSL-1, and KTNKh-70 materials, which are titanium carbide hard metals cemented with nickel-molybdenum, nickelcobalt-chromium, and nickel-chromium alloys, respectively. As a basis of comparison, the standard VK-15 (WC+15% Co) alloy was used. Some key physicomechanical characteristics of the materials investigated are presented. On time bases not exceeding 10/sup 6/ cycles, titanium carbide hard metals are comparable in fatigue resistance to the standard tungstencontaining hard metals.

  16. Cell reorientation under cyclic stretching.

    PubMed

    Livne, Ariel; Bouchbinder, Eran; Geiger, Benjamin

    2014-01-01

    Mechanical cues from the extracellular microenvironment play a central role in regulating the structure, function and fate of living cells. Nevertheless, the precise nature of the mechanisms and processes underlying this crucial cellular mechanosensitivity remains a fundamental open problem. Here we provide a novel framework for addressing cellular sensitivity and response to external forces by experimentally and theoretically studying one of its most striking manifestations--cell reorientation to a uniform angle in response to cyclic stretching of the underlying substrate. We first show that existing approaches are incompatible with our extensive measurements of cell reorientation. We then propose a fundamentally new theory that shows that dissipative relaxation of the cell's passively-stored, two-dimensional, elastic energy to its minimum actively drives the reorientation process. Our theory is in excellent quantitative agreement with the complete temporal reorientation dynamics of individual cells measured over a wide range of experimental conditions, thus elucidating a basic aspect of mechanosensitivity. PMID:24875391

  17. Cell reorientation under cyclic stretching

    NASA Astrophysics Data System (ADS)

    Livne, Ariel; Bouchbinder, Eran; Geiger, Benjamin

    2014-05-01

    Mechanical cues from the extracellular microenvironment play a central role in regulating the structure, function and fate of living cells. Nevertheless, the precise nature of the mechanisms and processes underlying this crucial cellular mechanosensitivity remains a fundamental open problem. Here we provide a novel framework for addressing cellular sensitivity and response to external forces by experimentally and theoretically studying one of its most striking manifestations—cell reorientation to a uniform angle in response to cyclic stretching of the underlying substrate. We first show that existing approaches are incompatible with our extensive measurements of cell reorientation. We then propose a fundamentally new theory that shows that dissipative relaxation of the cell’s passively-stored, two-dimensional, elastic energy to its minimum actively drives the reorientation process. Our theory is in excellent quantitative agreement with the complete temporal reorientation dynamics of individual cells measured over a wide range of experimental conditions, thus elucidating a basic aspect of mechanosensitivity.

  18. An Early Cyclic Universe

    NASA Astrophysics Data System (ADS)

    Duhe, William; Biswas, Tirthibir

    2014-03-01

    We provide a comprehensive numerical study of the Emergent Cyclic Inflation scenario. This is a scenario where instead of traditional monotonic slow roll inflation, the universe expands over numerous short asymmetric cycles due to the production of entropy via interactions among different species. This is one of the very few scenarios of inflation which provides a nonsingular geodesically complete space-time and does not require any ``reheating'' mechanism. A special thanks to Loyola University for an excellent community to help this project grow.

  19. Interactions of cyclic and non-cyclic naphthalene diimide derivatives with different nucleic acids.

    PubMed

    Czerwinska, Izabella; Sato, Shinobu; Juskowiak, Bernard; Takenaka, Shigeori

    2014-05-01

    Recently, strategy based on stabilization of G-quadruplex telomeric DNA by small organic molecule has been realized by naphthalene diimide derivatives (NDIs). At the same time NDIs bind to DNA duplex as threading intercalators. Here we present cyclic derivative of naphthalene diimide (ligand 1) as DNA-binding ligand with ability to recognition of different structures of telomeric G-quadruplexes and ability to bis-intercalate to double-stranded helixes. The results have been compared to non-cyclic derivative (ligand 2) and revealed that preferential binding of ligands to nucleic acids strongly depends on their topology and structural features of ligands. PMID:24726302

  20. A novel and robust rotation and scale invariant structuring elements based descriptor for pedestrian classification in infrared images

    NASA Astrophysics Data System (ADS)

    Soundrapandiyan, Rajkumar; Chandra Mouli, P. V. S. S. R.

    2016-09-01

    In this paper, a novel and robust rotation and scale invariant structuring elements based descriptor (RSSED) for pedestrian classification in infrared (IR) images is proposed. In addition, a segmentation method using difference of Gaussian (DoG) and horizontal intensity projection is proposed. The three major steps are moving object segmentation, feature extraction and classification of objects as pedestrian or non-pedestrian. The segmentation result is used to extract the RSSED feature descriptor. To extract features, the segmentation result is encoded using local directional pattern (LDP). This helps in the identification of local textural patterns. The LDP encoded image is further quantized adaptively to four levels. Finally the proposed RSSED is used to formalize the descriptor from the quantized image. Support vector machine is employed for classification of the moving objects in a given IR image into pedestrian and non-pedestrian classes. The segmentation results shows the robustness in extracting the moving objects. The classification results obtained from SVM classifier shows the efficacy of the proposed method.

  1. Second generation light-driven molecular motors. Unidirectional rotation controlled by a single stereogenic center with near-perfect photoequilibria and acceleration of the speed of rotation by structural modification.

    PubMed

    Koumura, Nagatoshi; Geertsema, Edzard M; van Gelder, Marc B; Meetsma, Auke; Feringa, Ben L

    2002-05-01

    Nine new molecular motors, consisting of a 2,3-dihydro-2-methylnaphtho[2,1-b]thiopyran or 2,3-dihydro-3-methylphenanthrene upper part and a (thio)xanthene, 10,10-dimethylanthracene, or dibenzocycloheptene lower part, connected by a central double bond, were synthesized. A single stereogenic center, bearing a methyl substituent, is present in each of the motors. MOPAC93-AM1 calculations, NMR studies, and X-ray analysis revealed that these compounds have stable isomers with pseudoaxial orientation of the methyl substituent and less-stable isomers with pseudoequatorial orientation of the methyl substituent. The photochemical and thermal isomerization processes of the motors were studied by NMR and CD spectroscopy. The new molecular motors all show two cis-trans isomerizations upon irradiation, each followed by a thermal helix inversion, resulting in a 360 degrees rotation around the central double bond of the upper part with respect to the lower part. The direction of rotation is controlled by a single stereogenic center created by the methyl substituent at the upper part. The speed of rotation, governed by the two thermal steps, was adjusted to a great extent by structural modifications, with half-lives for the thermal isomerization steps ranging from t(1/2)(theta) 233-0.67 h. The photochemical conversions of two new motors proceeded with near-perfect photoequilibria of 1:99. PMID:11982368

  2. On the Product of Rotations

    ERIC Educational Resources Information Center

    Trenkler, G.; Trenkler, D.

    2008-01-01

    Using the elementary tools of matrix theory, we show that the product of two rotations in the three-dimensional Euclidean space is a rotation again. For this purpose, three types of rotation matrices are identified which are of simple structure. One of them is the identity matrix, and each of the other two types can be uniquely characterized by…

  3. Doppler observations of solar rotation

    NASA Technical Reports Server (NTRS)

    Scherrer, P. H.; Wilcox, J. M.

    1980-01-01

    Daily observations of the photospheric equatorial rotation rate using the Doppler effect are made at the Stanford Solar Observatory. These observations show no variations in the rotation rate that exceed the observational error of about 1%. The average rotation rate is indistinguishable from that of sunspots and large-scale magnetic field structures.

  4. Doppler observations of solar rotation

    NASA Technical Reports Server (NTRS)

    Scherrer, P. H.

    1980-01-01

    Daily observations of the photospheric equatorial rotation rate using the Doppler effect mode at the Sanford Solar Observatory are presented. These observations show no variations in the rotation rate that exceed the observational error of about one percent. The average rotation rate is indistinguishable from that of sunspots and large scale magnetic field structures.

  5. Structures of pseudechetoxin and pseudecin, two snake-venom cysteine-rich secretory proteins that target cyclic nucleotide-gated ion channels: implications for movement of the C-terminal cysteine-rich domain

    SciTech Connect

    Suzuki, Nobuhiro; Yamazaki, Yasuo; Brown, R. Lane; Fujimoto, Zui; Morita, Takashi; Mizuno, Hiroshi

    2008-10-01

    The structures of pseudechetoxin and pseudecin suggest that both proteins bind to cyclic nucleotide-gated ion channels in a manner in which the concave surface occludes the pore entrance. Cyclic nucleotide-gated (CNG) ion channels play pivotal roles in sensory transduction by retinal photoreceptors and olfactory neurons. The elapid snake toxins pseudechetoxin (PsTx) and pseudecin (Pdc) are the only known protein blockers of CNG channels. These toxins belong to a cysteine-rich secretory protein (CRISP) family containing an N-terminal pathogenesis-related proteins of group 1 (PR-1) domain and a C-terminal cysteine-rich domain (CRD). PsTx and Pdc are highly homologous proteins, but their blocking affinities on CNG channels are different: PsTx blocks both the olfactory and retinal channels with ∼15–30-fold higher affinity than Pdc. To gain further insights into their structure and function, the crystal structures of PsTx, Pdc and Zn{sup 2+}-bound Pdc were determined. The structures revealed that most of the amino-acid-residue differences between PsTx and Pdc are located around the concave surface formed between the PR-1 domain and the CRD, suggesting that the concave surface is functionally important for CNG-channel binding and inhibition. A structural comparison in the presence and absence of Zn{sup 2+} ion demonstrated that the concave surface can open and close owing to movement of the CRD upon Zn{sup 2+} binding. The data suggest that PsTx and Pdc occlude the pore entrance and that the dynamic motion of the concave surface facilitates interaction with the CNG channels.

  6. Isotopic studies of trans- and cis-HOCO using rotational spectroscopy: Formation, chemical bonding, and molecular structures

    NASA Astrophysics Data System (ADS)

    McCarthy, Michael C.; Martinez, Oscar; McGuire, Brett A.; Crabtree, Kyle N.; Martin-Drumel, Marie-Aline; Stanton, John F.

    2016-03-01

    HOCO is an important intermediate in combustion and atmospheric processes because the OH + CO → H + CO2 reaction represents the final step for the production of CO2 in hydrocarbon oxidation, and theoretical studies predict that this reaction proceeds via various intermediates, the most important being this radical. Isotopic investigations of trans- and cis-HOCO have been undertaken using Fourier transform microwave spectroscopy and millimeter-wave double resonance techniques in combination with a supersonic molecular beam discharge source to better understand the formation, chemical bonding, and molecular structures of this radical pair. We find that trans-HOCO can be produced almost equally well from either OH + CO or H + CO2 in our discharge source, but cis-HOCO appears to be roughly two times more abundant when starting from H + CO2. Using isotopically labelled precursors, the OH + C18O reaction predominately yields HOC18O for both isomers, but H18OCO is observed as well, typically at the level of 10%-20% that of HOC18O; the opposite propensity is found for the 18OH + CO reaction. DO + C18O yields similar ratios between DOC18O and D18OCO as those found for OH + C18O, suggesting that some fraction of HOCO (or DOCO) may be formed from the back-reaction H + CO2, which, at the high pressure of our gas expansion, can readily occur. The large 13C Fermi-contact term (aF) for trans- and cis-HO13CO implicates significant unpaired electronic density in a σ-type orbital at the carbon atom, in good agreement with theoretical predictions. By correcting the experimental rotational constants for zero-point vibration motion calculated theoretically using second-order vibrational perturbation theory, precise geometrical structures have been derived for both isomers.

  7. Isotopic studies of trans- and cis-HOCO using rotational spectroscopy: Formation, chemical bonding, and molecular structures.

    PubMed

    McCarthy, Michael C; Martinez, Oscar; McGuire, Brett A; Crabtree, Kyle N; Martin-Drumel, Marie-Aline; Stanton, John F

    2016-03-28

    HOCO is an important intermediate in combustion and atmospheric processes because the OH + CO → H + CO2 reaction represents the final step for the production of CO2 in hydrocarbon oxidation, and theoretical studies predict that this reaction proceeds via various intermediates, the most important being this radical. Isotopic investigations of trans- and cis-HOCO have been undertaken using Fourier transform microwave spectroscopy and millimeter-wave double resonance techniques in combination with a supersonic molecular beam discharge source to better understand the formation, chemical bonding, and molecular structures of this radical pair. We find that trans-HOCO can be produced almost equally well from either OH + CO or H + CO2 in our discharge source, but cis-HOCO appears to be roughly two times more abundant when starting from H + CO2. Using isotopically labelled precursors, the OH + C(18)O reaction predominately yields HOC(18)O for both isomers, but H(18)OCO is observed as well, typically at the level of 10%-20% that of HOC(18)O; the opposite propensity is found for the (18)OH + CO reaction. DO + C(18)O yields similar ratios between DOC(18)O and D(18)OCO as those found for OH + C(18)O, suggesting that some fraction of HOCO (or DOCO) may be formed from the back-reaction H + CO2, which, at the high pressure of our gas expansion, can readily occur. The large (13)C Fermi-contact term (aF) for trans- and cis-HO(13)CO implicates significant unpaired electronic density in a σ-type orbital at the carbon atom, in good agreement with theoretical predictions. By correcting the experimental rotational constants for zero-point vibration motion calculated theoretically using second-order vibrational perturbation theory, precise geometrical structures have been derived for both isomers. PMID:27036445

  8. Hubble Space Telescope scale 3D simulations of MHD disc winds: a rotating two-component jet structure

    NASA Astrophysics Data System (ADS)

    Staff, J. E.; Koning, N.; Ouyed, R.; Thompson, A.; Pudritz, R. E.

    2015-02-01

    We present the results of large scale, three-dimensional magnetohydrodynamics simulations of disc winds for different initial magnetic field configurations. The jets are followed from the source to 90 au scale, which covers several pixels of Hubble Space Telescope images of nearby protostellar jets. Our simulations show that jets are heated along their length by many shocks. We compute the emission lines that are produced, and find excellent agreement with observations. The jet width is found to be between 20 and 30 au while the maximum velocities perpendicular to the jet are found to be up to above 100 km s-1. The initially less open magnetic field configuration simulations result in a wider, two-component jet; a cylindrically shaped outer jet surrounding a narrow and much faster, inner jet. These simulations preserve the underlying Keplerian rotation profile of the inner jet to large distances from the source. However, for the initially most open magnetic field configuration the kink mode creates a narrow corkscrew-like jet without a clear Keplerian rotation profile and even regions where we observe rotation opposite to the disc (counter-rotating). The RW Aur jet is narrow, indicating that the disc field in that case is very open meaning the jet can contain a counter-rotating component that we suggest explains why observations of rotation in this jet have given confusing results. Thus magnetized disc winds from underlying Keplerian discs can develop rotation profiles far down the jet that is not Keplerian.

  9. Structure of sheared and rotating turbulence: Multiscale statistics of Lagrangian and Eulerian accelerations and passive scalar dynamics

    NASA Astrophysics Data System (ADS)

    Jacobitz, Frank G.; Schneider, Kai; Bos, Wouter J. T.; Farge, Marie

    2016-01-01

    The acceleration statistics of sheared and rotating homogeneous turbulence are studied using direct numerical simulation results. The statistical properties of Lagrangian and Eulerian accelerations are considered together with the influence of the rotation to shear ratio, as well as the scale dependence of their statistics. The probability density functions (pdfs) of both Lagrangian and Eulerian accelerations show a strong and similar dependence on the rotation to shear ratio. The variance and flatness of both accelerations are analyzed and the extreme values of the Eulerian acceleration are observed to be above those of the Lagrangian acceleration. For strong rotation it is observed that flatness yields values close to three, corresponding to Gaussian-like behavior, and for moderate and vanishing rotation the flatness increases. Furthermore, the Lagrangian and Eulerian accelerations are shown to be strongly correlated for strong rotation due to a reduced nonlinear term in this case. A wavelet-based scale-dependent analysis shows that the flatness of both Eulerian and Lagrangian accelerations increases as scale decreases, which provides evidence for intermittent behavior. For strong rotation the Eulerian acceleration is even more intermittent than the Lagrangian acceleration, while the opposite result is obtained for moderate rotation. Moreover, the dynamics of a passive scalar with gradient production in the direction of the mean velocity gradient is analyzed and the influence of the rotation to shear ratio is studied. Concerning the concentration of a passive scalar spread by the flow, the pdf of its Eulerian time rate of change presents higher extreme values than those of its Lagrangian time rate of change. This suggests that the Eulerian time rate of change of scalar concentration is mainly due to advection, while its Lagrangian counterpart is only due to gradient production and viscous dissipation.

  10. Structure of sheared and rotating turbulence: Multiscale statistics of Lagrangian and Eulerian accelerations and passive scalar dynamics.

    PubMed

    Jacobitz, Frank G; Schneider, Kai; Bos, Wouter J T; Farge, Marie

    2016-01-01

    The acceleration statistics of sheared and rotating homogeneous turbulence are studied using direct numerical simulation results. The statistical properties of Lagrangian and Eulerian accelerations are considered together with the influence of the rotation to shear ratio, as well as the scale dependence of their statistics. The probability density functions (pdfs) of both Lagrangian and Eulerian accelerations show a strong and similar dependence on the rotation to shear ratio. The variance and flatness of both accelerations are analyzed and the extreme values of the Eulerian acceleration are observed to be above those of the Lagrangian acceleration. For strong rotation it is observed that flatness yields values close to three, corresponding to Gaussian-like behavior, and for moderate and vanishing rotation the flatness increases. Furthermore, the Lagrangian and Eulerian accelerations are shown to be strongly correlated for strong rotation due to a reduced nonlinear term in this case. A wavelet-based scale-dependent analysis shows that the flatness of both Eulerian and Lagrangian accelerations increases as scale decreases, which provides evidence for intermittent behavior. For strong rotation the Eulerian acceleration is even more intermittent than the Lagrangian acceleration, while the opposite result is obtained for moderate rotation. Moreover, the dynamics of a passive scalar with gradient production in the direction of the mean velocity gradient is analyzed and the influence of the rotation to shear ratio is studied. Concerning the concentration of a passive scalar spread by the flow, the pdf of its Eulerian time rate of change presents higher extreme values than those of its Lagrangian time rate of change. This suggests that the Eulerian time rate of change of scalar concentration is mainly due to advection, while its Lagrangian counterpart is only due to gradient production and viscous dissipation. PMID:26871161

  11. Efficient Synthesis of Cyclic Block Copolymers by Rotaxane Protocol by Linear/Cyclic Topology Transformation.

    PubMed

    Valentina, Stephanie; Ogawa, Takahiro; Nakazono, Kazuko; Aoki, Daisuke; Takata, Toshikazu

    2016-06-20

    High-yielding synthesis of cyclic block copolymer (CBC) using the rotaxane protocol by linear-cyclic polymer topology transformation was first demonstrated. Initial complexation of OH-terminated sec-ammonium salt and a crown ether was followed by the successive living ring-opening polymerizations of two lactones to a linear block copolymer having a rotaxane structure by the final capping of the propagation end. CBC was obtained in a high yield by an exploitation of the mechanical linkage through the translational movement of the rotaxane component to transform polymer structure from linear to cyclic. Furthermore, the change of the polymer topology was translated into a macroscopic change in crystallinity of the block copolymer. PMID:27037975

  12. Cyclic Material Properties Test to Determine Hardening/Softening Characteristics of HY-80 Steel

    SciTech Connect

    S.C. Hodge; J.M. Minicucci; T.F. Trimble

    2003-04-30

    The Cyclic Material Properties Test was structured to obtain and provide experimental data for determining cyclic hardening/softening characteristics of HY-80 steel. The inelastic strain history data generated by this test program and the resulting cyclic stress-strain curve will be used to enhance material models in the finite element codes used to perform nonlinear elastic-plastic analysis.

  13. Structural characteristics of yeast F1-ATPase before and after 16-degree rotation of the γ subunit: theoretical analysis focused on the water-entropy effect.

    PubMed

    Yoshidome, Takashi; Ito, Yuko; Matubayasi, Nobuyuki; Ikeguchi, Mitunori; Kinoshita, Masahiro

    2012-07-21

    We have recently proposed a novel picture of the rotation mechanism for F(1)-ATPase [T. Yoshidome, Y. Ito, M. Ikeguchi, and M. Kinoshita, J. Am. Chem. Soc. 133, 4030 (2011)]. In the picture, the asymmetric packing in F(1)-ATPase, originating from the water-entropy effect, plays the key role in the rotation. Here, we analyze the differences between the experimentally determined structures of yeast F(1)-ATPase before and after 16° rotation of the γ subunit with the emphasis on the water-entropy effect. For each of these structures, we calculate the hydration entropies of three sub-complexes comprising the γ subunit, one of the β subunits, and two α subunits adjacent to them. The β(E), β(TP), and β(DP) subunits are involved in sub-complexes I, II, and III, respectively. The calculation is performed using a hybrid of the angle-dependent integral equation theory combined with the molecular model for water and the morphometric approach. The absolute value of the hydration entropy is in the following order: sub-complex I > sub-complex II > sub-complex III. The packing efficiency of the sub-complex follows the opposite order. The rotation gives rise to less efficient packing in sub-complex III and a corresponding water-entropy loss. However, the other two sub-complexes, accompanying water-entropy gains, become more efficiently packed. These results are consistent with our picture of the rotation mechanism, supporting its validity. The water-entropy analysis shows that the interfaces of α(DP)-β(DP) and α(E)-β(E) become more open after the rotation, which is in accord with the experimental observation. PMID:22830731

  14. A non-contacting approach for full field dynamic strain monitoring of rotating structures using the photogrammetry, finite element, and modal expansion techniques

    NASA Astrophysics Data System (ADS)

    Baqersad, Javad

    Health monitoring of rotating structures such as wind turbines and helicopter rotors is generally performed using conventional sensors that provide a limited set of data at discrete locations near or on the hub. These sensors usually provide no data on the blades or interior locations where failures may occur. Within this work, an unique expansion algorithm was extended and combined with finite element (FE) modeling and an optical measurement technique to identify the dynamic strain in rotating structures. The merit of the approach is shown by using the approach to predict the dynamic strain on a small non-rotating and rotating wind turbine. A three-bladed wind turbine having 2.3-meter long blades was placed in a semi-built-in boundary condition using a hub, a machining chuck, and a steel block. A finite element model of the three wind turbine blades assembled to the hub was created and used to extract resonant frequencies and mode shapes. The FE model was validated and updated using experimental modal tests. For the non-rotating optical test, the turbine was excited using a sinusoidal excitation, a pluck test, arbitrary impacts on three blades, and random force excitations with a mechanical shaker. The response of the structure to the excitations was measured using three-dimensional point tracking. A pair of high-speed cameras was used to measure the displacement of optical targets on the structure when the blades were vibrating. The measured displacements at discrete locations were expanded and applied to the finite element model of the structure to extract the full-field dynamic strain. The results of the work show an excellent correlation between the strain predicted using the proposed approach and the strain measured with strain-gages for all of the three loading conditions. Similar to the non-rotating case, optical measurements were also preformed on a rotating wind turbine. The point tracking technique measured both rigid body displacement and flexible

  15. Rotational isomerism about the 17(20)-bond of steroids and euphoids as shown by the crystal structures of euphol and tirucallol.

    PubMed Central

    Nes, W D; Wong, R Y; Benson, M; Landrey, J R; Nes, W R

    1984-01-01

    The influence of configuration at C-20 on rotation about the 17(20)-bond in steroids and euphoids was examined by x-ray crystallographic studies of the C-20 epimers euphol and tirucallol. The H atom on C-20 was in back next to C-18 in the crystal structures of both of the compounds, and C-22 was found to be cis-oriented ("left-handed") to C-13 in euphol and trans-oriented to it ("right-handed") in tirucallol. The results, which are consistent with the known left-handed crystal structure of 24(25)-dihydroeuphol and right-handed crystal structure of cholesterol and other natural sterols, lend further credence to the earlier suggestion that rotational isomerism at the 17(20)-bond can arise in C-20 epimers and that there is preference for an arrangement with the 20-H atom adjacent to C-18. PMID:6592593

  16. Rotational isomerism about the 17(20)-bond of steroids and euphoids as shown by the crystal structures of euphol and tirucallol.

    PubMed

    Nes, W D; Wong, R Y; Benson, M; Landrey, J R; Nes, W R

    1984-09-01

    The influence of configuration at C-20 on rotation about the 17(20)-bond in steroids and euphoids was examined by x-ray crystallographic studies of the C-20 epimers euphol and tirucallol. The H atom on C-20 was in back next to C-18 in the crystal structures of both of the compounds, and C-22 was found to be cis-oriented ("left-handed") to C-13 in euphol and trans-oriented to it ("right-handed") in tirucallol. The results, which are consistent with the known left-handed crystal structure of 24(25)-dihydroeuphol and right-handed crystal structure of cholesterol and other natural sterols, lend further credence to the earlier suggestion that rotational isomerism at the 17(20)-bond can arise in C-20 epimers and that there is preference for an arrangement with the 20-H atom adjacent to C-18. PMID:6592593

  17. Automated mass spectrometric sequence determination of cyclic peptide library members.

    PubMed

    Redman, James E; Wilcoxen, Keith M; Ghadiri, M Reza

    2003-01-01

    Cyclic peptides have come under scrutiny as potential antimicrobial therapeutic agents. Combinatorial split-and-pool synthesis of cyclic peptides can afford single compound per well libraries for antimicrobial screening, new lead identification, and construction of quantitative structure-activity relationships (QSAR). Here, we report a new sequencing protocol for rapid identification of the members of a cyclic peptide library based on automated computer analysis of mass spectra, obviating the need for library encoding/decoding strategies. Furthermore, the software readily integrates with common spreadsheet and database packages to facilitate data visualization and archiving. The utility of the new MS-sequencing approach is demonstrated using sonic spray ionization ion trap MS and MS/MS spectrometry on a single compound per bead cyclic peptide library and validated with individually synthesized pure cyclic D,L-alpha-peptides. PMID:12523832

  18. Comparative study on a core-offset fiber temperature sensor between the faraday rotation mirror structure and the double coupling structure

    NASA Astrophysics Data System (ADS)

    Wang, Fang; Zhu, Han; Li, Yunpeng; Zhao, Huihui; Wang, Xu; Liu, Yufang

    2016-05-01

    A temperature sensor based on core-offset single mode fiber (SMF) and a Faraday rotation mirror (FRM) has been proposed and experimentally demonstrated in this paper. This sensor was fabricated by splicing in a section of SMF between two SMFs with a core-offset at two splicing joints. The end of the joint is connected to the FRM, which can double the sensitivity and improve the polarization state stabilization at the sensor output. The variation of the transmission spectrum of the sensor with respect to the surrounding temperature has been experimentally studied. A comparison is made between this design and a laser temperature sensor made of the same core-offset fiber utilizing a double coupling (DC) structure. The results show that, within the range of 1539.42-1553.90 nm, the sensitivity of the proposed sensor is 0.89039 nm/°C and in the range of 47-63 °C. Additionally, the power attenuation is 2.257 dB/°C. The temperature sensitivity in the SMF and FRM sensor is increased by an order of magnitude in comparison with the DC sensor. The instability and low sensitivity characteristics of a laser temperature sensor constructed with DC structure can be solved through the use of core-offset SMF and FRM.

  19. Cone-beam computed tomography based evaluation of rotational patterns of dentofacial structures in skeletal Class III deformity with mandibular asymmetry

    PubMed Central

    Ryu, Hyeong-Seok; An, Ki-Yong

    2015-01-01

    Objective The purpose of this study was to assess rotational patterns of dentofacial structures according to different vertical skeletal patterns by cone-beam computed tomography (CBCT) and analyze their influence on menton deviation in skeletal Class III deformity with mandibular asymmetry. Methods The control group consisted of 30 young adults (15 men, 15 women) without any severe skeletal deformity. The asymmetry group included 55 adults (28 men, 27 women) with skeletal Class III deformity and at least 3-mm menton deviation from the midsagittal plane; it was divided into the hyperdivergent and hypodivergent subgroups using a mandibular plane angle cutoff of 35°. Fourteen rotational variables of the dental arches and mandible were measured and compared among the groups. Correlations between menton deviation and the other variables were evaluated. Results The asymmetry group showed significantly larger measurements of roll and yaw in the mandible than the control group. The hypodivergent subgroup showed significant differences in maxillary posterior measurements of yaw (p < 0.01) and maxillary anterior shift (p < 0.05) compared with the hyperdivergent subgroup. All the mandibular measurements had significant correlations with menton deviation (p < 0.01). Most measurements of roll were positively correlated with one another (p < 0.01). Measurements of yaw and roll in the posterior regions were also positively correlated (p < 0.05). Conclusions Menton deviation in skeletal Class III deformity with mandibular asymmetry is influenced by rotation of mandibular posterior dentofacial structures. The rotational patterns vary slightly according to the vertical skeletal pattern. PMID:26258061

  20. Modelling rotational and cyclical spectral solar irradiance variations

    NASA Astrophysics Data System (ADS)

    Unruh, Yvonne

    Solar irradiance changes are highly wavelength dependent: solar-cycle variations in the UV can be on the order of tens of percent, while changes in the visible are typically only of the order of one or two permille. With the launch of a number of instruments to measure spectral solar irradiance, we are now for a first time in a good position to explore the changing solar irradiance over a large range of wavelengths and to test our irradiance models as well as some of their underlying assumptions. I will introduce some of the current modelling approaches and present model-data comparisons, using the SATIRE irradiance model and SORCE/SIM measurements as an example. I will conclude by highlighting a number of outstanding questions regarding the modelling of spectral irradiance and current approaches to address these.