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Sample records for rotating cyclic structures

  1. 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.

  2. 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.

  3. Toward structure prediction of cyclic peptides.

    PubMed

    Yu, Hongtao; Lin, Yu-Shan

    2015-02-14

    Cyclic peptides are a promising class of molecules that can be used to target specific protein-protein interactions. A computational method to accurately predict their structures would substantially advance the development of cyclic peptides as modulators of protein-protein interactions. Here, we develop a computational method that integrates bias-exchange metadynamics simulations, a Boltzmann reweighting scheme, dihedral principal component analysis and a modified density peak-based cluster analysis to provide a converged structural description for cyclic peptides. Using this method, we evaluate the performance of a number of popular protein force fields on a model cyclic peptide. All the tested force fields seem to over-stabilize the α-helix and PPII/β regions in the Ramachandran plot, commonly populated by linear peptides and proteins. Our findings suggest that re-parameterization of a force field that well describes the full Ramachandran plot is necessary to accurately model cyclic peptides.

  4. High Resolution Rotational Spectroscopy of a Flexible Cyclic Ether

    NASA Astrophysics Data System (ADS)

    Gámez, F.; Martínez-Haya, B.; Blanco, S.; López, J. C.; Alonso, J. L.

    2011-06-01

    Crown ethers stand as one cornerstone molecular class inhost-guest Supramolecular Chemistry and constitute building blocks for a broad range of modern materials. We report here the first high resolution rotational study of a crown ether: 1,4,7,10,13-pentaoxacyclopentadecane (15-crown-5 ether,15c5). Molecular beam Fourier transform microwave spectroscopy has been employed. The liquid sample of 15c5 has been vaporized using heating methods. The considerable size of 15c5 and the broad range of conformations allowed by the flexibility of its backbone pose important challenges to spectroscopy approaches. In fact, the ab-initio computational study for isolated 15c5, yields at least six stable conformers with relative free energies within 2 kJ Mol-1 (167 Cm-1). Nevertheless, in this investigation it has been possible to identify and characterize in detail one stable rotamer of the 15c5 molecule and to challenge different quantum methods for the accurate description of this system. The results pave the ground for an extensive description of the conformational landscape of 15c5 and related cyclic ethers in the near term. J. L. Alonso, F. J. Lorenzo, J. C. López, A. Lesarri, S. Mata and H. Dreizler, Chem. Phys., 218, 267 (1997) S. Blanco, J.C López, J.L. Alonso, P. Ottaviani, W. Caminati, J. Chem. Phys. 119, 880 (2003) S.E. Hill, D. Feller, Int. J. Mass Spectrom. 201, 41 (2000)

  5. 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.

  6. Controlled Reduction with Unactuated Cyclic Variables: Application to 3D Bipedal Walking with Passive Yaw Rotation.

    PubMed

    Gregg, Robert D; Righetti, Ludovic

    2013-10-01

    This paper shows that viscous damping can shape momentum conservation laws in a manner that stabilizes yaw rotation and enables steering for underactuated 3D walking. We first show that unactuated cyclic variables can be controlled by passively shaped conservation laws given a stabilizing controller in the actuated coordinates. We then exploit this result to realize controlled geometric reduction with multiple unactuated cyclic variables. We apply this underactuated control strategy to a five-link 3D biped to produce exponentially stable straight-ahead walking and steering in the presence of passive yawing.

  7. Controlled Reduction with Unactuated Cyclic Variables: Application to 3D Bipedal Walking with Passive Yaw Rotation

    PubMed Central

    Righetti, Ludovic

    2014-01-01

    This paper shows that viscous damping can shape momentum conservation laws in a manner that stabilizes yaw rotation and enables steering for underactuated 3D walking. We first show that unactuated cyclic variables can be controlled by passively shaped conservation laws given a stabilizing controller in the actuated coordinates. We then exploit this result to realize controlled geometric reduction with multiple unactuated cyclic variables. We apply this underactuated control strategy to a five-link 3D biped to produce exponentially stable straight-ahead walking and steering in the presence of passive yawing. PMID:25554709

  8. 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.

  9. STRUCTURE OF UNIFORMLY ROTATING STARS

    SciTech Connect

    Deupree, Robert G.

    2011-07-10

    Zero-age main-sequence models of uniformly rotating stars have been computed for 10 masses between 1.625 and 8 M{sub sun} and for 21 rotation rates from zero to nearly critical rotation. The surface shape is used to distinguish rotation rather than the surface equatorial velocity or the rotation rate. Using the surface shape is close, but not quite equivalent, to using the ratio of the rotation rate to the critical rotation rate. Using constant shape as the rotation variable means that it and the mass are separable, something that is not true for either the rotation rate or surface equatorial velocity. Thus, a number of properties, including the ratio of the effective temperature anywhere on the surface to the equatorial temperature, are nearly independent of the mass of the model, as long as the rotation rate changes in such a way as to keep the surface shape constant.

  10. 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.

  11. Quantitative tracking of grain structure evolution in a nanocrystalline metal during cyclic loading

    NASA Astrophysics Data System (ADS)

    Panzarino, Jason F.; Ramos, Jesus J.; Rupert, Timothy J.

    2015-02-01

    Molecular dynamics simulations were used to quantify mechanically induced structural evolution in nanocrystalline Al with an average grain size of 5 nm. A polycrystalline sample was cyclically strained at different temperatures, while a recently developed grain tracking algorithm was used to measure the relative contributions of novel deformation mechanisms such as grain rotation and grain sliding. Sample texture and grain size were also tracked during cycling, to show how nanocrystalline plasticity rearranges overall grain structure and alters the grain boundary network. While no obvious texture is developing during cycling, the processes responsible for plasticity act collectively to alter the interfacial network. Cyclic loading led to the formation of many twin boundaries throughout the sample as well as the occasional coalescence of neighboring grains, with higher temperatures causing more evolution. A temperature-dependent cyclic strengthening effect was observed, demonstrating that both the structure and properties of nanocrystalline metals can be dynamic during loading.

  12. 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.

  13. Cyclic plasticity and failure of structural components

    NASA Technical Reports Server (NTRS)

    Kalev, I.

    1980-01-01

    An analytical approach for low-cycle fatigue prediction is presented. The approach combines a cyclic plasticity model with the finite element method and a damage accumulation criterion for ductile metals. The cyclic plasticity model is based on the concept of the combination of several yield surfaces. The surfaces are related to the material uniaxial stress-strain curve idealized by piecewise linear segments. The damage criterion is based on the Coffin-Manson formulae modified for the mean stress variation effect. It is extended to the multiaxial varying stress-strain field and applied for both the crack initiation and the crack growth processes. The stable slow crack growth rate is approximated by the damage accumulation gradient computed from the cracked finite element models. This procedure requires fatigue testing data of only smooth specimens under constant strain amplitudes. The present approach is illustrated by numerical examples of an aircraft wing stiffened panel subjected to compression, which causes material yielding and residual tension.

  14. Microgravity changes in heart structure and cyclic-AMP metabolism

    NASA Technical Reports Server (NTRS)

    Philpott, D. E.; Fine, A.; Kato, K.; Egnor, R.; Cheng, L.

    1985-01-01

    The effects of microgravity on cardiac ultrastructure and cyclic AMP metabolism in tissues of rats flown on Spacelab 3 are reported. Light and electron microscope studies of cell structure, measurements of low and high Km phosphodiesterase activity, cyclic AMP-dependent protein kinase activity, and regulatory subunit compartmentation show significant deviations in flight animals when compared to ground controls. The results indicate that some changes have occurred in cellular responses associated with catecholamine receptor interactions and intracellular signal processing.

  15. Molecular structure of cyclic deoxydiadenylic acid at atomic resolution.

    PubMed

    Frederick, C A; Coll, M; van der Marel, G A; van Boom, J H; Wang, A H

    1988-11-01

    The molecular structure of a small cyclic nucleotide, cyclic deoxydiadenylic acid, has been determined by single-crystal X-ray diffraction analysis and refined to an R factor of 7.8% at 1.0-A resolution. The crystals are in the monoclinic space group C2 with unit cell dimensions of a = 24.511 (3) A, b = 24.785 (3) A, c = 13.743 (3) A, and beta = 94.02 (2) degrees. The structure was solved by the direct methods program SHELXS-86. There are 2 independent cyclic d(ApAp) molecules, 2 hydrated magnesium ions, and 26 water molecules in the asymmetric unit of the unit cell. The two cyclic d(ApAp) molecules have similar conformations within their 12-membered sugar-phosphate backbone ring, but they have quite different appearances due to the different glycosyl torsion angles that make one molecule more compact and the other extended and open. Three of the four deoxyribose rings are in the less common C3'-endo conformation. All four phosphate groups have their phosphodiester torsion angles alpha/zeta in the gauche(+)/gauche(+) conformation. One of the cyclic d(ApAp) molecules associates with another symmetry-related molecule to form a self-intercalated dimer that is a stable structure in solution, as observed in NMR studies. Many interesting intermolecular interactions, including base-base stacking, ribose-base stacking, base pairing, base-phosphate hydrogen bonding, and metal ion-phosphate interactions, are found in the crystal lattice. This structure may be relevant for understanding the conformational potentiality of an endogenous biological regulator of cellulose synthesis, cyclic (GpGp).

  16. 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.

  17. A versatile cyclic 2,2'-azobenzenophane with a functional handle and its polymers: efficient synthesis and effect of topological structure on chiroptical properties.

    PubMed

    Lu, Jinjie; Xia, Aiyou; Zhou, Nianchen; Zhang, Wei; Zhang, Zhengbiao; Pan, Xiangqiang; Yang, Yonggang; Wang, Yong; Zhu, Xiulin

    2015-02-02

    Two novel cyclic azobenzenophanes (SC, RC) with functional handles have been synthesized efficiently by a Glaser coupling reaction. Through a Suzuki coupling reaction, alternating ring/linear polymers with rigid (conjugated)/flexible (unconjugated) bridges were obtained from the resultant cyclic azobenzenophanes. The optical activities of linear, cyclic, and macromolecular binaphethyl-azobenzene derivatives were investigated by UV/Vis and circular dichroism (CD) spectra and the time-dependent (TD)-DFT method. Experimental results and theoretical analyses indicated that the cyclic configurations exhibited better chiroptical features than the others, and the reverse conformation and difference of dextro-/levo-rotation of azobenzenophanes were detected by comparing linear and cyclic structures, which provides an opportunity for the optical-rotation-controlled "smart" materials systems in future.

  18. Relativistic rotation curve for cosmological structures

    NASA Astrophysics Data System (ADS)

    Razbin, Mohammadhosein; Firouzjaee, Javad T.; Mansouri, Reza

    2014-08-01

    Using a general relativistic exact model for spherical structures in a cosmological background, we have put forward an algorithm to calculate the test particle geodesics within such cosmological structures in order to obtain the velocity profile of stars or galaxies. The rotation curve thus obtained is based on a density profile and is independent of any mass definition which is not unique in general relativity. It is then shown that this general relativistic rotation curves for a toy model and a NFW density profile are almost identical to the corresponding Newtonian one, although the general relativistic masses may be quite different.

  19. 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.

  20. Isolation and structural elucidation of cyclic tetrapeptides from Onychocola sclerotica.

    PubMed

    Pérez-Victoria, Ignacio; Martín, Jesús; González-Menéndez, Víctor; de Pedro, Nuria; El Aouad, Noureddine; Ortiz-López, Francisco Javier; Tormo, José Rubén; Platas, Gonzalo; Vicente, Francisca; Bills, Gerald F; Genilloud, Olga; Goetz, Michael A; Reyes, Fernando

    2012-06-22

    Three new cyclic tetrapeptides (1-3) have been isolated from the crude fermentation extract of Onychocola sclerotica. The planar structures of 1-3 were elucidated by detailed spectroscopic analyses using one- and two-dimensional NMR experiments and high-resolution mass spectrometry. The absolute configuration of the amino acid residues in each cyclotetrapeptide was established by Marfey's method. Compounds 1-3 displayed activity as cardiac calcium channel blockers (Cav1.2) but did not inhibit the hERG potassium channel and were not cytotoxic. These peptides are the first secondary metabolites ever reported from fungi of the order Arachnomycetales.

  1. 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.

  2. 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.

  3. Structure in the Rotation Measure Sky

    NASA Astrophysics Data System (ADS)

    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 Hα intensity and diffuse polarized intensity. RM variance on an angular scale of 1° 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 ~10°. The RM variance is a factor of ~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° 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.

  4. Polarized actin structural dynamics in response to cyclic uniaxial stretch

    PubMed Central

    Huang, Lawrence; Helmke, Brian P.

    2014-01-01

    Endothelial cell (EC) alignment to directional flow or stretch supports anti-inflammatory functions, but mechanisms controlling polarized structural adaptation in response to physical cues remain unclear. This study aimed to determine whether factors associated with early actin edge ruffling implicated in cell polarization are prerequisite for stress fiber (SF) reorientation in response to cyclic uniaxial stretch. Time-lapse analysis of EGFP-actin in confluent ECs showed that onset of either cyclic uniaxial or equibiaxial stretch caused a non-directional increase in edge ruffling. Edge activity was concentrated in a direction perpendicular to the stretch axis after 60 min, consistent with the direction of SF alignment. Rho-kinase inhibition caused reorientation of both stretch-induced edge ruffling and SF alignment parallel to the stretch axis. Arp2/3 inhibition attenuated stretch-induced cell elongation and disrupted polarized edge dynamics and microtubule organizing center reorientation, but it had no effect on the extent of SF reorientation. Disrupting localization of p21-activated kinase (PAK) did not prevent stretch-induced SF reorientation, suggesting that this Rac effector is not critical in regulating stretch-induced cytoskeletal remodeling. Overall, these results suggest that directional edge ruffling is not a primary mechanism that guides SF reorientation in response to stretch; the two events are coincident but not causal. PMID:25821527

  5. Fatigue Testing of TBC on Structural Steel by Cyclic Bending

    NASA Astrophysics Data System (ADS)

    Musalek, Radek; Kovarik, Ondrej; Medricky, Jan; Curry, Nicholas; Bjorklund, Stefan; Nylen, Per

    2015-01-01

    For applications with variable loading, fatigue performance of coated parts is of utmost importance. In this study, fatigue performance of conventional structural steel coated with thermal barrier coating (TBC) was evaluated in cyclic bending mode by "SF-Test" device. Testing was carried out at each stage of the TBC preparation process, i.e., for as-received and grit-blasted substrates, as well as for samples with Ni-based bond-coat and complete TBC: bond-coat with YSZ-based top-coat. Comparison of results obtained for different loading amplitudes supplemented by fractographic analysis enabled identification of dominating failure mechanisms and demonstrated applicability of the high-frequency resonant bending test for evaluation of fatigue resistance alteration at each stage of the TBC deposition process.

  6. 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.

  7. 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.

  8. Rotational Spectrum of 1,1-Difluoroethane: Internal Rotation Analysis and Structure

    NASA Astrophysics Data System (ADS)

    Villamanan, R. M.; Chen, W. D.; Wlodarczak, G.; Demaison, J.; Lesarri, A. G.; Lopez, J. C.; Alonso, J. L.

    1995-05-01

    The rotational spectrum of CH3CHF2 in its ground state was measured up to 653 GHz. Accurate rotational and centrifugal distortion constants were determined. The internal rotation splittings were analyzed using the internal axis method. An ab initio structure has been calculated and a near-equilibrium structure has been estimated using offsets derived empirically. This structure was compared to an experimental r0 structure. The four lowest excited states (including the methyl torsion) have also been assigned.

  9. 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.

  10. Topological Structures in Rotating Stratified Flows

    NASA Astrophysics Data System (ADS)

    Redondo, J. M.; Carrillo, A.; Perez, E.

    2003-04-01

    Detailled 2D Particle traking and PIV visualizations performed on a series of large scale laboratory experiments at the Coriolis Platform of the SINTEF in Trondheim have revealed several resonances which scale on the Strouhal, the Rossby and the Richardson numbers. More than 100 experiments spanned a wide range of Rossby Deformation Radii and the topological structures (Parabolic /Eliptic /Hyperbolic) of the quasi-balanced stratified-rotating flows were studied when stirring (akin to coastal mixing) occured at a side of the tank. The strong asymetry favored by the total vorticity produces a wealth of mixing patterns.

  11. 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.

  12. Fine Structure of Solar Acoustic Oscillations Due to Rotation

    NASA Technical Reports Server (NTRS)

    Goode, P. R.; Dziembowski, W.

    1984-01-01

    The nature of the fine structure of high order, low degree five minute period solar oscillations following from various postulated forms of spherical rotation is predicted. The first and second order effects of rotation are included.

  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. Structures of cage, prism, and book isomers of water hexamer from broadband rotational spectroscopy.

    PubMed

    Pérez, Cristóbal; Muckle, Matt T; Zaleski, Daniel P; Seifert, Nathan A; Temelso, Berhane; Shields, George C; Kisiel, Zbigniew; Pate, Brooks H

    2012-05-18

    Theory predicts the water hexamer to be the smallest water cluster with a three-dimensional hydrogen-bonding network as its minimum energy structure. There are several possible low-energy isomers, and calculations with different methods and basis sets assign them different relative stabilities. Previous experimental work has provided evidence for the cage, book, and cyclic isomers, but no experiment has identified multiple coexisting structures. Here, we report that broadband rotational spectroscopy in a pulsed supersonic expansion unambiguously identifies all three isomers; we determined their oxygen framework structures by means of oxygen-18-substituted water (H(2)(18)O). Relative isomer populations at different expansion conditions establish that the cage isomer is the minimum energy structure. Rotational spectra consistent with predicted heptamer and nonamer structures have also been identified.

  15. On the Structure Orientation in Rotating and Sheared Homogeneous Turbulence

    NASA Astrophysics Data System (ADS)

    Aguirre, Joylene C.; Moreau, Adam F.; Jacobitz, Frank G.

    2016-11-01

    The results of direct numerical simulations are used to study the effect of rotation on the orientation of structures and the evolution of the turbulent kinetic energy in homogeneous sheared turbulence. Shear flows without rotation, with moderate rotation, and with strong rotation are considered and the rotation axis is either parallel or anti-parallel to the mean flow vorticity. In the case of moderate rotation, an anti-parallel configuration increases the growth rate of the turbulent kinetic energy, while a parallel configuration decreases the growth rate as compared to the flow without rotation. The orientation of turbulent structures present in the flows are characterized using the three-dimensional, two-point autocorrelation coefficient of velocity magnitude and vorticity magnitude. An ellipsoid is fitted to the surface defined by a constant autocorrelation coefficient value and the major and minor axes are used to determine the inclination angle of flow structures in the plane of shear. It was found that the inclination angle assumes a maximum value for the anti-parallel configuration with moderate rotation. Again, the inclination angle for the parallel configuration with moderate rotation is reduced as compared to the case without rotation. The smallest inclination angles are found for the strongly rotating cases. Hence, the inclination angle is directly related to the growth rate of the turbulent kinetic energy. University of San Diego Shiley-Marcos School of Engineering and McNair Scholars.

  16. The Vertical Structure of the Halo Rotation

    NASA Astrophysics Data System (ADS)

    Kinman, T. D.; Cacciari, C.; Bragaglia, A.; Buzzoni, A.; Spagna, A.

    New GSC-II proper motions of RR Lyrae and Blue Horizontal Branch (BHB) stars near the North Galactic Pole are used to show that the Galactic Halo 5 kpc above the Plane has a significantly retrograde galactic rotation.

  17. Rotational and Cyclical Variabiity in gamma Cassiopeia (B0.5e)

    NASA Astrophysics Data System (ADS)

    Smith, M. A.; Henry, G. W.

    2005-12-01

    We report on robotic telescope (APT) photometric monitoring in B, V Johnson bandpasses over nine years of the classical B0.5e star γ Cas. This star is unusual in emiting copious hard X-rays as well as varying over many timescales in the optical. In our work two types of variability stand out: unpredictable cycles of 60-90 day lengths and 2-3% amplitudes, which are slightly larger in the V bandpass, and a colorless, coherent variation with a period of 1.21581{± .00002} days and a full amplitude of 0.5%. The long cycles show irregular glitches and sometimes damp or grow with timescales of even two weeks. The redness of this variation suggests their origin is in the disk. We suggest that an dynamo induced by a magnetorotational instability in the Be disk is responsible for these and associated X-ray variations. The 1.2 day period is undoubtedly a signature of rotational modulation. Its "sawtooth" waveform offers a challenge to any interpretation. However, we suggest it is caused by a helium anomalous distribution on the star's surface. Could γ Cas be a multipole, hot analog of magnetic Bp stars? MAS acknowledges support from NASA Grant NNG05GB60C.

  18. Structural tailoring of counter rotation propfans

    NASA Technical Reports Server (NTRS)

    Brown, Kenneth W.; Hopkins, D. A.

    1989-01-01

    The STAT program was designed for the optimization of single rotation, tractor propfan designs. New propfan designs, however, generally consist of two counter rotating propfan rotors. STAT is constructed to contain two levels of analysis. An interior loop, consisting of accurate, efficient approximate analyses, is used to perform the primary propfan optimization. Once an optimum design has been obtained, a series of refined analyses are conducted. These analyses, while too computer time expensive for the optimization loop, are of sufficient accuracy to validate the optimized design. Should the design prove to be unacceptable, provisions are made for recalibration of the approximate analyses, for subsequent reoptimization.

  19. 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.

  20. The Vertical Structure of the Halo Rotation

    NASA Astrophysics Data System (ADS)

    Kinman, T. D.; Bragaglia, A.; Cacciari, C.; Buzzoni, A.; Spagna, A.

    New GSC-II proper motions and radial velocities of RR Lyrae and Blue Horizontal Branch stars near the North Galactic Pole are used to show that the Galactic Halo 5 kpc above the Plane has a significantly retrograde galactic rotation. Streaming motions cannot be excluded. Based on observations collected at the Kitt Peak and TNG Observatories. Funded by MIUR-Cofin 2001 (PI: Gratton).

  1. Recent developments in reassessment of jacket structures under extreme storm cyclic loading. Part 2: Cyclic capacity of tubular members

    SciTech Connect

    Amdahl, J.; Skallerud, B.H.; Eide, O.I.; Johansen, A.

    1995-12-31

    Tubular members with D/t ratio 35, 45, 60 and 80 were tested under controlled axial displacement described by an amplitude and a mean level. The material was structural steel to St. 52-3N, with minimum yield stress 345 MPa. The slenderness ratio of the specimens were in the range 50--70. During testing, the specimens were instrumented for measurements of longitudinal and transversal deflections, ovalization, and extreme fiber strains. Number of cycles to local buckling and through thickness cracking was recorded. Selected tests were simulated by use of the nonlinear beam-column FE program USFOS and the shell FE program ABAQUS. Comparisons were made to the corresponding test results. Monotonic and cyclic capacity criteria of tubular members are discussed on the basis of the results obtained.

  2. 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.

  3. 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

  4. 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…

  5. Cyclical stretch induces structural changes in atrial myocytes.

    PubMed

    De Jong, Anne Margreet; Maass, Alexander H; Oberdorf-Maass, Silke U; De Boer, Rudolf A; Van Gilst, Wiek H; Van Gelder, Isabelle C

    2013-06-01

    Atrial fibrillation (AF) often occurs in the presence of an underlying disease. These underlying diseases cause atrial remodelling, which make the atria more susceptible to AF. Stretch is an important mediator in the remodelling process. The aim of this study was to develop an atrial cell culture model mimicking remodelling due to atrial pressure overload. Neonatal rat atrial cardiomyocytes (NRAM) were cultured and subjected to cyclical stretch on elastic membranes. Stretching with 1 Hz and 15% elongation for 30 min. resulted in increased expression of immediate early genes and phosphorylation of Erk and p38. A 24-hr stretch period resulted in hypertrophy-related changes including increased cell diameter, reinduction of the foetal gene program and cell death. No evidence of apoptosis was observed. Expression of atrial natriuretic peptide, brain natriuretic peptide and growth differentiation factor-15 was increased, and calcineurin signalling was activated. Expression of several potassium channels was decreased, suggesting electrical remodelling. Atrial stretch-induced change in skeletal α-actin expression was inhibited by pravastatin, but not by eplerenone or losartan. Stretch of NRAM results in elevation of stress markers, changes related to hypertrophy and dedifferentiation, electrical remodelling and cell death. This model can contribute to investigating the mechanisms involved in the remodelling process caused by stretch and to the testing of pharmaceutical agents.

  6. Adaptive Control Of Large Vibrating, Rotating Structures

    NASA Technical Reports Server (NTRS)

    Bayard, David S.

    1991-01-01

    Globally convergent theoretical method provides for adaptive set-point control of orientation of, along with suppression of the vibrations of, large structure. Method utilizes inherent passivity properties of structure to attain mathematical condition essential to adaptive convergence on commanded set point. Maintains stability and convergence in presence of errors in mathematical model of dynamics of structure and actuators. Developed for controlling attitudes of large, somewhat flexible spacecraft, also useful in such terrestrial applications as controlling movable bridges or suppressing earthquake vibrations in bridges, buildings, and other large structures.

  7. 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.

  8. Coherent Structures and Extreme Events in Rotating Multiphase Turbulent Flows

    NASA Astrophysics Data System (ADS)

    Biferale, L.; Bonaccorso, F.; Mazzitelli, I. M.; van Hinsberg, M. A. T.; Lanotte, A. S.; Musacchio, S.; Perlekar, P.; Toschi, F.

    2016-10-01

    By using direct numerical simulations (DNS) at unprecedented resolution, we study turbulence under rotation in the presence of simultaneous direct and inverse cascades. The accumulation of energy at large scale leads to the formation of vertical coherent regions with high vorticity oriented along the rotation axis. By seeding the flow with millions of inertial particles, we quantify—for the first time—the effects of those coherent vertical structures on the preferential concentration of light and heavy particles. Furthermore, we quantitatively show that extreme fluctuations, leading to deviations from a normal-distributed statistics, result from the entangled interaction of the vertical structures with the turbulent background. Finally, we present the first-ever measurement of the relative importance between Stokes drag, Coriolis force, and centripetal force along the trajectories of inertial particles. We discover that vortical coherent structures lead to unexpected diffusion properties for heavy and light particles in the directions parallel and perpendicular to the rotation axis.

  9. Multilevel Modeling of Two Cyclical Processes: Extending Differential Structural Equation Modeling to Nonlinear Coupled Systems

    ERIC Educational Resources Information Center

    Butner, Jonathan; Amazeen, Polemnia G.; Mulvey, Genna M.

    2005-01-01

    The authors present a dynamical multilevel model that captures changes over time in the bidirectional, potentially asymmetric influence of 2 cyclical processes. S. M. Boker and J. Graham's (1998) differential structural equation modeling approach was expanded to the case of a nonlinear coupled oscillator that is common in bimanual coordination…

  10. 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

  11. 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.

  12. Molecular structure of two crystal forms of cyclic triadenylic acid at 1A resolution.

    PubMed

    Gao, Y G; Robinson, H; Guan, Y; Liaw, Y C; van Boom, J H; van der Marel, G A; Wang, A H

    1998-08-01

    The three dimensional structures of cyclic deoxytriadenylic acid, c-d(ApApAp), from two different trigonal crystal forms (space groups P3 and R32) have been determined by x-ray diffraction analysis at 1A resolution. Both structures were solved by direct methods and refined by anisotropic least squares refinement to R-factors of 0.109 and 0.137 for the P3 and R32 forms, respectively. In both crystal forms, each of the two independent c-d(ApApAp) molecules sits on the crystallographic 3-fold axis. All four independent c-d(ApApAp) molecules have similar backbone conformations. The deoxyriboses are in the S-type pucker with pseudorotation angles ranging from 156.7 degrees to 168.6 degrees and the bases have anti glycosyl torsion angles (chi falling in two ranges, one at -104.3 degrees and the other ranging from -141.0 degrees to -143.8 degrees). In the R32 form, a hexahydrated cobalt(II) ion is found to coordinate through bridging water molecules to N1, N3, and N7 atoms of three adjacent adenines and oxygen atoms of phosphates. Comparison with other structures of cyclic oligonucleotides indicates that the sugar adopts N-type pucker in cyclic dinucleotides and S-type pucker in cyclic trinucleotides, regardless whether the sugar is a ribose or a deoxyribose.

  13. 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.

  14. 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.

  15. Solution structure of the Mesorhizobium loti K1 channel cyclic nucleotide-binding domain in complex with cAMP

    PubMed Central

    Schünke, Sven; Stoldt, Matthias; Novak, Kerstin; Kaupp, U Benjamin; Willbold, Dieter

    2009-01-01

    Cyclic nucleotide-sensitive ion channels, known as HCN and CNG channels, are crucial in neuronal excitability and signal transduction of sensory cells. HCN and CNG channels are activated by binding of cyclic nucleotides to their intracellular cyclic nucleotide-binding domain (CNBD). However, the mechanism by which the binding of cyclic nucleotides opens these channels is not well understood. Here, we report the solution structure of the isolated CNBD of a cyclic nucleotide-sensitive K+ channel from Mesorhizobium loti. The protein consists of a wide anti-parallel β-roll topped by a helical bundle comprising five α-helices and a short 310-helix. In contrast to the dimeric arrangement (‘dimer-of-dimers') in the crystal structure, the solution structure clearly shows a monomeric fold. The monomeric structure of the CNBD supports the hypothesis that the CNBDs transmit the binding signal to the channel pore independently of each other. PMID:19465888

  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. Effects of cyclic structure inhibitors on the morphology and growth of tetrahydrofuran hydrate crystals

    NASA Astrophysics Data System (ADS)

    Li, Sijia; Wang, Yanhong; Lang, Xuemei; Fan, Shuanshi

    2013-08-01

    Morphology and growth of hydrate crystals with cyclic structure inhibitors at a hydrate-liquid interface were directly observed through a microscopic manipulating apparatus. Tetrahydrofuran (THF) hydrate was employed as an objective. The effects of four kind of cyclic structure inhibitors, polyvinylpyrrolidone (PVP), poly(N-vinyl-2-pyrrolidone-co-2-vinyl pyridine) (PVPP), poly(2-vinyl pyridine-co-N-vinylcaprolactam) (PVPC) and poly(N-vinylcaprolactam) (PVCap), were investigated. Morphological patterns between each hydrate crystal growth from hydrate-liquid interface into droplet were found differ significantly. Lamellar structure growth of hydrate crystal was observed without inhibitor, while with PVP was featheriness-like, PVPP was like long dendritic crystal, PVPC was Mimosa pudica leaf-like and PVCap was like weeds. The growth rate of hydrate crystal without inhibitor was 0.00498 mm3/s, while with PVPP, PVPC and PVCap, were 0.00339 mm3/s, 0.00350 mm3/s, 0.00386 mm3/s and 0.00426 mm3/s, respectively. Cyclic structure inhibitors can decrease the growth rate, degree of reduction in growth rate of hydrate crystals decrease with the increase of cylinder number.

  18. 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.

  19. 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.

  20. Pseudo-cyclic face-to-face rigid structure caused by the intramolecular ion pair effect.

    PubMed

    Zhang, Sheng-Ling; Huang, Zhi-Shu; Gu, Lian-Quan

    2009-04-14

    Six 3-methylpyridine zwitterions and six quinoline zwitterions were synthesized through the reaction of 4-hydroxycoumarins, p-benzoquinone and the corresponding N-aromatics. The novel pseudo-cyclic face-to-face rigid structure of the zwitterion was elucidated by (1)H-NMR at different temperatures, and assumed to be caused by both the intramolecular ion pair attraction and the steric interaction.

  1. 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.

  2. 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).

  3. 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.

  4. The structure of the cyclic enterobacterial common antigen (ECA) from Yersinia pestis.

    PubMed

    Vinogradov, E V; Knirel, Y A; Thomas-Oates, J E; Shashkov, A S; L'vov, V L

    1994-05-20

    Two antigenic acidic polysaccharides related to enterobacterial common antigen (ECA) were isolated from a vaccine strain of a pathogenic microorganism Yersinia pestis. The low molecular weight polysaccharide (LMP) is composed of equal amounts of 2-acetamido-2-deoxy-D-mannuronic acid, 4-acetamido-4,6-dideoxy-D-galactose (Fuc4NAc), and 2-amino-2-deoxy-D-glucose which is partially N- and partially 6-O-acetylated. The structure of the trisaccharide repeating unit was established by analyses of LMP and the completely N-acetylated LMP (LMP-NAc) using 1H and 13C NMR spectroscopy, including 2D COSY and 1D NOE spectroscopy. Deamination of LMP with nitrous acid gave a set of oligomers terminated with 2,5-anhydromannose and ranging from tri- to dodeca-saccharides, thus indicating a random distribution of free amino groups. FABMS analyses of LMP and LMP-NAc showed that LMP consists mainly of the cyclic tetramer of the trisaccharide repeating unit together with a small amount of the cyclic trimer and a very small amount of the cyclic pentamer and has, thus, the following structure: [formula: see text] where R is Ac or H (approximately 1:1), R' is Ac or H (approximately 1:4), and n = 4 (major), 3, 5 (minor). Small proportions of the linear trimer and the linear tetramer were also detected in the preparations. The high molecular weight polysaccharide is linear and has the same (or a very similar) repeating unit as LMP.

  5. The importance of cyclic structure for Labaditin on its antimicrobial activity against Staphylococcus aureus.

    PubMed

    Barbosa, Simone C; Nobre, Thatyane M; Volpati, Diogo; Ciancaglini, Pietro; Cilli, Eduardo M; Lorenzón, Esteban N; Oliveira, Osvaldo N

    2016-12-01

    Antimicrobial resistance has reached alarming levels in many countries, thus leading to a search for new classes of antibiotics, such as antimicrobial peptides whose activity is exerted by interacting specifically with the microorganism membrane. In this study, we investigate the molecular-level mechanism of action for Labaditin (Lo), a 10-amino acid residue cyclic peptide from Jatropha multifida with known bactericidal activity against Streptococcus mutans. We show that Lo is also effective against Staphylococcus aureus (S. aureus) but this does not apply to its linear analogue (L1). Using polarization-modulated infrared reflection absorption spectroscopy (PM-IRRAS), we observed with that the secondary structure of Lo was preserved upon interacting with Langmuir monolayers from a phospholipid mixture mimicking S. aureus membrane, in contrast to L1. This structure preservation for the rigid, cyclic Lo is key for the self-assembly of peptide nanotubes that induce pore formation in large unilamellar vesicles (LUVs), according to permeability assays and dynamic light scattering measurements. In summary, the comparison between Labaditin (Lo) and its linear analogue L1 allowed us to infer that the bactericidal activity of Lo is more related to its interaction with the membrane. It does not require specific metabolic targets, which makes cyclic peptides promising for antibiotics without bacteria resistance.

  6. 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.

  7. Travelling and standing envelope solitons in discrete non-linear cyclic structures

    NASA Astrophysics Data System (ADS)

    Grolet, Aurelien; Hoffmann, Norbert; Thouverez, Fabrice; Schwingshackl, Christoph

    2016-12-01

    Envelope solitons are demonstrated to exist in non-linear discrete structures with cyclic symmetry. The analysis is based on the Non-Linear Schrodinger Equation for the weakly non-linear limit, and on numerical simulation of the fully non-linear equations for larger amplitudes. Envelope solitons exist for parameters in which the wave equation is focussing and they have the form of shape-conserving wave packages propagating roughly with group velocity. For the limit of maximum wave number, where the group velocity vanishes, standing wave packages result and can be linked via a bifurcation to the non-localised non-linear normal modes. Numerical applications are carried out on a simple discrete system with cyclic symmetry which can be seen as a reduced model of a bladed disk as found in turbo-machinery.

  8. Large Molecule Structures by Broadband Fourier Transform Molecular Rotational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Evangelisti, Luca; Seifert, Nathan A.; Spada, Lorenzo; Pate, Brooks

    2016-06-01

    Fourier transform molecular rotational resonance spectroscopy (FT-MRR) using pulsed jet molecular beam sources is a high-resolution spectroscopy technique that can be used for chiral analysis of molecules with multiple chiral centers. The sensitivity of the molecular rotational spectrum pattern to small changes in the three dimensional structure makes it possible to identify diastereomers without prior chemical separation. For larger molecules, there is the additional challenge that different conformations of each diastereomer may be present and these need to be differentiated from the diastereomers in the spectral analysis. Broadband rotational spectra of several larger molecules have been measured using a chirped-pulse FT-MRR spectrometer. Measurements of nootkatone (C15H22O), cedrol (C15H26O), ambroxide (C16H28O) and sclareolide (C16H26O2) are presented. These spectra are measured with high sensitivity (signal-to-noise ratio near 1,000:1) and permit structure determination of the most populated isomers using isotopic analysis of the 13C and 18O isotopologues in natural abundance. The accuracy of quantum chemistry calculations to identify diastereomers and conformers and to predict the dipole moment properties needed for three wave mixing measurements is examined.

  9. 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)

  10. 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.

  11. Experimental verification of structural alerts for the protein binding of cyclic compounds acting as Michael acceptors.

    PubMed

    Rodriguez-Sanchez, N; Schultz, T W; Cronin, M T D; Enoch, S J

    2013-11-01

    This study outlines how a combination of and in vitro data can be used to define the applicability domain of selected structural alerts within the protein binding profilers of the Organisation for Economic Co-operation (OECD) Quantitative Structure-Activity Relationship (QSAR) Toolbox. Thirty chemicals containing a cyclic moiety were profiled for reactivity using the OECD and Optimised Approach based on Structural Indices Set (OASIS) protein binding profilers. The profiling results identified 22 of the chemicals as being reactive towards proteins. Analysis of the experimentally data showed 19 of these chemicals to be reactive. Subsequent analysis allowed refinements to be suggested to improve the applicability domain of the structural alerts investigated. The accurate definition of the applicability domain for structural alerts within in silico profilers is important due to their use in chemical category in predictive and regulatory toxicology.

  12. 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

  13. 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

  14. 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.

  15. First observation of rotational structures in 168Re

    NASA Astrophysics Data System (ADS)

    Hartley, D. J.; Janssens, R. V. F.; Riedinger, L. L.; Riley, M. A.; Wang, X.; Miller, S. L.; Ayangeakaa, A. D.; Bertone, P. F.; Carpenter, M. P.; Chiara, C. J.; Chowdhury, P.; Garg, U.; Gürdal, G.; Hota, S. S.; Kondev, F. G.; Lauritsen, T.; Ma, W. C.; Matta, J.; McCutchan, E. A.; Mukhopadhyay, S.; Pedicini, E. E.; Vanhoy, J. R.; Zhu, S.

    2016-11-01

    The first rotational sequences have been assigned to the odd-odd nucleus 168Re. Coincidence relationships of these structures with rhenium x rays confirm the isotopic assignment, while arguments based on the γ -ray multiplicity (K -fold) distributions observed with the new bands lead to the mass assignment. Configurations for the two bands were determined through analysis of the rotational alignments of the structures and a comparison of the experimental B (M 1 )/B (E 2 ) ratios with theory. Tentative spin assignments are proposed for the π h11 /2ν i13 /2 band, based on energy level systematics for other known sequences in neighboring odd-odd rhenium nuclei, as well as on systematics seen for the signature inversion feature that is well known in this region. The spin assignment for the π h11 /2ν (h9 /2/f7 /2) structure provides additional validation of the proposed spins and configurations for isomers in the 176Au → 172Ir→168Re α -decay chain.

  16. Rotational Spectrum and Carbon Atom Structure of Dihydroartemisinic Acid

    NASA Astrophysics Data System (ADS)

    Evangelisti, Luca; Seifert, Nathan A.; Spada, Lorenzo; Pate, Brooks

    2016-06-01

    Dihydroartemisinic acid (DHAA, C15H24O2, five chiral centers) is a precursor in proposed low-cost synthetic routes to the antimalarial drug artemisinin. In one reaction process being considered in pharmaceutical production, DHAA is formed from an enantiopure sample of artemisinic acid through hydrogenation of the alkene. This reaction needs to properly set the stereochemistry of the asymmetric carbon for the synthesis to produce artemisinin. A recrystallization process can purify the diastereomer mixture of the hydrogenation reaction if the unwanted epimer is produced in less than 10% abundance. There is a need in the process analytical chemistry to rapidly (less than 1 min) measure the diastereomer excess and current solutions, such a HPLC, lack the needed measurement speed. The rotational spectrum of DHAA has been measured at 300:1 signal-to-noise ratio in a chirped-pulsed Fourier transform microwave spectrometer operating from 2-8 GHz using simple heating of the compound. The 13C isotope analysis provides a carbon atom structure that confirms the diastereomer. This structure is in excellent agreement with quantum chemistry calculations at the B2PLYPD3/ 6-311++G** level of theory. The DHAA spectrum is expected to be fully resolved from the unwanted diastereomer raising the potential for fast diastereomer excess measurement by rotational spectroscopy in the pharmaceutical production process.

  17. Validation of structural analysis methods using burner liner cyclic rig test data

    NASA Technical Reports Server (NTRS)

    Thompson, R.

    1983-01-01

    The objectives of the hot section technology (HOST) burner liner cyclic rig test program are basically threefold: (1) to assist in developing predictive tools needed to improve design analyses and procedures for the efficient and accurate prediction of burner liner structural response; (2) to calibrate, evaluate and validate these predictive tools by comparing the predicted results with the experimental data generated in the tests; and (3) to evaluate existing as well as advanced temperature and strain measurement instrumentation, both contact and noncontact, in a simulated engine cycle environment. The data generated will include measurements of the thermal environment (metal surface temperatures) as well as structural (strain) and life (fatigue) responses of simulated burner liners and specimens under controlled boundary and operating conditions. These data will be used to calibrate, compare and validate analytical theories, methodologies and design procedures, as well as improvements in them, for predicting liner temperatures, stress-strain responses and cycles to failure. Comparison of predicted results with experimental data will be used to show where the predictive theories, etc. need improvements. In addition, as the predictive tools, as well as the tests, test methods, and data acquisition and reduction techniques, are developed and validated, a proven, integrated analysis/experiment method will be developed to determine the cyclic life of a simulated burner liner.

  18. 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.

  19. The Factor Structure for Mental Rotations of Three-Dimensional Structures Represented in Diagrams.

    ERIC Educational Resources Information Center

    Seddon, G. M.; And Others

    1985-01-01

    Determined the factor structure of tasks which require students to visualize how diagrams should be drawn to represent effects of rotating three-dimensional structures about the three Cartesian axes. Results obtained from 149 English and 231 Singapore students show that visualization about X-, Y-, and Z-axes are factorially distinct. (DH)

  20. 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

  1. 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.

  2. 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.

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

    SciTech Connect

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

    2015-08-31

    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. (interaction of laser radiation with matter)

  4. 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.

  5. Contribution of cyclic parthenogenesis and colonization history to population structure in Daphnia.

    PubMed

    Thielsch, Anne; Brede, Nora; Petrusek, Adam; de Meester, Luc; Schwenk, Klaus

    2009-04-01

    Cyclic parthenogenesis, the alternation of parthenogenetic and sexual reproduction, can lead to a wide scope of population structures, ranging from almost monoclonal to genetically highly diverse populations. In addition, sexual reproduction in aquatic cyclic parthenogens is associated with the production of dormant stages, which both enhance potential gene flow among populations as well as impact local evolutionary rates through the formation of dormant egg banks. Members of the cladoceran genus Daphnia are widely distributed key organisms in freshwater habitats, which mostly exhibit this reproduction mode. We assessed patterns of genetic variation within and among populations in the eurytopic and morphologically variable species Daphnia longispina, using data from both nuclear (13 microsatellite loci) and mitochondrial (partial sequencing of the 12S rRNA gene) markers from a set of populations sampled across Europe. Most populations were characterized by very high clonal diversity, reflecting an important impact of sexual reproduction and low levels of clonal selection. Among-population genetic differentiation was very high for both nuclear and mitochondrial markers, and no strong pattern of isolation by distance was observed. We also did not observe any substantial genetic differentiation among traditionally recognized morphotypes of D. longispina. Our findings of high levels of within-population genetic variation combined with high among-population genetic differentiation are in line with predictions of the monopolization hypothesis, which suggests that in species with rapid population growth and potential for local adaptation, strong priority effects due to monopolization of resources lead to reduced levels of gene flow.

  6. Degradation and COD removal of catechol in wastewater using the catalytic ozonation process combined with the cyclic rotating-bed biological reactor.

    PubMed

    Aghapour, Ali Ahmad; Moussavi, Gholamreza; Yaghmaeian, Kamyar

    2015-07-01

    The effect of ozonation catalyzed with MgO/granular activated carbon (MgO/GAC) composite as a pretreatment process on the performance of cyclic rotating-bed biological reactor (CRBR) for the catechol removal from wastewater has been investigated. CRBR with acclimated biomasses could efficiently remove catechol and its related COD from wastewater at organic loading rate (OLR) of 7.82 kg COD/m(3).d (HRT of 9 h). Then, OLR increased to 15.64 kg COD/m(3).d (HRT of 4.5 h) and CRBR failed. Catalytic ozonation process (COP) used as a pre-treatment and could improve the performance of the failed CRBR. The overall removal efficiency of the combined process attained respective steady states of 91% and 79% for degradation and COD removal of catechol. Therefore, the combined process is more effective in degradation and COD removal of catechol; it is also a viable alternative for upgrading industrial wastewater treatment plant.

  7. Crystal structure and cyclic hydrogenation property of Pr4MgNi19.

    PubMed

    Iwase, Kenji; Terashita, Naoyoshi; Mori, Kazuhiro; Yokota, Hitoshi; Suzuki, Tetsuya

    2013-12-16

    The hydrogen absorption-desorption property and the crystal structure of Pr4MgNi19 was investigated by pressure-composition isotherm measurement and X-ray diffraction (XRD). Pr4MgNi19 consisted of two phases: 52.9% Ce5Co19-type structure (3R) and 47.0% Gd2Co7-type structure (3R). Sm5Co19-type structure (2H) and Ce2Ni7-type structure (2H) were not observed in the XRD profile. The Mg atoms substituted at the Pr sites in a MgZn2-type cell. The maximum hydrogen capacity reached 1.14 H/M (1.6 mass%) at 2 MPa. The hysteresis factor, Hf = ln(Pabs/Pdes), was 1.50. The cyclic hydrogenation property of Pr4MgNi19 was investigated up to 1000 absorption-desorption cycles. After 250, 500, 750, and 1000 cycles, the retention rates of hydrogen were reduced to 94%, 92%, 91%, and 90%, respectively. These properties were superior to those of Pr2MgNi9 and Pr3MgNi14.

  8. Hydrogen-bonded layered structures in two bis(tert-butyldimethylsilyloxy)-substituted cyclic diol derivatives.

    PubMed

    Foces-Foces, C; López-Rodríguez, M

    2008-12-01

    2,6-Bis(tert-butyldimethylsilyloxy)-9-oxabicyclo[3.3.1]nonane-3,7-diol, C(20)H(42)O(5)Si(2), (I), and 4,8-bis(tert-butyldimethylsilyloxy)-2,6-dioxatricyclo[3.3.1(3,7)]decane-1,3-diol, C(20)H(40)O(6)Si(2), (II), form layered structures that differ in the way the molecules are connected within each layer. The endocyclic O atom common to both structures plays an active role in the hydrogen-bonding network, whereas the second oxygen bridge in (II) does not participate in any interaction. This work reports the first structural analysis of two bis(tert-butyldimethylsilyloxy)-substituted cyclic diol derivatives and provides insight into the influence of small changes in the molecular structure on the supramolecular aggregation. The unbalanced hydrogen-bond acceptor/donor ratio, greater in (II) than in (I), does not result in the inclusion of water molecules in the structure.

  9. 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

  10. Natural frequencies of rotating disk-like structures submerged viewed from the stationary frame

    NASA Astrophysics Data System (ADS)

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

    2016-11-01

    To understand the effect of rotation in the dynamic response of pump-turbine runners, simplified models such as disk-like structures can be used. In previous researches the natural frequencies and mode shapes of rotating disk-like structures submerged and confined have been analysed from the rotating frame. Nevertheless to measure these parameters experimentally from the rotating point of view can be a difficult task, since sensors have to withstand with large forces and dynamic loads. In this paper the dynamic response of rotating disk-like structures is analysed from the stationary frame. For this purpose an experimental test rig has been used. It consists on a disk confined that rotates inside a tank. The disk is excited with a PZT attached on it and the response is measured from both rotating frame (with miniature accelerometers) and from the stationary frame (with a Laser Doppler Vibrometer). In this way the natural frequencies and mode shapes of the rotating structure can be determined from the stationary reference frame. The transmission from the rotating to the stationary frame is compared for the case that the rotating structure rotates in a low density medium (air) and in a high density medium (water).

  11. The Structure of the Cubic Coincident Site Lattice Rotation Group

    SciTech Connect

    Reed, B W; Minich, R W; Rudd, R E; Kumar, M

    2004-01-13

    This work is intended to be a mathematical underpinning for the field of grain boundary engineering and its relatives. The interrelationships within the set of rotations producing coincident site lattices in cubic crystals are examined in detail. Besides combining previously established but widely scattered results into a unified context, the present work details newly developed representations of the group structure in terms of strings of generators (based on quaternionic number theory, and including uniqueness proofs and rules for algebraic manipulation) as well as an easily visualized topological network model. Important results that were previously obscure or not universally understood (e.g. the {Sigma} combination rule governing triple junctions) are clarified in these frameworks. The methods also facilitate several general observations, including the very different natures of twin-limited structures in two and three dimensions, the inadequacy of the {Sigma} combination rule to determine valid quadruple nodes, and a curious link between allowable grain boundary assignments and the four-color map theorem. This kind of understanding is essential to the generation of realistic statistical models of grain boundary networks (particularly in twin-dominated systems) and is especially applicable to the field of grain boundary engineering.

  12. Control mechanism of double-rotator-structure ternary optical computer

    NASA Astrophysics Data System (ADS)

    Kai, SONG; Liping, YAN

    2017-03-01

    Double-rotator-structure ternary optical processor (DRSTOP) has two characteristics, namely, giant data-bits parallel computing and reconfigurable processor, which can handle thousands of data bits in parallel, and can run much faster than computers and other optical computer systems so far. In order to put DRSTOP into practical application, this paper established a series of methods, namely, task classification method, data-bits allocation method, control information generation method, control information formatting and sending method, and decoded results obtaining method and so on. These methods form the control mechanism of DRSTOP. This control mechanism makes DRSTOP become an automated computing platform. Compared with the traditional calculation tools, DRSTOP computing platform can ease the contradiction between high energy consumption and big data computing due to greatly reducing the cost of communications and I/O. Finally, the paper designed a set of experiments for DRSTOP control mechanism to verify its feasibility and correctness. Experimental results showed that the control mechanism is correct, feasible and efficient.

  13. 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.

  14. 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

  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.

  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.

  17. Nonlinear dynamics and anisotropic structure of rotating sheared turbulence

    NASA Astrophysics Data System (ADS)

    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.

  18. Structure of the GAF domain, a ubiquitous signaling motif and a new class of cyclic GMP receptor

    PubMed Central

    Ho, Yew-Seng J.; Burden, Lisa M.; Hurley, James H.

    2000-01-01

    GAF domains are ubiquitous motifs present in cyclic GMP (cGMP)-regulated cyclic nucleotide phosphodiesterases, certain adenylyl cyclases, the bacterial transcription factor FhlA, and hundreds of other signaling and sensory proteins from all three kingdoms of life. The crystal structure of the Saccharomyces cerevisiae YKG9 protein was determined at 1.9 Å resolution. The structure revealed a fold that resembles the PAS domain, another ubiquitous signaling and sensory transducer. YKG9 does not bind cGMP, but the isolated first GAF domain of phosphodiesterase 5 binds with Kd = 650 nM. The cGMP binding site of the phosphodiesterase GAF domain was identified by homology modeling and site-directed mutagenesis, and consists of conserved Arg, Asn, Lys and Asp residues. The structural and binding studies taken together show that the cGMP binding GAF domains form a new class of cyclic nucleotide receptors distinct from the regulatory domains of cyclic nucleotide-regulated protein kinases and ion channels. PMID:11032796

  19. Rod outer segment structure influences the apparent kinetic parameters of cyclic GMP phosphodiesterase

    PubMed Central

    1994-01-01

    Cyclic GMP hydrolysis by the phosphodiesterase (PDE) of retinal rod outer segments (ROS) is a key amplification step in phototransduction. Definitive estimates of the turnover number, kcat, and of the Km are crucial to quantifying the amplification contributed by the PDE. Published estimates for these kinetic parameters vary widely; moreover, light-dependent changes in the Km of PDE have been reported. The experiments and analyses reported here account for most observed variations in apparent Km, and they lead to definitive estimates of the intrinsic kinetic parameters in amphibian rods. We first obtained a new and highly accurate estimate of the ratio of holo-PDE to rhodopsin in the amphibian ROS, 1:270. We then estimated the apparent kinetic parameters of light-activated PDE of suspensions of disrupted frog ROS whose structural integrity was systematically varied. In the most severely disrupted ROS preparation, we found Km = 95 microM and kcat = 4,400 cGMP.s-1. In suspensions of disc-stack fragments of greater integrity, the apparent Km increased to approximately 600 microM, though kcat remained unchanged. In contrast, the Km for cAMP was not shifted in the disc stack preparations. A theoretical analysis shows that the elevated apparent Km of suspensions of disc stacks can be explained as a consequence of diffusion with hydrolysis in the disc stack, which causes active PDEs nearer the center of the stack to be exposed to a lower concentration of cyclic GMP than PDEs at the disc stack rim. The analysis predicts our observation that the apparent Km for cGMP is elevated with no accompanying decrease in kcat. The analysis also predicts the lack of a Km shift for cAMP and the previously reported light dependence of the apparent Km for cGMP. We conclude that the intrinsic kinetic parameters of the PDE do not vary with light or structural integrity, and are those of the most severely disrupted disc stacks. PMID:7931138

  20. 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

  1. Heat-Driven Rotation in Cholesteric Droplets with a Double Twisted Structure

    NASA Astrophysics Data System (ADS)

    Ito, Fumiya; Yoshioka, Jun; Tabe, Yuka

    2016-11-01

    In an isotropic-cholesteric coexistence system, a single-helix structure is formed in the cholesteric droplets, and when a temperature gradient is applied, unidirectional rotations are induced in these droplets. However, in a previous work, we showed that a double twisted structure was also formed in the droplets by changing droplet size or chirality. In this paper, we find that unidirectional rotations are also induced by applying a temperature gradient to droplets with a double twisted structure. Here, however, the rotational behavior is strongly dependent on the relationship between the direction of the helical axis and the temperature gradient. Unidirectional rotation is induced when one of the helical axes is parallel to the gradient, whereas no rotation is found when all of the axes are perpendicular to the temperature gradient. These results suggest that the macroscopic helix plays a significant role in the heat-driven rotational dynamics of cholesteric droplets.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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.

  7. 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.

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

    PubMed Central

    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. PMID:24469021

  9. A structural study of epoxidized natural rubber (ENR-50) and its cyclic dithiocarbonate derivative using NMR spectroscopy techniques.

    PubMed

    Hamzah, Rosniza; Bakar, Mohamad Abu; Khairuddean, Melati; Mohammed, Issam Ahmed; Adnan, Rohana

    2012-09-12

    A structural study of epoxidized natural rubber (ENR-50) and its cyclic dithiocarbonate derivative was carried out using NMR spectroscopy techniques. The overlapping (1)H-NMR signals of ENR-50 at δ 1.56, 1.68-1.70, 2.06, 2.15-2.17 ppm were successfully assigned. In this work, the <(13)C-NMR chemical shift assignments of ENR-50 were consistent to the previously reported work. A cyclic dithiocarbonate derivative of ENR-50 was synthesized from the reaction of purified ENR-50 with carbon disulfide (CS(2)), in the presence of 4-dimethylaminopyridine (DMAP) as catalyst at reflux temperature. The cyclic dithiocarbonate formation involved the epoxide ring opening of the ENR-50. This was followed by insertion of the C-S moiety of CS(2) at the oxygen attached to the quaternary carbon and methine carbon of epoxidized isoprene unit, respectively. The bands due to the C=S and C-O were clearly observed in the FTIR spectrum while the (1)H-NMR spectrum of the derivative revealed the peak attributed to the methylene protons had split. The (13)C-NMR spectrum of the derivative further indicates two new carbon peaks arising from the >C=S and quaternary carbon of cyclic dithiocarbonate. All other (1)H- and (13)C-NMR chemical shifts of the derivative remain unchanged with respect to the ENR-50.

  10. 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

    2015-07-02

    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.

  11. A versatile numerical method for obtaining structures of rapidly rotating baroclinic stars: self-consistent and systematic solutions with shellular-type rotation

    NASA Astrophysics Data System (ADS)

    Fujisawa, Kotaro

    2015-12-01

    This paper develops a novel numerical method for obtaining structures of rapidly rotating stars based on a self-consistent field scheme. The solution is obtained iteratively. Both rapidly rotating barotropic and baroclinic equilibrium states are calculated self-consistently using this method. Two types of rotating baroclinic stars are investigated by changing the isentropic surfaces inside the star. Solution sequences of these are calculated systematically and critical rotation models beyond which no rotating equilibrium state exists are also obtained. All of these rotating baroclinic stars satisfy necessarily the Bjerknes-Rosseland rules. Self-consistent solutions of baroclinic stars with shellular-type rotation are successfully obtained where the isentropic surfaces are oblate and the surface temperature is hotter at the poles than at the equator if it is assumed that the star is an ideal gas star. These are the first self-consistent and systematic solutions of rapidly rotating baroclinic stars with shellular-type rotations. Since they satisfy the stability criterion due to their rapid rotation, these rotating baroclinic stars would be dynamically stable. This novel numerical method and the solutions of the rapidly rotating baroclinic stars will be useful for investigating stellar evolution with rapid rotations.

  12. 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.

  13. Natural modes of oscillation of rotating flexible structures about nontrivial equilibrium. [spacecraft stability

    NASA Technical Reports Server (NTRS)

    Meirovitch, L.; Juang, J.-N.

    1976-01-01

    This paper is concerned with the vibrational characteristics of rotating flexible structures in the neighborhood of steady rotation. It is assumed that the structure undergoes deformations during the steady rotation, so that the equilibrium is nontrivial. The object of the paper is to formulate the eigenvalue problem associated with small oscillations of the structure about the nontrivial equilibrium and to develop efficient methods to compute the system natural frequencies and modal vectors. A numerical example showing the procedure for the calculation of spacecraft modes is presented.

  14. 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.

  15. Robust turn structures in α3β cyclic tetrapeptides induced and controlled by carbo-β3 amino acid.

    PubMed

    Sharma, Anindra; Sharma, Shrikant; Tripathi, Rama P; Ampapathi, Ravi Sankar

    2012-02-17

    Designing cyclic tetrapeptides (CTPs), which fold into desired structures, is often a challenging task. While it is difficult to synthesize them, they are also prone to adopt multiple conformations. In this paper we report the synthesis and conformational studies of CTP mimics, having nonconstrained α(3)β motif, that exhibit stable β- and γ-turn structures. We also demonstrate the transformation of β-turn to γ-turn structure in similar CTPs by inverting the chirality of β(3) carbon in C-linked-carbo-β(3)-amino acid (Caa) from R to S.

  16. 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.

  17. Inelastic Deformation of Metals and Structures under Dynamic and Quasi-Static Cyclic Loading

    DTIC Science & Technology

    1984-05-01

    SECTION 3 NUMERICAL PROCEDURE Cyclic thermo-elasto- plastic problems may be solved by means of the .. method of successive elastic solutions in which...process. The thermal load is now applied incrementally and the thermo-elasto- " plastic problem is solved with the initial values of plastic strains -P

  18. 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.

  19. A Circle Has No End: Role of Cyclic Topology and Accompanying Structural Reorganization on the Hole Distribution in Cyclic and Linear Poly-p-phenylene Molecular Wires.

    PubMed

    Talipov, Marat R; Jasti, Ramesh; Rathore, Rajendra

    2015-12-02

    π-Conjugated organic oligomers/polymers hold great promise as long-range charge-transfer materials for modern photovoltaic applications. However, a set of criteria for the rational design of functional materials is not yet available, in part because of a lack of understanding of charge distribution in extended π-conjugated systems of different topologies, and concomitant effects on redox and optical properties. Herein we demonstrate the role of cyclic versus linear topology in controlling the redox/optical properties and hole distribution in poly-p-phenylenes (PPs) with the aid of experiment, computation, and our recently developed multistate parabolic model (MPM). It is unequivocally shown that the hole distribution in both cyclic and linear poly-p-phenylene (n ≥ 7) cation radicals is limited to seven p-phenylene units, despite the very different topologies. However, the effect of topology is evidenced in the very different trends in oxidation potentials of cyclic versus linear PPs, which are shown to originate largely from the geometrical distortion of individual p-phenylene units in cyclic PPs. The presence of additional pairwise electronic coupling element in cyclic PPs, absent in linear PPs, plays a significant role only in smaller cyclic PP5 and PP6. This study provides a detailed conceptual description of cyclic and linear poly-p-phenylene cation radicals and demonstrates the versatility and predictive power of MPM, an important new tool for the design and synthesis of novel and efficient charge-transfer materials for molecular electronics and photovoltaic applications, an area of widespread interest.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. A Unified Approach for Modeling Inelastic Behavior of Structural Metals under Complex Cyclic Loadings.

    DTIC Science & Technology

    1977-05-01

    STRUCTURA——ETC (U) - UNCLASSIFIED MAY CERL—TR—M—214 NL construction engineering TECHNICAL REPORT M.214 research Respon~ to Cyclic Loading...this report are not to be used for advertising, publication, or promotional purposes. Citat ion of trade names does not constitute an off icial...indorsement or approval of the use of such commercial products. The findings of this report are not to be construed as an official Department of the Army

  5. Translation of structure-activity relationships from cyclic mixed efficacy opioid peptides to linear analogues.

    PubMed

    Anand, Jessica P; Porter-Barrus, Vanessa R; Waldschmidt, Helen V; Yeomans, Larisa; Pogozheva, Irina D; Traynor, John R; Mosberg, Henry I

    2014-01-01

    Most opioid analgesics used in the treatment of pain are mu opioid receptor (MOR) agonists. While effective, there are significant drawbacks to opioid use, including the development of tolerance and dependence. However, the coadministration of a MOR agonist with a delta opioid receptor (DOR) antagonist slows the development of MOR-related side effects, while maintaining analgesia. We have previously reported a series of cyclic mixed efficacy MOR agonist/DOR antagonist ligands. Here we describe the transfer of key features from these cyclic analogs to linear sequences. Using the linear MOR/DOR agonist, Tyr-DThr-Gly-Phe-Leu-Ser-NH2 (DTLES), as a lead scaffold, we replaced Phe(4) with bulkier and/or constrained aromatic residues shown to confer DOR antagonism in our cyclic ligands. These replacements failed to confer DOR antagonism in the DTLES analogs, presumably because the more flexible linear ligands can adopt binding poses that will fit in the narrow binding pocket of the active conformations of both MOR and DOR. Nonetheless, the pharmacological profile observed in this series, high affinity and efficacy for MOR and DOR with selectivity relative to KOR, has also been shown to reduce the development of unwanted side effects. We further modified our lead MOR/DOR agonist with a C-terminal glucoserine to improve bioavailability. The resulting ligand displayed high efficacy and potency at both MOR and DOR and no efficacy at KOR.

  6. 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.

  7. The rotational spectrum up to 1 THz and the molecular structure of thiomethylium, HCS+

    NASA Astrophysics Data System (ADS)

    Margulès, L.; Lewen, F.; Winnewisser, G.; Botschwina, P.; Müller, H. S. P.

    2003-06-01

    The rotational spectra of HCS+, DCS+, and HC34S+ have been investigated using a newly constructed ion cell in selected regions between 0.46 and 0.94 THz. 23 transitions covering the quantum numbers 10 <= J" <= 25 have been used in a combined fit together with previous data to improve the rotational and quartic centrifigal distortion constants B0 and D0, respectively. High J transitions have been measured specifically to obtain an estimate of the sextic distortion constant H0. Vibration rotation coupling constants alphai were obtained from coupled cluster calculations. They were used to determine a mixed experimental/ab initio equilibrium structure re.

  8. Large rotation FE transient analysis of piezolaminated thin-walled smart structures

    NASA Astrophysics Data System (ADS)

    Zhang, S. Q.; Schmidt, R.

    2013-10-01

    A geometrically nonlinear large rotation shell theory is proposed for dynamic finite element (FE) analysis of piezoelectric integrated thin-walled smart structures. The large rotation theory, which has six independent kinematic parameters but expressed by five nodal degrees of freedom (DOFs), is based on first-order shear deformation (FOSD) hypothesis. The two-dimensional (2D) FE model is constructed using eight-node quadrilateral shell elements with five mechanical DOFs per node and one electrical DOF per piezoelectric material layer with linear constitutive equations. The linear and nonlinear dynamic responses are determined by the central difference algorithm (CDA) and the Newmark method. The results are compared with those obtained by simplified nonlinear theories, as well as those reported in the literature. It is shown that the present large rotation theory yields considerable improvement if the structures undergo large displacements and rotations.

  9. Laser direct writing of rotationally symmetric high-resolution structures.

    PubMed

    Haefner, Matthias; Pruss, Christof; Osten, Wolfgang

    2011-11-01

    We present a laser direct writing system for the efficient fabrication of high-resolution axicon structures. The setup makes use of scanning beam interference lithography incorporated with a fringe locking scheme for tight fringe phase control and allows us to fabricate large area structures with a period down to 450 nm.

  10. Fabrication of micro-rotating structure by micro reciprocated wire-EDM

    NASA Astrophysics Data System (ADS)

    Wang, Yukui; Chen, Xiang; Wang, Zhenlong; Li, Huichao; Liu, Hongzheng

    2016-11-01

    Micro rotating-structure manufacture has been largely carried out using a variety of processing methods. However, it is difficult to achieve the high-precise machining of the micro rotating structure due to the material constraints and the geometrical limitation of the free-form profile. This paper discusses the fabrication of micro-rotating structure using micro reciprocated wire electrical discharge machining (wire-EDM). To ensure machining accuracy, a gravity takeup for maintaining constant wire tension and a unit for suppressing the wire vibration are designed and fabricated, respectively. Besides, the effects of processing parameters on rotating groove width are investigated by conducting preliminary experiments, showing that high open voltage, discharge capacitance and revolving speed, and low discharge resistance and wire tension cause larger rotating groove width. Nevertheless, the rotating groove width firstly decreases with the reference voltage and feed rate increase in the initial stage and then increases when applying higher values. Based on the preliminary experiments, the proper processing parameters are determined and are used for machining micro bellows core-mould. Ultimately, the micro bellows core-mould is successfully machined by micro reciprocated wire-EDM, exhibiting high machining accuracy, excellent geometric shape and uniformity. Specifically, the machining errors along the axial direction and the radial direction of the micro bellows core-mould are less than 1.4 µm and 2.3 µm, respectively.

  11. Rotational structure in the near-infrared absorption spectrum of ozone

    NASA Technical Reports Server (NTRS)

    Anderson, Stuart M.; Hupalo, Peter; Mauersberger, Konrad

    1993-01-01

    The lowest energy members of the near-IR absorption bands of ozone possess fine structure which is probably due to the rotation of the molecule in the upper vibronic state, suggesting that this state is metastable. A preliminary analysis of the structures as rotational subbands supports a recent theoretical assignment of the near-IR vibronic features to the 3A2 - 1A1 electronic transition. A binding energy of about 0.1 eV is inferred from the breakoff in the observed structure.

  12. Hydrogen bond rotations as a uniform structural tool for analyzing protein architecture

    NASA Astrophysics Data System (ADS)

    Penner, Robert C.; Andersen, Ebbe S.; Jensen, Jens L.; Kantcheva, Adriana K.; Bublitz, Maike; Nissen, Poul; Rasmussen, Anton M. H.; Svane, Katrine L.; Hammer, Bjørk; Rezazadegan, Reza; Nielsen, Niels Chr.; Nielsen, Jakob T.; Andersen, Jørgen E.

    2014-12-01

    Proteins fold into three-dimensional structures, which determine their diverse functions. The conformation of the backbone of each structure is locally at each Cα effectively described by conformational angles resulting in Ramachandran plots. These, however, do not describe the conformations around hydrogen bonds, which can be non-local along the backbone and are of major importance for protein structure. Here, we introduce the spatial rotation between hydrogen bonded peptide planes as a new descriptor for protein structure locally around a hydrogen bond. Strikingly, this rotational descriptor sampled over high-quality structures from the protein data base (PDB) concentrates into 30 localized clusters, some of which correlate to the common secondary structures and others to more special motifs, yet generally providing a unifying systematic classification of local structure around protein hydrogen bonds. It further provides a uniform vocabulary for comparison of protein structure near hydrogen bonds even between bonds in different proteins without alignment.

  13. Flow structure on a rotating wing: Effect of steady incident flow

    NASA Astrophysics Data System (ADS)

    Bross, M.; Ozen, C. A.; Rockwell, D.

    2013-08-01

    The flow structure along a rotating wing in steady incident flow is compared to the structure on a rotating wing in quiescent fluid, in order to clarify the effect of advance ratio J (ratio of free-stream velocity to tip velocity of wing). Stereoscopic particle image velocimetry leads to patterns of vorticity, velocity, and Q-criterion (constant values of the second invariant of the velocity gradient tensor), as well as streamlines, which allow identification of critical points of the flow. The effective angle of attack is held constant over the range of J, and the wing rotates from rest to a large angle that corresponds to attainment of the asymptotic state of the flow structure. Prior to the onset of motion, the wing is at high angle of attack and the steady incident flow yields a fully stalled state along the wing. After the onset of rotation, the stalled region quickly gives rise to a stable leading edge vortex. Throughout the rotation maneuver, the development of the flow structure in the leading edge region is relatively insensitive to the value of J. In the trailing-edge region, however, the structure of the shed vorticity layer is strongly dependent on the value of J. Further insight into the effects of J is provided by three-dimensional patterns of spanwise-oriented vorticity, spanwise velocity, and Q-criterion.

  14. Hyperfine Structure in Rotational Spectra of Deuterated Molecules: the Hds and ND_3 Case Studies

    NASA Astrophysics Data System (ADS)

    Cazzoli, Gabriele; Puzzarini, Cristina

    2016-06-01

    The determination of hyperfine parameters (quadrupole-coupling, spin-spin coupling, and spin-rotation constants) is one of the aims of high-resolution rotational spectroscopy. These parameters are relevant not only from a spectroscopic point of view, but also from a physical and/or chemical viewpoint, as they might provide detailed information on the chemical bond, structure, etc. In addition, the hyperfine structure of rotational spectra is so characteristic that its analysis may help in assigning the spectra of unknown species. In astronomical observations, hyperfine structures of rotational spectra would allow us to gain information on column densities and kinematics, and the omission of taking them into account can lead to a misinterpretation of the line width of the molecular emission lines. Nevertheless, the experimental determination of hyperfine constants can be a challenge not only for actual problems in resolving hyperfine structures themselves, but also due to the lack of reliable estimates or the complexity of the hyperfine structure itself. It is thus important to be able to rely on good predictions for such parameters, which can nowadays be provided by quantum-chemical calculations. In fact, the fruitful interplay of experiment and theory will be demonstrated by means of two study cases: the hypefine structure of the rotational spectra of HDS and ND_3. From an experimental point of view, the Lamb-dip technique has been employed to improve the resolving power in themillimeter- and submillimeterwave frequency range by at least one order of magnitude, thus making it possible to perform sub-Doppler measurements as well as to resolve narrow hyperfine structures. Concerning theory, it will be demonstrated that high-level calculations can provide quantitative estimates for hyperfine parameters (quadrupole coupling constants, spin-rotation tensors, spin-spin couplings, etc.) and shown how theoretical predictions are often essential for a detailed analysis of

  15. The Visualization of Rotation in Diagrams of Three-Dimensional Structures.

    ERIC Educational Resources Information Center

    Seddon, G. M.; And Others

    1984-01-01

    Two experiments (one using models and diagrams, one using slides) were carried out to investigate how remedial instruction may be given to students who have difficulties in visualizing the diagrammatic representation of a three-dimensional structure after the structure has been rotated. (Author/BW)

  16. 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…

  17. 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.

  18. 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.

  19. Rotating plasma structures in the cross-field discharge of Hall thrusters

    NASA Astrophysics Data System (ADS)

    Mazouffre, Stephane; Grimaud, Lou; Tsikata, Sedina; Matyash, Konstantin

    2016-09-01

    Rotating plasma structures, also termed rotating spokes, are observed in various types of low-pressure discharges with crossed electric and magnetic field configurations, such as Penning sources, magnetron discharges, negative ion sources and Hall thrusters. Such structures correspond to large-scale high-density plasma blocks that rotate in the E×B drift direction with a typical frequency on the order of a few kHz. Although such structures have been extensively studied in many communities, the mechanism at their origin and their role in electron transport across the magnetic field remain unknown. Here, we will present insights into the nature of spokes, gained from a combination of experiments and advanced particle-in-cell numerical simulations that aim at better understanding the physics and the impact of rotating plasma structures in the ExB discharge of the Hall thruster. As rotating spokes appear in the ionization region of such thrusters, and are therefore difficult to probe with diagnostics, experiments have been performed with a wall-less Hall thruster. In this configuration, the entire plasma discharge is pushed outside the dielectric cavity, through which the gas is injected, using the combination of specific magnetic field topology with appropriate anode geometry.

  20. 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.

  1. 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.)

  2. Evaluation of the structural integrity and extracellular matrix components of tracheal allografts following cyclical decellularization techniques: comparison of three protocols.

    PubMed

    Haykal, Siba; Soleas, John P; Salna, Michael; Hofer, Stefan O P; Waddell, Thomas K

    2012-08-01

    Tracheal reconstruction is indicated in cases of malignancy, traumatic injury, and subglottic or tracheal stenosis. Recent progress in airway transplantation has provided renewed optimism for potential solutions for defects involving more than half of the tracheal length in adults or one-third of the tracheal length in children. Biologic scaffolds derived from decellularized tissues and organs have shown great promise in tracheal allotransplantation, and cyclical decellularization techniques have been hypothesized as abrogating the need for immunosuppressive therapy. In this study, we performed a direct comparison of three decellularization protocols (Protocols A, B, and C) previously described in the literature, two of which were described in tracheal tissue (Protocols A and B). We concentrated on the immunogenicity within the epithelium and mucosa, quantified and qualified the extracellular matrix (ECM) components, and performed compliance measurements on large circumferential decellularized tracheal scaffolds following cyclical decellularization techniques using all three protocols. Quantitative measurements of glycosaminoglycans (GAGs) showed a significant decrease in the mucosal component following 17 cycles of all 3 protocols as well as a significant decrease of GAGs in the cartilaginous component following cycles 1, 9, and 17 of Protocol A and cycle 17 of Protocol C. Compliance measurements were also shown to be different between the protocols, with grafts becoming more compliant at physiologic pressures after cyclical decellularization with Protocols A and B and slightly less compliant but remaining similar to native trachea using Protocol C. Positive staining for anti-major histocompatibility complex Class I (anti-MHCI) and anti-MHCII remained within the submucosal glandular components despite multiple cycles of decellularization using all three protocols. This study illustrated that there are significant differences in ECM composition and resultant

  3. Moire interferometry patterns for rotational alignment of structures

    NASA Astrophysics Data System (ADS)

    Heidari, Esmaeil; Harding, Kevin

    2016-08-01

    In some manufacturing applications the alignment of fine structures formed on the surface of a part such as micro-scribed patterns on solar panels can be critical to the panel performance. Variations in pattern uniformity may degrade the efficiency of the solar panel if the pattern deviates significantly from designed parameters. This paper will explore the use of moire patterns to interpret the angular alignment of such structures on 3 dimensional non-planar shapes. The moire interferometry pattern creates a beat between the scribed pattern and a reference pattern that is a function of both the shape of the part as well as the shape of the scribed pattern. Both the part shape variations and the patterns of interest are typically much smaller than can be seen visually. Similar challenges exist when inspecting specular models or testing low quality optics. The moire effect allows small displacements to be measured from patterns that are well below the resolution of the camera systems that are used to view the patterns. Issues such as the separation of the shape of the part from the alignment of the fine structure as well as resolution and robustness of the technique will be explored in this paper.

  4. 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.

  5. 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

  6. 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.

  7. Interface structure of co-rotating interaction regions

    NASA Technical Reports Server (NTRS)

    Ogilvie, K. W.; Roelof, E. C.; Forsyth, R. J.

    1997-01-01

    Plasma and particle observations on Ulysses during its passes through the southern and northern heliosphere have revealed that, inside the streamer belt, the large-scale structure of the quiet global heliosphere is dominated by corotating interaction regions (CIRs). Therefore, considerable attention is now being given to the internal plasma structure of CIRs, and in particular, to the manifestations of the stream interfaces that should mark their origins as interactions between low speed solar wind (in the low-latitude streamer belt) and high speed solar wind (from the equatorial extensions of the high latitude polar coronal holes). The SWICS and HI-SCALE experiments on Ulysses combine plasma and energetic particle measurements that are of considerable utility for such studies because, between them, they cover the proton energy range from 10 eV to 5 MeV. These measurements are used, together with magnetic field data, to study the remarkable series of CIRs that occurred during the period beginning July 1992 and the end of 1993 as Ulysses rose from the ecliptic to a southern heliographic latitude of 48 deg. The structure of the regions between the forward and reverse shocks were previously analyzed in terms of the proton specific entropy argument log that should exhibit a discontinuous jump at the stream interface. It was claimed that the stream interface, defined with respect to specific entropy, is also associated with a discontinuity in energetic proton intensities. The energetic particle data (greater than 60 keV) and how they were ordered with respect to interfaces and with respect to the magnetic field were examined.

  8. Structural insights into conformational changes of a cyclic nucleotide-binding domain in solution from Mesorhizobium loti K1 channel

    PubMed Central

    Schünke, Sven; Stoldt, Matthias; Lecher, Justin; Kaupp, U. Benjamin; Willbold, Dieter

    2011-01-01

    Cyclic nucleotide-sensitive ion channels, known as HCN and CNG channels, are activated by binding of ligands to a domain (CNBD) located on the cytoplasmic side of the channel. The underlying mechanisms are not well understood. To elucidate the gating mechanism, structures of both the ligand-free and -bound CNBD are required. Several crystal structures of the CNBD from HCN2 and a bacterial CNG channel (MloK1) have been solved. However, for HCN2, the cAMP-free and -bound state did not reveal substantial structural rearrangements. For MloK1, structural information for the cAMP-free state has only been gained from mutant CNBDs. Moreover, in the crystal, the CNBD molecules form an interface between dimers, proposed to be important for allosteric channel gating. Here, we have determined the solution structure by NMR spectroscopy of the cAMP-free wild-type CNBD of MloK1. A comparison of the solution structure of cAMP-free and -bound states reveals large conformational rearrangement on ligand binding. The two structures provide insights on a unique set of conformational events that accompany gating within the ligand-binding site. PMID:21430265

  9. 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.

  10. 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.

  11. A secondary structural transition in the C-helix promotes gating of cyclic nucleotide-regulated ion channels.

    PubMed

    Puljung, Michael C; Zagotta, William N

    2013-05-03

    Cyclic nucleotide-regulated ion channels bind second messengers like cAMP to a C-terminal domain, consisting of a β-roll, followed by two α-helices (B- and C-helices). We monitored the cAMP-dependent changes in the structure of the C-helix of a C-terminal fragment of HCN2 channels using transition metal ion FRET between fluorophores on the C-helix and metal ions bound between histidine pairs on the same helix. cAMP induced a change in the dimensions of the C-helix and an increase in the metal binding affinity of the histidine pair. cAMP also caused an increase in the distance between a fluorophore on the C-helix and metal ions bound to the B-helix. Stabilizing the C-helix of intact CNGA1 channels by metal binding to a pair of histidines promoted channel opening. These data suggest that ordering of the C-helix is part of the gating conformational change in cyclic nucleotide-regulated channels.

  12. Asymptotically flat radiative space-times with boost-rotation symmetry: The general structure

    SciTech Connect

    Biicak, J.; Schmidt, B. )

    1989-09-15

    This paper deals for the first time with boost-rotation-symmetric space-times from a unified point of view. Boost-rotation-symmetric space-times are the only explicitly known exact solutions of the Einstein vacuum field equations which describe moving singularities or black holes, are radiative and asymptotically flat in the sense that they admit global, though not complete, smooth null infinity, as well as spacelike and timelike infinities. They very likely represent the exterior fields of uniformly accelerated sources in general relativity and may serve as tests of various approximation methods, as nontrivial illustrations of the theory of the asymptotic structure of radiative space-times, and as test beds in numerical relativity. Examples are the {ital C}-metric or the solutions of Bonnor and Swaminarayan. The space-times are defined in a geometrical manner and their global properties are studied in detail, in particular their asymptotic structure. It is demonstrated how one can construct any asymptotically flat boost-rotation-symmetric space-time starting from the boost-rotation-symmetric solution of the flat-space wave equation. The problem of uniformly accelerated sources in special relativity is also discussed. The radiative properties and specific examples of the boost-rotation-symmetric space-times will be analyzed in a following paper.

  13. Effect of structure height on the drag reduction performance using rotating disk apparatus

    NASA Astrophysics Data System (ADS)

    Rashed, Musaab K.; Abdulbari, Hayder A.; Amran Mohd Salleh, Mohamad; Halim Shah Ismail, M.

    2017-02-01

    The drag reduction characteristics in a rotating disk apparatus were investigated by using structured disks with different riblet types and dimensions. Two disk types were fabricated with right angle triangular (RAT) grooves and space v-shape (SV) grooves, with six dimensions for each type. A high-accuracy rotating disk apparatus was fabricated and then used to investigate the turbulent drag reduction characterization of the disk in diesel fuel. In this work, the effects of several parameters are investigated; riblet types, riblet dimensions, and rotational disk speed (rpm) on the drag reduction performance. It was found that the surface structure of the disk reduced the drag, this was clearly seen from the comparison of torque values of smooth and structured disks. Drag reduction for structured disks was higher than that for smooth disks, and SV-grooves showed better drag reduction performance than RAT-grooves. In addition, it was observed that the drag reduction performance increased with decreasing groove height for both groove types. The maximum drag reduction achieved in this study was 37.368% for SV-groove at 1000 rpm, compared with 30% for RAT-groove, at the same rotational speed.

  14. 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.

  15. A Review of a Rotation to Obtain Maximum Similarity and Simple Structure Among Factor Patterns.

    ERIC Educational Resources Information Center

    Jensema, Carl

    Under some circumstances, it is desirable to compare the factor patterns obtained from different factor analyses. To date, the best method of simultaneously achieving simple structure and maximum similarity is the technique devised by Bloxom (1968). This technique simultaneously rotates different factor patterns to maximum similarity and varimax…

  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. Artificial Faraday rotation using a ring metamaterial structure without static magnetic field

    NASA Astrophysics Data System (ADS)

    Kodera, Toshiro; Sounas, Dimitrios L.; Caloz, Christophe

    2011-07-01

    A metamaterial structure composed of a periodic array of conductive rings including each a semiconductor-based isolator is experimentally shown to produce Faraday rotation. Due to the presence of the isolators, a unidirectional traveling-wave regime is established along the rings, generating rotating magnetic moments and hence emulating the phenomenon of electron spin precession. The metamaterial exhibits the same response as a magnetically biased ferrite or plasma, but without the need of any static magnetic field bias, and therefore, it is easily integrated in printed circuit technology.

  18. 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.

  19. 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

  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. 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.

  2. Probing the Structure, Pseudorotation, and Radial Vibrations of Cyclopentane by Femtosecond Rotational Raman Coherence Spectroscopy.

    PubMed

    Kowalewski, Philipp; Frey, Hans-Martin; Infanger, Daniel; Leutwyler, Samuel

    2015-11-12

    Femtosecond time-resolved Raman rotational coherence spectroscopy (RCS) is employed to determine accurate rotational, vibration–rotation coupling constants, and centrifugal distortion constants of cyclopentane (C5H10). Its lowest-frequency vibration is a pseudorotating ring deformation that interconverts 10 permutationally distinct but energetically degenerate "twist" minima interspersed by 10 "bent" conformers. While the individual twist and bent structures are polar asymmetric tops, the pseudorotation is fast on the time scale of external rotation, rendering cyclopentane a fluxionally nonpolar symmetric top molecule. The pseudorotational level pattern corresponds to a one-dimensional internal rotor with a pseudorotation constant Bps ≈ 2.8 cm(-1). The pseudorotational levels are significantly populated up to l = ± 13 at 298 K; <10% of the molecules are in the l = 0 level. The next-higher vibration is the “radial” ν23 ring deformation mode at 273 cm–1, which is far above the pseudorotational fundamental. Femtosecond Raman RCS measurements were performed in a gas cell at T = 293 K and in a pulsed supersonic jet at T ≈ 90 K. The jet cooling reduces the pseudorotational distribution to l < ±8 and eliminates the population of ν23, allowing one to determine the rotational constant as A0 = B0 = 6484.930(11) MHz. This value is ∼300 times more precise than the previous value. The fit of the RCS transients reveals that the rotation–pseudorotation coupling constant αe,psB = −0.00070(1) MHz is diminutive, implying that excitation of the pseudorotation has virtually no effect on the B0 rotational constant of cyclopentane. The smallness of αe,psB can be realized when comparing to the vibration–rotation coupling constant of the ν23 vibration, αe,23B = -9.547(1) MHz, which is about 104 times larger.

  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. Effects of spanwise rotation on the structure of two-dimensional fully developed turbulent channel flow.

    NASA Technical Reports Server (NTRS)

    Johnston, J. P.; Halleen, R. M.; Lezius, D. K.

    1972-01-01

    Experiments on fully developed turbulent flow in a channel which is rotating at a steady rate about a spanwise axis are described. The Coriolis force components in the region of two-dimensional mean flow affect both local and global stability. Three stability-related phenomena were observed or inferred: (1) the reduction (increase) of the rate of wall-layer streak bursting in locally stabilized (destabilized) wall layers; (2) the total suppression of transition to turbulence in a stabilized layer; (3) the development of large-scale roll cells on the destabilized side of the channel by growth of a Taylor-Gortler vortex instability. Local effects of rotational stabilization, such as reduction of the turbulent stress in wall layers, can be related to the local Richardson number in a simple way. This paper not only investigates this effect, but also, by methods of flow visualization, exposes some of the underlying structure changes caused by rotation.-

  5. 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.

  6. Rotating columns: relating structure-from-motion, accretion/deletion, and figure/ground.

    PubMed

    Froyen, Vicky; Feldman, Jacob; Singh, Manish

    2013-08-14

    We present a novel phenomenon involving an interaction between accretion deletion, figure-ground interpretation, and structure-from-motion. Our displays contain alternating light and dark vertical regions in which random-dot textures moved horizontally at constant speed but in opposite directions in alternating regions. This motion is consistent with all the light regions in front, with the dark regions completing amodally into a single large surface moving in the background, or vice versa. Surprisingly, the regions that are perceived as figural are also perceived as 3-D volumes rotating in depth (like rotating columns)-despite the fact that dot motion is not consistent with 3-D rotation. In a series of experiments, we found we could manipulate which set of regions is perceived as rotating volumes simply by varying known geometric cues to figure ground, including convexity, parallelism, symmetry, and relative area. Subjects indicated which colored regions they perceived as rotating. For our displays we found convexity to be a stronger cue than either symmetry or parallelism. We furthermore found a smooth monotonic decay of the proportion by which subjects perceive symmetric regions as figural, as a function of their relative area. Our results reveal an intriguing new interaction between accretion-deletion, figure-ground, and 3-D motion that is not captured by existing models. They also provide an effective tool for measuring figure-ground perception.

  7. Turbulent statistics and flow structures in spanwise-rotating turbulent plane Couette flows

    NASA Astrophysics Data System (ADS)

    Gai, Jie; Xia, Zhenhua; Cai, Qingdong; Chen, Shiyi

    2016-09-01

    A series of direct numerical simulations of spanwise-rotating turbulent plane Couette flows at a Reynolds number of 1300 with rotation numbers Ro between 0 and 0.9 is carried out to investigate the effects of anticyclonic rotation on turbulent statistics and flow structures. Several typical turbulent statistics are presented, including the mean shear rate at the centerline, the wall-friction Reynolds number, and volume-averaged kinetic energies with respect to the secondary flow field, turbulent field, and total fluctuation field. Our results show that the rotation changes these quantities in different manners. Volume-averaged balance equations for kinetic energy are analyzed and it turns out that the interaction term acts as a kinetic energy bridge that transfers energy from the secondary flow to the turbulent fluctuations. Several typical flow regimes are identified based on the correlation functions across the whole channel and flow visualizations. The two-dimensional roll cells are observed at weak rotation Ro=0.01 , where alternant clustering of vortices appears. Three-dimensional roll cells emerge around Ro≈0.02 , where the clustering of vortices shows the meandering and bifurcating behavior. For moderate rotation 0.07 ≲Ro≲0.36 , well-organized structures are observed, where the herringbonelike vortices are clustered between streaks from the top view of three-dimensional flow visualization and form annuluses. More importantly, the vortices are rather confined to one side of the walls when Ro≤0.02 and are inclined from the bottom to upper walls when Ro≥0.07 .

  8. Structure and internal rotation dynamics of the acetone-neon complex studied by microwave spectroscopy

    NASA Astrophysics Data System (ADS)

    Gao, Jiao; Seifert, Nathan A.; Thomas, Javix; Xu, Yunjie; Jäger, Wolfgang

    2016-12-01

    The microwave spectra of the van der Waals complexes acetone-20Ne and acetone-22Ne were measured using a cavity-based supersonic jet Fourier-transform microwave spectrometer in the region from 5 to 18 GHz. For these two isotopologues, both c- and weaker a-type transitions were observed. The transitions are split into multiplets due to the internal rotation of the two methyl groups in acetone. Initial electronic structure calculations were performed at the MP2/6-311++g (2d, p) level of theory and the internal rotation barrier height of the methyl groups was calculated to be ∼2.8 kJ/mol. The ab initio rotational constants were the basis for the spectroscopic searches, but the multiplet structures and floppiness of the complex made the quantum number assignment very difficult. The assignment was finally achieved with the aid of constructing closed frequency loops and predicting internal rotation splittings using the XIAM internal rotation program. The acetone methyl group tunneling barrier height was determined experimentally to be 3.10(6) kJ mol-1 [259(5) cm-1] in the acetone-Ne complex, which is lower than in the acetone monomer but comparable to the acetone-Ar complex (Kang et al., 2002). Experimental data and high-level CCSD(T)/aug-cc-pVTZ calculations suggest that the Ne atom lies directly above the plane formed by the carbonyl group and the two carbon-carbon bonds, which is different than the slightly offset position found previously in the acetone-Ar complex. Additionally, ab initio calculations and Quantum Theory of Atoms in Molecules analyses were used to analyze the methyl internal rotation motions in acetone and acetone-Ne.

  9. 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.

  10. Effect of cyclic treatment on the formation of a fragmented structure in a sparingly alloyed martensitic steel

    NASA Astrophysics Data System (ADS)

    Tabatchikova, T. I.; Yakovleva, I. L.; Delgado Reina, S. Yu.; Plokhikh, A. I.

    2016-11-01

    Methods of metallography and transmission electron microscopy were used to study the structure of a high-alloy low-carbon steel of martensitic VKS-10 class subjected to cyclic treatment according to different regimes. It has been found that the warm deformation in the α state at 700°C causes the fragmentation of the structure; however, the decomposition of the α solid solution and the precipitation of coarse carbides leads to a significant decrease in the strength. It has been shown that 12 cycles of treatment, including austenitizing at 1000°C, rolling at 700°C, and subsequent γ → α transformation during rapid cooling do not lead to a noticeable fragmentation of the structure. It has been found that the deformation of the overcooled austenite by rolling carried out using 12 cycles in the range of temperatures of 700-500°C and subsequent γ → α transformation lead to the formation of a fragmented structure with a large fraction of fine grains with a size less than 0.5 μm. This treatment and the subsequent tempering at 530°C for 1 h allow us to increase the strength and hardness of the VKS-10 steel at an insignificant decrease in the plasticity.

  11. Life Prediction for a Structural Material under Cyclic Loads with Hold Times Using a Viscoplastic Constitutive Model.

    DTIC Science & Technology

    1984-12-31

    times. The six material parameters of the viscoplastic theory were S evaluated from a series of strain - controlled stabilized cyclic loading tests, and...fatigue. Two sets of low cycle :ati;ue life predictions were carried out and compared with experimental data. One in- Valved strain - controlled cyclic... strain for a strain -time 0e input that produces stress relaxation. Figures 2.22-2.30 illustrate the effects of strain controlled cyclic loading. For

  12. 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.

  13. 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.

  14. Resistance of three-layered structures to static and cyclic bending

    NASA Astrophysics Data System (ADS)

    Bareishis, I. P.; Mikul'skas, A. V.; Paulauskas, V. V.

    1987-09-01

    The above studies of two types of three-layer structural elements showed that the types have different resistances to static deformation in bending. Regardless of the materials, the use of structures which are symmetrical in regard to stiffness makes it possible to obtain a stiffness and strength for the structure which are 10-15% lower than the stiffness and strength of the external plates if the thickness of the latter does not account for more than 25% of the thickness of the structure. This finding, in turn, permits a substantial reduction in the weight of the structure by the use of a lower-density material for the internal layer. Resistance to static bending is determined mainly by the resistance of the structure to shear stresses. The mechanism of fatigue fracture differs appreciably from the fracture mechanism in static deformation. Regardless of the thickness of the structural elements, fatigue fracture for both types of structure occurs as a result of the acting normal compressive stresses. The endurance limit of the hybrid structure is determined by the fatigue resistance of the external layers, and its value is nearly equal to the resistance of the "pure" materials.

  15. Rotational spectra and conformational structures of 1-phenyl-2-propanol, methamphetamine, and 1-phenyl-2-propanone.

    PubMed

    Tubergen, M J; Lavrich, R J; Plusquellic, D F; Suenram, R D

    2006-12-14

    Microwave spectra have been recorded for 1-phenyl-2-propanol, methamphetamine, and 1-phenyl-2-propanone from 11 to 24 GHz using a Fourier-transform microwave spectrometer. Only one spectrum from a single conformational isomer was observed for each species. The rotational transitions in the spectrum of 1-phenyl-2-propanone were split into separate transitions arising from the A- and E-torsional levels of the methyl rotor. The fit of the E-state transitions to a "high-barrier" internal rotation Hamiltonian determines V3 = 238(1) cm-1 and rotor-axis angles of thetaa = 87.7(5) degrees, thetab = 50.0(5) degrees, and thetac = 40.0(5) degrees. Ab initio optimizations (MP2/6-31G**) and single-point calculations (MP2/6-311++G**) were used to model the structures of 1-phenyl-2-propanol, methamphetamine, and 1-phenyl-2-propanone. The lowest energy conformations of these species were found to be stabilized by weak OH-pi, NH-pi, and CH-pi hydrogen-bonding interactions. Moments of inertia, derived from the model structures, were used to assign the spectra to the lowest energy conformation of each species. A series of MP2/6-31G* partial optimizations along the internal rotation pathway were used to estimate the barrier to methyl rotation to be 355 cm-1 for 1-phenyl-2-propanone.

  16. Structural Characterisation of Fenchone and its Complexes with Ethanol by Broadband Rotational Spectroscopy

    NASA Astrophysics Data System (ADS)

    Loru, Donatella; Sanz, M. Eugenia

    2016-06-01

    Although significant advances in understanding the human olfactory system have taken place over the last two decades, detailed information on how the interactions between odorants and olfactory receptors occur at the molecular level is still lacking. To achieve a better understanding on the molecular mechanisms involved in olfaction, we are investigating several odorants and their interactions with mimics of amino acid residues in olfactory receptors. We present here the structural characterisation of fenchone (C10H16O) and its complexes with ethanol (to mimic the side chain of serine) using a 2-8 GHz chirped-pulse Fourier transform microwave spectrometer built at King's College London. The rotational spectrum of the parent species and all the 13C and 18O isotopologues of fenchone was observed, and from the experimental rotational constants the substitution (r0) and effective (rs) structures of fenchone were determined. The rotational spectrum of fenchone-ethanol was observed by adding ethanol to the carrier gas and passing the mixture through a receptacle with fenchone. Several 1:1 complexes of fenchone-ethanol have been identified in the rotational spectrum. In all the complexes the ethanol molecule binds to the carbonyl group through an O-H· · · O hydrogen bond.

  17. 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.

  18. Methods of determining the margin of cyclic crack resistance of metal structures for hoisting machinery

    NASA Astrophysics Data System (ADS)

    Antsev, V. Yu; Tolokonnikov, A. S.; Vorobev, A. V.; Sakalo, V. I.

    2017-02-01

    In the course of manufacturing and operation, there can appear cracks in load-carrying metal structures which are hard to be detected till a definite moment. That is why in the course of designing metal structures, it is necessary to ensure their durability during possible existence of cracks up to the next routine inspection of a structure. For the prognostication of the durability of a structure with a crack, a research of coefficients of stress intensity on end-element models with crack-like defects of different length is carried out. As a result of this, a procedure for the definition of crack-resistance resource allowing the supposition of safe operation of a metal structure with a crack within the limits of recurrent routine works is developed.

  19. Electrochemical behavior of polyamides with cyclic disulfide structure and their application to positive active material for lithium secondary battery

    NASA Astrophysics Data System (ADS)

    Tsutsumi, Hiromori; Oyari, Yoshiaki; Onimura, Kenjiro; Oishi, Tsutomu

    Polyamides (DTA-I, DTA-II, and DTA-III) containing cyclic disulfide structure were prepared by condensation between 1,2-dithiane-3,6-dicarboxylic acid (DTA) and alkyl diamine, NH 2-(CH 2) n-NH 2 (DTA-I; n=4, DTA-II; n=6, DTA-III; n=8) and their application to positive active material for lithium secondary batteries was investigated. Cyclic voltammetry (CV) measurements under slow sweep rate (0.5 mV s -1) with a carbon paste electrode containing the polyamide (DTA-I, DTA-II, or DTA-III) were performed. The results indicated that the polyamides were electroactive in the organic electrolyte solution (propylene carbonate (PC)-1,2-dimethoxyethane (DME), 1:1 by volume containing lithium salt, such as LiClO 4). The responses based on the redox of the disulfide bonds in the polyamide were observed. Test cells, Li/PC-DME (1:1. by volume) with 1 mol dm -3 LiClO 4/the polyamide cathode, were constructed and their performance was tested under constant current charge/discharge condition. The average capacity of the test cells with the DTA-III cathode was 64.3 Ah kg -1 of cathode (135 Wh kg -1 of cathode, capacity (Ah kg -1) of the cathode×average cell voltage (2.10 V)). Performance of the cell with linear polyamide containing disulfide bond (-CO-(CH 2) 2-S-S-(CH 2) 2-CONH-(CH 2) 8-NH-, GTA-III) was also investigated and the average capacity was 56.8 Ah kg -1 of cathode (100 Wh kg -1 of cathode, capacity (Ah kg -1) of the cathode×average cell voltage (1.76 V)). Cycle efficiency of the test cell with the DTA-III cathode was higher than that with the GTA-III cathode.

  20. The study of coronal plasma structures and fluctuations with Faraday rotation measurements

    NASA Astrophysics Data System (ADS)

    Sakurai, Takayuki; Spangler, Steven R.

    1994-10-01

    We report dual-frequency, polarimetric measurements of Faraday rotation of extragalactic radio sources viewed through the solar corona. The observations were made at the Very Large Array in 1990 during solar maximum. Of the nine observed, an excess rotation measure of -12.6 rad/sq m was detected for one source (0010+005), which was observed at an elongation of about 9 solar radii. This measurement is in fair agreement with an a priori model rotation measure of -8.6 rad/sq m estimated from coronal potential field models and the electron density model of Paetzold et al. (1992). Our measurement provides a value for the coronal magnetic field strength at 9 solar radii given a knowledge of the magnetic field sector structure, of 12.5 +/- 2.3 mG. Rotation measurements of 0010+005 were made approximately once per hour over an 11 hr period. During this interval, a slow change of about 1 rad/sq m/hr in rotation measure was detected. Although we are not absolutely certain that this drift is not unremoved ionospheric Faraday rotation, extensive analysis of data from the other sources suggests that this is not the case (Sakurai & Spangler 1994). The very long timescale for this variation argues against the agency of magnetohydrodynamics (MHD) waves, and we suggest occultation of 0010+005 by relatively static plasma structures in the corona. We filtered our rotation measure time series to search for variations on an hourly timescale, such as those reported by Hollweg et al. (1992), which could be attributed to coronal MHD waves. We were unable to detect such fluctuations and can report only an upper limit to the rms variation of 1.6 rad/sq m. This upper limit is of the same order, but slightly larger than the values typically reported by Hollweg et al. (1982). This upper limit to the rotation measure fluctuations limits the dimensionless wave amplitude (delta B)/B in the corona to be less than 0.7. Using the number, we estimate the MHD wave flux at the coronal base to be less

  1. The study of coronal plasma structures and fluctuations with Faraday rotation measurements

    NASA Technical Reports Server (NTRS)

    Sakurai, Takayuki; Sprangler, Steven R.

    1994-01-01

    We report dual-frequency, polarimetric measurements of Faraday rotation of extragalactic radio sources viewed through the solar corona. The observations were made at the Very Large Array in 1990 during solar maximum. Of the nine observed, an excess rotation measure of -12.6 rad/sq m was detected for one source (0010+005), which was observed at an elongation of about 9 solar radii. This measurement is in fair agreement with an a priori model rotation measure of -8.6 rad/sq m estimated from coronal potential field models and the electron density model of Paetzold et al. (1992). Our measurement provides a value for the coronal magnetic field strength at 9 solar radii given a knowledge of the magnetic field sector structure, of 12.5 +/- 2.3 mG. Rotation measurements of 0010+005 were made approximately once per hour over an 11 hr period. During this interval, a slow change of about 1 rad/sq m/hr in rotation measure was detected. Although we are not absolutely certain that this drift is not unremoved ionospheric Faraday rotation, extensive analysis of data from the other sources suggests that this is not the case (Sakurai & Spangler 1994). The very long timescale for this variation argues against the agency of magnetohydrodynamics (MHD) waves, and we suggest occultation of 0010+005 by relatively static plasma structures in the corona. We filtered our rotation measure time series to search for variations on an hourly timescale, such as those reported by Hollweg et al. (1992), which could be attributed to coronal MHD waves. We were unable to detect such fluctuations and can report only an upper limit to the rms variation of 1.6 rad/sq m. This upper limit is of the same order, but slightly larger than the values typically reported by Hollweg et al. (1982). This upper limit to the rotation measure fluctuations limits the dimensionless wave amplitude (delta B)/B in the corona to be less than 0.7. Using the number, we estimate the MHD wave flux at the coronal base to be less

  2. Dislocation structures in the bands of localized cyclic plastic strain in austenitic 316L and austenitic-ferritic duplex stainless steels

    SciTech Connect

    Kruml, T.; Polak, J.; Obrtlik, K.; Degallaix, S.

    1997-12-01

    Dislocation structures in bands corresponding to cyclic strain localization have been studied in two types of stainless steels, single phase austenitic 316L steel and two-phase austenitic-ferritic duplex steel. Dislocation structures are documented in thin foils oriented approximately perpendicular to the active slip plane of individual grains and parallel to the primary Burgers vector. Persistent slip bands, with the structure more or less reminiscent of the well-known ladder structure, were found in austenitic grains of both steels. These bands can be correlated with the distinct surface relief consisting of extrusions, intrusions and shallow surface cracks in austenitic grains were found. The distribution of the wall and labyrinth structure embedded in the matrix structure in ferritic grains, which was proposed to be responsible for the localization of the cyclic strain, however, does not correspond to the distribution of the distinct surface slip lines on the surface.

  3. 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)

  4. 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.

  5. 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.

  6. Cyclic voltammetry and near edge X-ray absorption fine structure spectroscopy at the Ag L3-edge on electrochemical halogenation of Ag layers on Au(111)

    NASA Astrophysics Data System (ADS)

    Endo, Osamu; Nakamura, Masashi

    2011-05-01

    One to three layers of Ag grown on a Au(111) electrode were studied by cyclic voltammetry in chloride and bromide solutions and by ex-situ near-edge X-ray absorption fine structure spectroscopy at the Ag L3-edge (Ag L3-NEXAFS). The one and two layers obtained by underpotential deposition exhibited reduced intensity at the absorption edge in the Ag L3-NEXAFS spectra, which suggests the gain of d-electrons in these layers. The cyclic voltammograms and the Ag L3-NEXAFS spectra indicate that the second and third layers of Ag halogenated at positive potentials, whereas the first layer remained in metallic form.

  7. 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.

  8. Validation of structural analysis methods using the in-house liner cyclic rigs

    NASA Technical Reports Server (NTRS)

    Thompson, R. L.

    1982-01-01

    Test conditions and variables to be considered in each of the test rigs and test configurations, and also used in the validation of the structural predictive theories and tools, include: thermal and mechanical load histories (simulating an engine mission cycle; different boundary conditions; specimens and components of different dimensions and geometries; different materials; various cooling schemes and cooling hole configurations; several advanced burner liner structural design concepts; and the simulation of hot streaks. Based on these test conditions and test variables, the test matrices for each rig and configurations can be established to verify the predictive tools over as wide a range of test conditions as possible using the simplest possible tests. A flow chart for the thermal/structural analysis of a burner liner and how the analysis relates to the tests is shown schematically. The chart shows that several nonlinear constitutive theories are to be evaluated.

  9. 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

  10. 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.

  11. 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.

  12. Structure of the torque ring of the flagellar motor and the molecular basis for rotational switching

    SciTech Connect

    Lee, Lawrence K.; Ginsburg, Michael A.; Crovace, Claudia; Donohoe, Mhairi; Stock, Daniela

    2010-09-13

    The flagellar motor drives the rotation of flagellar filaments at hundreds of revolutions per second, efficiently propelling bacteria through viscous media. The motor uses the potential energy from an electrochemical gradient of cations across the cytoplasmic membrane to generate torque. A rapid switch from anticlockwise to clockwise rotation determines whether a bacterium runs smoothly forward or tumbles to change its trajectory. A protein called FliG forms a ring in the rotor of the flagellar motor that is involved in the generation of torque through an interaction with the cation-channel-forming stator subunit MotA. FliG has been suggested to adopt distinct conformations that induce switching but these structural changes and the molecular mechanism of switching are unknown. Here we report the molecular structure of the full-length FliG protein, identify conformational changes that are involved in rotational switching and uncover the structural basis for the formation of the FliG torque ring. This allows us to propose a model of the complete ring and switching mechanism in which conformational changes in FliG reverse the electrostatic charges involved in torque generation.

  13. 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.

  14. Band structures in a two-dimensional phononic crystal with rotational multiple scatterers

    NASA Astrophysics Data System (ADS)

    Song, Ailing; Wang, Xiaopeng; Chen, Tianning; Wan, Lele

    2017-03-01

    In this paper, the acoustic wave propagation in a two-dimensional phononic crystal composed of rotational multiple scatterers is investigated. The dispersion relationships, the transmission spectra and the acoustic modes are calculated by using finite element method. In contrast to the system composed of square tubes, there exist a low-frequency resonant bandgap and two wide Bragg bandgaps in the proposed structure, and the transmission spectra coincide with band structures. Specially, the first bandgap is based on locally resonant mechanism, and the simulation results agree well with the results of electrical circuit analogy. Additionally, increasing the rotation angle can remarkably influence the band structures due to the transfer of sound pressure between the internal and external cavities in low-order modes, and the redistribution of sound pressure in high-order modes. Wider bandgaps are obtained in arrays composed of finite unit cells with different rotation angles. The analysis results provide a good reference for tuning and obtaining wide bandgaps, and hence exploring the potential applications of the proposed phononic crystal in low-frequency noise insulation.

  15. 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 and transonic 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. The results from the exciter were compared with results from atmospheric turbulence excitation at the same flight conditions. 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.

  16. Evolution of dislocation structures in cyclically deformed NiAl-Fe

    SciTech Connect

    Kallingal, C.G.; Matsugi, K.; Stoloff, N.S.; Rajan, K.

    1995-08-01

    The microstructures of NiAl-Fe (Ni, 50.3at % Al, 0.28 at% Fe) polycrystals tested in HCF (high cycle fatigue) below and above the DBTT (ductile to brittle transition temperature) viz., 673 K, 823 K, 873 K and 928 K at different stress amplitudes were observed by transmission electron microscopy. The microstructure consisted of low energy dislocation networks and dislocation cells. The fundamental features of the dislocation structures are described. Misorientation angles between cells were measured from Kikuchi patterns obtained from cells through microdiffraction. The misorientations across the cell walls were found to increase with increase in the stress amplitude to which the material was subjected during cycling. The mechanisms for the formation and evolution of these structures are discussed on the basis of existing theoretical models. The implications of these substructures on the mechanical properties are also discussed.

  17. 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.

  18. Distinct molecular structures and hydrogen bond patterns of α,α-diethyl-substituted cyclic imide, lactam, and acetamide derivatives in the crystalline phase

    NASA Astrophysics Data System (ADS)

    Krivoshein, Arcadius V.; Ordonez, Carlos; Khrustalev, Victor N.; Timofeeva, Tatiana V.

    2016-10-01

    α,α-Dialkyl- and α-alkyl-α-aryl-substituted cyclic imides, lactams, and acetamides show promising anticonvulsant, anxiolytic, and anesthetic activities. While a number of crystal structures of various α-substituted cyclic imides, lactams, and acetamides were reported, no in-depth comparison of crystal structures and solid-state properties of structurally matched compounds have been carried out so far. In this paper, we report molecular structure and intermolecular interactions of three α,α-diethyl-substituted compounds - 3,3-diethylpyrrolidine-2,5-dione, 3,3-diethylpyrrolidin-2-one, and 2,2-diethylacetamide - in the crystalline phase, as studied using single-crystal X-ray diffraction and IR spectroscopy. We found considerable differences in the patterns of H-bonding and packing of the molecules in crystals. These differences correlate with the compounds' melting points and are of significance to physical pharmacy and formulation development of neuroactive drugs.

  19. THE ROTATING MOLECULAR STRUCTURES AND THE IONIZED OUTFLOW ASSOCIATED WITH IRAS 16547-4247

    SciTech Connect

    Franco-Hernandez, Ramiro; Moran, James M.; RodrIguez, Luis F.; Garay, Guido

    2009-08-20

    We present Very Large Array 1.3 cm radio continuum and water maser observations as well as Submillimeter Array SO{sub 2} (226.300 GHz) and 1.3 mm dust continuum observations toward the massive star formation region IRAS 16547-4247. We find evidence of multiple sources in the central part of the region. There is evidence of a rotating structure associated with the most massive of these sources, traced at small scales ({approx}50 AU) by the water masers. At large scales ({approx}1000 AU), we find a velocity gradient in the SO{sub 2} molecular emission with a barely resolved structure that can be modeled as a rotating ring or two separate objects. The velocity gradients of the masers and of the molecular emission have the same sense and may trace the same structure at different size scales. The position angles of the structures associated with the velocity gradients are roughly perpendicular to the outflow axis observed in radio continuum and several molecular tracers. We estimate the mass of the most massive central source to be around 30 solar masses from the velocity gradient in the water maser emission. The main source of error in this estimate is the radius of the rotating structure. We also find water masers that are associated with the large-scale molecular outflow of the system, as well as water masers that are associated with other sources in the region. Our results suggest that the formation of this source, one of the most luminous protostars or protostellar clusters known, is taking place with the presence of ionized jets and disk-like structures.

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

    PubMed

    Bondar, Volodimir I; Danilchenko, Vitalij Ie; Dzevin, Ievgenij M

    2014-02-24

    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.

  1. Triaxial-band structures, chirality, and magnetic rotation in 133La

    NASA Astrophysics Data System (ADS)

    Petrache, C. M.; Chen, Q. B.; Guo, S.; Ayangeakaa, A. D.; Garg, U.; Matta, J. T.; Nayak, B. K.; Patel, D.; Meng, J.; Carpenter, M. P.; Chiara, C. J.; Janssens, R. V. F.; Kondev, F. G.; Lauritsen, T.; Seweryniak, D.; Zhu, S.; Ghugre, S. S.; Palit, R.

    2016-12-01

    The structure of 133La has been investigated using the (22Ne 116Cd,4 p n ) reaction and the Gammasphere array. Three new bands of quadrupole transitions and one band of dipole transitions are identified and the previously reported level scheme is revised and extended to higher spins. The observed structures are discussed using the cranked Nilsson-Strutinsky formalism, covariant density functional theory, and the particle-rotor model. Triaxial configurations are assigned to all observed bands. For the high-spin bands it is found that rotations around different axes can occur, depending on the configuration. The orientation of the angular momenta of the core and of the active particles is investigated, suggesting chiral rotation for two nearly degenerate dipole bands and magnetic rotation for one dipole band. It is shown that the h11 /2 neutron holes present in the configuration of the nearly degenerate dipole bands have significant angular momentum components not only along the long axis but also along the short axis, contributing to the balance of the angular momentum components along the short and long axes and thus giving rise to a chiral geometry.

  2. Triaxial-band structures, chirality, and magnetic rotation in La133

    DOE PAGES

    Petrache, C. M.; Chen, Q. B.; Guo, S.; ...

    2016-12-05

    The structure of 133La has been investigated using the 116Cd(22Ne,4pn) reaction and the Gammasphere array. Three new bands of quadrupole transitions and one band of dipole transitions are identified and the previously reported level scheme is revised and extended to higher spins. The observed structures are discussed using the cranked Nilsson-Strutinsky formalism, covariant density functional theory, and the particle-rotor model. Triaxial configurations are assigned to all observed bands. For the high-spin bands it is found that rotations around different axes can occur, depending on the configuration. The orientation of the angular momenta of the core and of the activemore » particles is investigated, suggesting chiral rotation for two nearly degenerate dipole bands and magnetic rotation for one dipole band. As a result, it is shown that the h11/2 neutron holes present in the configuration of the nearly degenerate dipole bands have significant angular momentum components not only along the long axis but also along the short axis, contributing to the balance of the angular momentum components along the short and long axes and thus giving rise to a chiral geometry.« less

  3. INTERNAL STRUCTURE OF ASTEROIDS HAVING SURFACE SHEDDING DUE TO ROTATIONAL INSTABILITY

    SciTech Connect

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

    2015-07-20

    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.

  4. 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.

  5. Self-assembly of linear and cyclic siloxane-containing mesogens: investigation of layered structures in bulk and thin films.

    PubMed

    Heinz, Paul; Hindelang, Konrad; Golosova, Anastasia; Papadakis, Christine M; Rieger, Bernhard

    2011-12-23

    Silicon-containing materials which possess the ability to form mesophases are promising systems for applications in the fields of electro-optical devices, nonlinear optics, and information storage media. In this work, the formation of supramolecular assemblies of a series of low molecular weight siloxane-containing mesogens is presented. Besides a novel synthesis route via Ru(II) -catalyzed hydrosilylation of phenyl acetylene derivatives, mesophase characterization by modern analysis techniques is performed. As linker groups, leading to bi- and tetramesogens, linear disiloxane and cyclic tetrasiloxane are utilized. In the resulting class of materials, high thermal stability, induced by the formation of layered smectic-type structures, is predominant. The smectic-type phases were found to be monotropic. Layer distances in the assemblies, as well as the phase transition temperatures, can be controlled by the substitution motif on the mesogens (number and length of alkyl chains). In spin-cast thin films, the layered domains are visualized by atomic force microscopy; furthermore, domain dimensions and electron densities are determined by grazing-incidence small-angle X-ray scattering.

  6. Structural and Functional Analysis of STING Sheds New Light on Cyclic di-GMP Mediated Immune Signaling Mechanism

    PubMed Central

    Ouyang, Songying; Song, Xianqiang; Wang, Yaya; Ru, Heng; Shaw, Neil; Jiang, Yan; Niu, Fengfeng; Zhu, Yanping; Qiu, Weicheng; Parvatiyar, Kislay; Li, Yang; Zhang, Rongguang; Cheng, Genhong; Liu, Zhi-Jie

    2012-01-01

    SUMMARY STING is an essential signaling molecule for DNA and cyclic di-GMP (c-di-GMP)-mediated type I interferon (IFN) production via TANK-binding kinase 1 (TBK1) and Interferon regulatory factor 3 (IRF3) pathway. It contains an N-terminal transmembrane region and a cytosolic C-terminal domain (CTD). Here, we describe crystal structures of STING CTD alone and complexed with c-di-GMP in a unique binding mode. The strictly conserved AA153-173 region was shown to be cytosolic and participated in dimerization via hydrophobic interactions. The STING CTD functions as a dimer and the dimerization was independent of post-translational modifications. Binding of c-di-GMP enhanced interaction of a shorter construct of STING CTD (residues 139-344) with TBK1. This suggests an extra TBK1 binding site, other than Ser358. This study provides a glimpse into the unique architecture of STING and sheds new light on the mechanism of c-di-GMP-mediated TBK1 signaling. PMID:22579474

  7. Effect of multilayer structure on cyclic performance of Si/Fe anode electrode in lithium-ion secondary batteries.

    PubMed

    Kang, Hee-Kook; Lee, Seong-Rae; Cho, Won Il; Won Cho, Byung

    2013-02-07

    A buffer-strengthened Si/Fe multilayer film, consisting of amorphous silicon layers and polycrystalline Fe layers, is investigated as the anode for Li-ion batteries. This film can achieve a stable cycle-life performance with a high capacity. Decreasing the thickness of the Fe layer can lead to a higher capacity, which is related to the fast transport of the Li ion, but the cyclic performance deteriorates with repeated cycling. In contrast, increasing the thickness of the Fe buffer layers and the number of deposit stacks improves the cycle life with high reversibility. Because of the strain in the Si layers suppressed by the primary multilayer structure, the long-term strength is preserved and the substantial fracture toughness is enhanced by the increasing numbers of effective grain boundaries and interfacial layers. In addition, we demonstrate that the Ti underlayer promotes the electrochemical properties in the Si/Fe multilayer for various Fe layer thicknesses because of the enhanced adhesion of the interfacial electrode and current collector. The mechanically optimized Si/Fe multilayer films can have superior cycle-life performances and higher capacities. Notably, the 16-bilayer deposited electrode exhibits an excellent capacity retention of ~95% with ~204 mAh g(-1) over 300 cycles at a 1 C rate.

  8. 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)

  9. A numerical method for generating rapidly rotating bipolytropic structures in equilibrium

    NASA Astrophysics Data System (ADS)

    Kadam, Kundan; Motl, Patrick M.; Frank, Juhan; Clayton, Geoffrey C.; Marcello, Dominic C.

    2016-10-01

    We demonstrate that rapidly rotating bipolytropic (composite polytropic) stars and toroidal discs can be obtained using Hachisu's self-consistent field technique. The core and the envelope in such a structure can have different polytropic indices and also different average molecular weights. The models converge for high T/|W| cases, where T is the kinetic energy and W is the gravitational energy of the system. The agreement between our numerical solutions with known analytical as well as previously calculated numerical results is excellent. We show that the uniform rotation lowers the maximum core mass fraction or the Schönberg-Chandrasekhar limit for a bipolytropic sequence. We also discuss the applications of this method to magnetic braking in low-mass stars with convective envelopes.

  10. 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.

  11. 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).

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

    PubMed

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

    2012-07-14

    Supported by accurate quantum-chemical calculations, the rotational spectra of the mono- and bi-deuterated species of fluoroiodomethane, CHDFI and CD(2)FI, as well as of the (13)C-containing species, (13)CH(2)FI, 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 CH(2)FI 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); G. Cazzoli, A. Baldacci, A. Baldan, and C. Puzzarini, Mol. Phys. 109, 2245 (2011)] 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).

  13. Cyclic Opioid Peptides.

    PubMed

    Remesic, Michael; Lee, Yeon Sun; Hruby, Victor J

    2016-01-01

    For decades the opioid receptors have been an attractive therapeutic target for the treatment of pain. Since the first discovery of enkephalin, approximately a dozen endogenous opioid peptides have been known to produce opioid activity and analgesia, but their therapeutics have been limited mainly due to low blood brain barrier penetration and poor resistance to proteolytic degradation. One versatile approach to overcome these drawbacks is the cyclization of linear peptides to cyclic peptides with constrained topographical structure. Compared to their linear parents, cyclic analogs exhibit better metabolic stability, lower offtarget toxicity, and improved bioavailability. Extensive structure-activity relationship studies have uncovered promising compounds for the treatment of pain as well as further elucidate structural elements required for selective opioid receptor activity. The benefits that come with employing cyclization can be further enhanced through the generation of polycyclic derivatives. Opioid ligands generally have a short peptide chain and thus the realm of polycyclic peptides has yet to be explored. In this review, a brief history of designing ligands for the opioid receptors, including classic linear and cyclic ligands, is discussed along with recent approaches and successes of cyclic peptide ligands for the receptors. Various scaffolds and approaches to improve bioavailability are elaborated and concluded with a discourse towards polycyclic peptides.

  14. Performance analysis of continuous tracking laser Doppler vibrometry applied to rotating structures in coast-down

    NASA Astrophysics Data System (ADS)

    Martarelli, M.; Castellini, P.

    2012-06-01

    In this paper a performance analysis of the so-called tracking continuous scanning laser Doppler vibrometry (TCSLDV) exploited in coast-down has been performed. This non-contact measurement system is able to scan continuously over a rotating surface during coast-down and to determine vibration operational deflection shapes (ODSs) and natural frequencies in short time, i.e. the temporal extent of the coast-down. The method is based on a laser Doppler vibrometer (LDV) whose laser beam is driven to scan continuously over the whole rotor surface synchronously with its rotation, so that the LDV output is modulated by the structure's ODSs. This technique has a full-field nature that enables it to measure simultaneously the time and spatial dependence of the vibration in a unique measurement. However, the TCSLDV presents some criticalities in practical applications, especially when applied to rotary transient and fast processes. In fact, if the vibration is transient and decays very fast, then the laser beam could not have had the time to scan the complete structure surface and the modulation of the ODS could be partial. An analytical model reproducing a representative experiment has been developed in order to evaluate the sensitivity of results to testing conditions. The laser beam trajectory in both the fixed and rotating reference systems has been synthesized showing its dependence on experimental parameters as the rotation speed variation during coast-down. It has been demonstrated the decrease in speed induces the deformation of the laser trajectory influencing the LDV output time history, spectrum and consequently the recovered ODS.

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

    PubMed

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

    2014-03-22

    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.

  16. Effect of cyclic freeze-thawing process on the structure and properties of collagen.

    PubMed

    Ding, Cuicui; Zhang, Min; Li, Guoying

    2015-09-01

    The influence of freeze-thawing cycles (named 'N') on the rheological and thermal properties of bovine skin collagen solution was investigated using a rheometer and differential scanning calorimetry (DSC). The results of dynamic frequency sweep tests showed that the elasticity of collagen increased as N increased to 3, 5 and 7. Especially, after the freeze-thawing cycles of N=7, the recovery capacity of collagen remarkably increased (from 17.76% to 74.98%) and the hysteresis loop areas of collagen also became larger (from 95.53 to 218.24 Pa/s). Moreover, DSC and non-isothermal kinetic analysis revealed that although the freeze-thawing process had little impact on the thermal denaturation temperature, the endothermic enthalpy was increased by 73% when N=7, as estimated from the area under the endothermic peak and from the Friedman isoconversional method. In addition, as observed by atomic force microscopy (AFM), the fibers of collagen became thicker after the process of freeze-thawing cycles, indicating that the aggregation of collagen molecules was enhanced in the process of freeze-thawing. Meanwhile, the morphology of freeze-thawed collagen sponge examined by scanning electron microscopy (SEM) exhibited a porous network structure, and the pores became more regular with increasing N.

  17. Triplet excited states of cyclic disulfides and related compounds: electronic structures, geometries, energies, and decay.

    PubMed

    Ginagunta, Saroja; Bucher, Götz

    2011-02-03

    We have performed a computational study on the properties of a series of heterocycles bearing two adjacent heteroatoms, focusing on the structures and electronic properties of their first excited triplet states. If the heteroatoms are both heavy chalcogens (S, Se, or Te) or isoelectronic species, then the lowest excited triplet state usually has (π*, σ*) character. The triplet energies are fairly low (30-50 kcal mol(-1)). The (π*, σ*) triplet states are characterized by a significantly lengthened bond between the two heteroatoms. Thus, in 1,2-dithiolane (1b), the S-S bond length is calculated to be 2.088 Å in the singlet ground state and 2.568 Å in the first triplet excited state. The spin density is predicted to be localized almost exclusively on the sulfur atoms. Replacing one heavy chalcogen atom by an oxygen atom or an NR group results in a significant destabilization of the (π*, σ*) triplet excited state, which then no longer is lower in energy than an open-chain biradical. The size of the heterocyclic ring also contributes to the stability of the (π*, σ*) triplet state, with five-membered rings being more favorable than six-membered rings. Benzoannulation, finally, usually lowers the energy of the (π*, σ*) triplet excited states. If one of the heteroatoms is an oxygen or nitrogen atom, however, the corresponding lowest triplet states are better described as σ,π-biradicals.

  18. Disordered amyloidogenic peptides may insert into the membrane and assemble into common cyclic structural motifs

    PubMed Central

    Jang, Hyunbum; Arce, Fernando Teran; Ramachandran, Srinivasan; Kagan, Bruce L.; Lal, Ratnesh; Nussinov, Ruth

    2014-01-01

    Aggregation of disordered amyloidogenic peptides into oligomers is the causative agent of amyloid-related diseases. In solution, disordered protein states are characterized by heterogeneous ensembles. Among these, β-rich conformers self-assemble via a conformational selection mechanism to form energetically-favored cross-β structures, regardless of their precise sequences. These disordered peptides can also penetrate the membrane, and electrophysiological data indicate that they form ion-conducting channels. Based on these and additional data, including imaging and molecular dynamic simulations of a range of amyloid peptides, Alzheimer’s amyloid-β (Aβ) peptide, its disease-related variants with point mutations and N-terminal truncated species, other amyloidogenic peptides, as well as a cytolytic peptide and a synthetic gel-forming peptide, we suggest that disordered amyloidogenic peptides can also present a common motif in the membrane. The motif consists of curved, moon-like β-rich oligomers associated into annular organizations. The motif is favored in the lipid bilayer since it permits hydrophobic side chains to face and interact with the membrane and the charged/polar residues to face the solvated channel pores. Such channels are toxic since their pores allow uncontrolled leakage of ions into/out of the cell, destabilizing cellular ionic homeostasis. Here we detail Aβ, whose aggregation is associated with Alzheimer’s disease (AD) and for which there are the most abundant data. AD is a protein misfolding disease characterized by a build-up of Aβ peptide as senile plaques, neurodegeneration, and memory loss. Excessively produced Aβ peptides may directly induce cellular toxicity, even without the involvement of membrane receptors through Aβ peptide-plasma membrane interactions. PMID:24566672

  19. Comparing binary systems from rotating parent gas structures with different total masses

    NASA Astrophysics Data System (ADS)

    Arreaga-García, Guillermo

    2017-03-01

    In this paper we continue the investigation reported by Arreaga-Garcia (Rev. Mex. Astron. Astrofís. 52(1):1-15, 2016) concerning the morphology of binary configurations obtained via the collapse of rotating parent gas structures with total masses in the range of MT= 1 to 5 M_{⊙}. Here we extend the mass range and consider the collapse of two uniform gas clumps of MT = 50 and 400 M_{⊙}, so that they also rotate rigidly in such a way that its approximate virial parameter takes the values of 0.5, 1.5, and 2.5 and their collapse is induced initially by implementing an azimuthal mass perturbation. To assess the effects of the total mass of the parent gas structure on the nature of the resulting binary configurations, we also consider the collapse of two cores of MT = 1 and 5 M_{⊙}. We calculate the collapse of all these parent gas structures using three values of the ratio of thermal energy to potential energy, α, and for two values of the mass perturbation amplitude. For most of our models, we next calculate the extreme value of the ratio of rotational energy to potential energy, β, so that a model with a slightly higher β value would no longer collapse. We finally calculate the binary separations, masses and some integral properties of the binary fragments, the αf and βf and present them in terms of the total mass of the parent structure.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  4. Rotational spectroscopy and equilibrium structures of S3 and S4.

    PubMed

    Thorwirth, S; McCarthy, M C; Gottlieb, C A; Thaddeus, P; Gupta, H; Stanton, J F

    2005-08-01

    The sulfur molecules thiozone S3 and tetrasulfur S4 have been observed in a supersonic molecular beam in the centimeter-wave band by Fourier transform microwave spectroscopy, and in the millimeter- and submillimeter-wave bands in a low-pressure glow discharge. For S3 over 150 rotational transitions between 10 and 458 GHz were measured, and for S4 a comparable number between 6 and 271 GHz. The spectrum of S3 is reproduced to within the measurement uncertainties by an asymmetric top Hamiltonian with three rotational and 12 centrifugal distortion constants; ten distortion constants, but an additional term to account for very small level shifts caused by interchange tunneling, are required to reproduce to comparable accuracy the spectrum of S4. Empirical equilibrium (r(e)(emp)) structures of S3 and S4 were derived from experimental rotational constants of the normal and sulfur-34 species and vibrational corrections from coupled-cluster theory calculations. Quantum chemical calculations show that interchange tunneling occurs because S4 automerizes through a transition state with D2h symmetry which lies about 500 cm(-1) above the two equivalent C2upsilon minima on the potential energy surface.

  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.

  6. Cyclic multiverses

    NASA Astrophysics Data System (ADS)

    Marosek, Konrad; Dąbrowski, 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.

  7. An experimental study on columnar vortex structures in rotating Rayleigh-Benard convection

    NASA Astrophysics Data System (ADS)

    Tasaka, Yuji; Fujita, Kodai; Murai, Yuichi; Yanagisawa, Takatoshi

    2016-11-01

    A scanning PIV system was developed to investigate columnar vortex structures in rotating Rayleigh-Benard convection in a range of Taylor number, 6 . 0 ×106 <= Ta <= 1 . 0 ×108 , at constant Rayleigh number, Ra = 1 . 0 ×107 . Horizontal vortex advection that is much slower than the vertical scanning motion by a motor driven stage of a laser light sheet allows capturing quasi-instantaneous 3D vortex structures. Vortex distributions at each scanning plane were represented by contour of stream function calculated from a planner velocity vector field measured by PIV with assuming quasi-two dimensional flow field at the planes. 3D structure at each Ta number was visualized by iso-surface of the stream function and the vertical velocity component was estimated from the planner velocity fields via equation of continuity for incompressible fluids. These results suggested that the flow transportation is emphasized by straightening of the columnar vortices with increasing Ta . This may correspond to improvement of Nusselt number with background rotation at the present range of Ta .

  8. Intelligent Method for Diagnosing Structural Faults of Rotating Machinery Using Ant Colony Optimization

    PubMed Central

    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

  9. 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.

  10. First identification of rotational band structures in 91 75 166Re

    NASA Astrophysics Data System (ADS)

    Li, H. J.; Doncel, M.; Patial, M.; Cederwall, B.; Bäck, T.; Jakobsson, U.; Auranen, K.; Bönig, S.; Drummond, M.; Grahn, T.; Greenlees, P.; HerzáÅ, A.; Joss, D. T.; Julin, R.; Juutinen, S.; Konki, J.; Kröll, T.; Leino, M.; McPeake, C.; O'Donnell, D.; Page, R. D.; Pakarinen, J.; Partanen, J.; Peura, P.; Rahkila, P.; Ruotsalainen, P.; Sandzelius, M.; Sarén, J.; Sayǧı, B.; Scholey, C.; Sorri, J.; Stolze, S.; Taylor, M. J.; Thornthwaite, A.; Uusitalo, J.; Xiao, Z. G.

    2015-07-01

    Excited states in the odd-odd, highly neutron-deficient nucleus 166Re have been investigated via the 92Mo(78Kr,3 p 1 n )166Re reaction. Prompt γ rays were detected by the JUROGAM II γ -ray spectrometer, and the recoiling fusion-evaporation products were separated by the recoil ion transport unit (RITU) gas-filled recoil separator and implanted into the Gamma Recoil Electron Alpha Tagging spectrometer located at the RITU focal plane. The tagging and coincidence techniques were applied to identify the γ -ray transitions in 166Re, revealing two collective, strongly coupled rotational structures, for the first time. The more strongly populated band structure is assigned to the π h11 /2[514 ] 9 /2-⊗ν i13 /2[660 ] 1 /2+ Nilsson configuration, while the weaker structure is assigned to be built on a two-quasiparticle state of mixed π h11 /2[514 ] 9 /2-⊗ν [h9 /2f7 /2] 3 /2- character. The configuration assignments are based on the electromagnetic characteristics and rotational properties, in comparison with predictions from total Routhian surface and particle-rotor model calculations.

  11. 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.

  12. Imaging of polarization rotation in transmission resonances of periodic plasmonic structures

    NASA Astrophysics Data System (ADS)

    Arora, Pankaj; Krishnan, Ananth

    2014-05-01

    We imaged polarization rotation of transmitted light in 1D Periodic Plasmonic Structures (PPS) fabricated on thin metal coated dielectric substrate. Several PPS of 50% duty cycle and extremely low aspect ratio (height to width ratio) of 0.1 were designed using rigorous coupled wave analysis to exhibit transmission plasmonic resonances at optical wavelengths (400 nm to 700 nm). PPS were fabricated using electron beam lithography, evaporation and lift-off process on glass substrates coated with thin metal. The PPS were characterized using normally incident broadband visible light and crossaxis Polarizer Analyzer setup, with the transmitted light imaged in direct and momentum space using a camera. When the cross axis Polarizer Analyzer were positioned at +45° & -45° respectively w.r.t. plane of incidence, bright emissions of Green, Yellow or Red colors corresponding to transmission plasmonic resonances of the PPS with different periods, were observed in both direct and Fourier planes, instead of completely dark images. From the measured emission momentum in Fourier plane images and spectra of collected light, the emissions were attributed to the excitations of surface plasmons and the reason for surface plasmon excitation in this arrangement is strong coupling of hybrid modes with each other caused by the anisotropy introduced by grating which strongly enhances the efficiency of Polarization rotation. The presented structures behave as frequency selective half wave plates in transmission configuration and could also be used to eliminate the effect of direct beam while imaging the coupling to surface plasmons in periodic structures.

  13. 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.

  14. Rotational and Fine Structure of Pseudo-Jahn Molecules with C_1 Symmetry

    NASA Astrophysics Data System (ADS)

    Liu, Jinjun

    2016-06-01

    It has been found in our previous works that rotational and fine-structure analysis of spectra involving nearly degenerate electronic states may aid in interpretation and analysis of the vibronic structure, specifically in the case of pseudo-Jahn-Teller (pJT) molecules with C_s symmetry. The spectral analysis of pJT derivatives (isopropoxy and cyclohexoxy of a prototypical JT molecule (the methoxy radical) allowed for quantitative determination of various contributions to the energy separation between the nearly degenerate electronic states, including the relativistic spin-orbit (SO) effect, the electrostatic interaction, and their zero-point energy difference. These states are coupled by SO and Coriolis interactions, which can also be determined accurately in rotational and fine structure analysis. Most recently, the spectroscopic model for rotational analysis of pJT molecules has been extended for analysis of molecules with C_1 symmetry, i.e., no symmetry. This model includes the six independently determinable components of the spin-rotation (SR) tensor and the three components of the SO and Coriolis interactions. It has been employed to simulate and fit high-resolution laser-induced fluorescence (LIF) spectra of jet-cooled alkoxy radicals with C_1 symmetry, including the 2-hexoxy and the 2-pentoxy radicals, as well as previously recorded LIF spectrum of the trans-conformer (defined by its OCCC dihedral angle) of the 2-butoxy radical. Although the LIF spectra can be reproduced by using either the SR constants or SO and Coriolis constants, the latter simulation offers results that are physically more meaningful whereas the SR constants have to be regarded as effective constants. Furthermore, we will review the SO and Coriolis constants of alkoxy radicals that have been investigated, starting from the well-studied methoxy radical (CH_3O). J. Liu, D. Melnik, and T. A. Miller, J. Chem. Phys. 139, 094308 (2013) J. Liu and T. A. Miller, J. Phys. Chem. A 118, 11871

  15. On the structure and dynamics of stationary and rotating spherical diffusion flames

    NASA Astrophysics Data System (ADS)

    Yoo, Sean Won S.

    This dissertation research is concerned with diffusion flames generated by a porous spherical burner. It consists of two parts: the structure and extinction of weakly buoyant, nearly spherical, stationary flames, and the structure and dynamics of these flames in response to rotation of the burner in micro-gravity. In the first part of the investigation, normal-gravity experiments were conducted with nearly spherical, inverse diffusion flames of small density difference with the ambient to study the chemiluminescent flame structure and oscillatory extinction. The flames were imaged by a UV camera, with narrow-band-limited filters corresponding to electronically excited OH and CH. The experimental results were then compared with computations allowing for detailed chemistry and transport. While the comparison was very satisfactory for the hydrogen flames, OH* chemiluminescence exhibited two peaks for the hydrogen/methane flames, demonstrating the importance of the H + O + M ⇄ OH* + M reaction. By decreasing the reactant concentrations in the ambient, the transient extinction behavior of these flames was also studied. In particular, pulsating instabilities were experimentally observed and measured for a spherical diffusion flame. This was further validated by comparing the measured frequency of oscillations to that obtained from computations, showing good agreement. In the second part of the investigation, the coupled effects of the rotational motion and non-unity Lewis number diffusion for both fuel and oxidizer were first studied theoretically through perturbation analysis. The analysis showed that the rotational motion induces a secondary flow that distorts the otherwise spherical flame into a pancake shape. The flame temperature was also affected, such that the flame became more susceptible to extinction either at the poles or the equator depending on the system Lewis numbers. Microgravity experiments were subsequently conducted at the NASA Glenn Research Center

  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. 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. The structures of fluorene-(H2O)1,2 determined by rotational coherence spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2003-07-01

    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-(H2O)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 S1←S0 R2PI spectra of FL-(H2O)1,2. RCS simulations and diagonalization of the moment of inertia tensor have been used to obtain 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 resides above the central five member ring and interacts with both aromatic sites; (ii) the water molecules in FL-(H2O)2 form a water dimer that is most likely oriented along the long axis of fluorene and is hydrogen-bonded to both aromatic sites. The S1←S0 R2PI spectra of FL-(D2O)1,2 and FL-HDO have also been obtained. The 000 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 internal rotation of the water molecule on a potential energy surface that changes upon electronic excitation. Lastly, the use of RCS and 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. Pulsar Rotation Measures and the Large-Scale Structure of the Galactic Magnetic Field

    NASA Astrophysics Data System (ADS)

    Han, J. L.; Manchester, R. N.; Lyne, A. G.; Qiao, G. J.; van Straten, W.

    2006-05-01

    The large-scale magnetic field of our Galaxy can be probed in three dimensions using Faraday rotation of pulsar signals. We report on the determination of 223 rotation measures from polarization observations of relatively distant southern pulsars made using the Parkes radio telescope. Combined with previously published observations, these data give clear evidence for large-scale counterclockwise fields (viewed from the north Galactic pole) in the spiral arms interior to the Sun and weaker evidence for a counterclockwise field in the Perseus arm. However, in interarm regions, including the solar neighborhood, we present evidence that suggests that large-scale fields are clockwise. We propose that the large-scale Galactic magnetic field has a bisymmetric structure with reversals on the boundaries of the spiral arms. Streaming motions associated with spiral density waves can directly generate such a structure from an initial, inwardly directed radial field. Large-scale fields increase toward the Galactic center, with a mean value of about 2 μG in the solar neighborhood and 4 μG at a galactocentric radius of 3 kpc.

  20. 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).

  1. Optimization and Validation of Rotating Current Excitation with GMR Array Sensors for Riveted Structures Inspection

    PubMed Central

    Ye, Chaofeng; Udpa, Lalita; Udpa, Satish

    2016-01-01

    In eddy current non-destructive testing of a multi-layered riveted structure, rotating current excitation, generated by orthogonal coils, is advantageous in providing sensitivity to defects of all orientations. However, when used with linear array sensors, the exciting magnetic flux density (Bx) of the orthogonal coils is not uniform over the sensor region, resulting in an output signal magnitude that depends on the relative location of the defect to the sensor array. In this paper, the rotating excitation coil is optimized to achieve a uniform Bx field in the sensor array area and minimize the probe size. The current density distribution of the coil is optimized using the polynomial approximation method. A non-uniform coil design is derived from the optimized current density distribution. Simulation results, using both an optimized coil and a conventional coil, are generated using the finite element method (FEM) model. The signal magnitude for an optimized coil is seen to be more robust with respect to offset of defects from the coil center. A novel multilayer coil structure, fabricated on a multi-layer printed circuit board, is used to build the optimized coil. A prototype probe with the optimized coil and 32 giant magnetoresistive (GMR) sensors is built and tested on a two-layer riveted aluminum sample. Experimental results show that the optimized probe has better defect detection capability compared with a conventional non-optimized coil. PMID:27649202

  2. Rotational spectrum, structure and modeling of the SO 2-OCS complex

    NASA Astrophysics Data System (ADS)

    Peebles, S. A.; Sun, L. H.; Ioannou, I. I.; Kuczkowski, R. L.

    1999-08-01

    The microwave spectra of the SO 2-OCS complex and three of its isotopomers have been observed with a Fourier transform microwave spectrometer. The rotational constants of the normal species were determined as A=4841.4187(17) MHz, B=974.7763(4) MHz and C=960.5389(4) MHz. Centrifugal distortion terms up to HKJ were necessary for a satisfactory fit of the rotational transitions. The dipole moment components were calculated to be μa=0.4834(14) D and μb=0.437(4) D for a total dipole moment of 0.652(4) D. The dimer has C s symmetry with the oxygens of the SO 2 straddling the OCS. The C 2 axis of SO 2 is nearly parallel to the OCS orienting the dipole moments of the monomers approximately antiparallel. The centers of mass of the two monomers are separated by 3.7471(4) Å. The angle made by the S atom of OCS, the center of mass of the OCS, and the center of mass of the SO 2 is determined to be 123.8(5)°. The angle made by the center of mass of the OCS, the center of mass of the SO 2, and the S atom of the SO 2 is 142(5)°. A semi-empirical model including electrostatic, dispersion and repulsion contributions has been applied to the system and has reproduced the structure close to the uncertainty in the structural parameters.

  3. Rotation sensing with Er3+-doped active ring resonator slow light structure

    NASA Astrophysics Data System (ADS)

    Gu, Hong; Liu, Xiaoqin

    2016-10-01

    An optical gyroscope, which is constituted by Er3+-doped active ring resonator (EDARR) slow light structure, is presented for the first time. The principle of improving the sensitivity of the detection of angular velocity is analysed in detail. The expression of the rotation phase difference of EDARR between the counter-propagating waves is derived and discussed. At the resonant frequency, the phase shift difference has the maximum value when the light power in the cavity is far greater than the input light power. We designed an experimental scheme of Er3+-doped active ring resonator slow light system. Two additional bias phases ϕb = ±π/2 were introduced in the optical path, by recording the light intensity difference ? and I0 at the resonant frequency ?, the input angular velocity can be obtained. The slow light structure based on EDARR can enhance the sensitivity of the detection of the angular velocity by three orders of magnitude.

  4. 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.

  5. 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.

  6. Rotating Magnetic Structures Associated with a Quasi-circular Ribbon Flare

    NASA Astrophysics Data System (ADS)

    Li, Haidong; Jiang, Yunchun; Yang, Jiayan; Yang, Bo; Xu, Zhe; Hong, Junchao; Bi, Yi

    2017-02-01

    We present the detection of a small eruption and the associated quasi-circular ribbon flare during the emergence of a bipole occurring on 2015 February 3. Under a fan dome, a sigmoid was rooted in a single magnetic bipole, which was encircled by negative polarity. The nonlinear force-free field extrapolation shows the presence of twisted field lines, which can represent a sigmoid structure. The rotation of the magnetic bipole may cause the twisting of magnetic field lines. An initial brightening appeared at one of the footpoints of the sigmoid, where the positive polarity slides toward a nearby negative polarity field region. The sigmoid displayed an ascending motion and then interacted intensively with the spine-like field. This type of null point reconnection in corona led to a violent blowout jet, and a quasi-circular flare ribbon was also produced. The magnetic emergence and rotational motion are the main contributors to the energy buildup for the flare, while the cancellation and collision might act as a trigger.

  7. COMPLEX STRUCTURE IN CLASS 0 PROTOSTELLAR ENVELOPES. III. VELOCITY GRADIENTS IN NON-AXISYMMETRIC ENVELOPES, INFALL, OR ROTATION?

    SciTech Connect

    Tobin, John J.; Hartmann, Lee; Bergin, Edwin; Chiang, Hsin-Fang; Looney, Leslie W.; Maret, Sebastien

    2012-03-20

    We present an interferometric kinematic study of morphologically complex protostellar envelopes based on observations of the dense gas tracers N{sub 2}H{sup +} and NH{sub 3}. The strong asymmetric nature of most envelopes in our sample leads us to question the common interpretation of velocity gradients as rotation, given the possibility of projection effects in the observed velocities. Several 'idealized' sources with well-ordered velocity fields and envelope structures are now analyzed in more detail. We compare the interferometric data to position-velocity (PV) diagrams of kinematic models for spherical rotating collapse and filamentary rotating collapse. For this purpose, we developed a filamentary parameterization of the rotating collapse model to explore the effects of geometric projection on the observed velocity structures. We find that most envelopes in our sample have PV structures that can be reproduced by an infalling filamentary envelope projected at different angles within the plane of the sky. The infalling filament produces velocity shifts across the envelope that can mimic rotation, especially when viewed at single-dish resolutions and the axisymmetric rotating collapse model does not uniquely describe any data set. Furthermore, if the velocities are assumed to reflect rotation, then the inferred centrifugal radii are quite large in most cases, indicating significant fragmentation potential or more likely another component to the line-center velocity. We conclude that ordered velocity gradients cannot be interpreted as rotation alone when envelopes are non-axisymmetric and that projected infall velocities likely dominate the velocity field on scales larger than 1000 AU.

  8. 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

  9. 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.

  10. 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

  11. 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.

  12. Quadrupole Hyperfine Structure in the Rotational Spectra of 1,2- and 1,3-Dichlorobenzene

    NASA Astrophysics Data System (ADS)

    Keussen, Ch.; Dreizler, H.; Merke, I.

    1990-12-01

    The high resolution of microwave Fourier transform spectroscopy was used to investigate the 35chlorine hyperfine structure of 1,2- and 1,3-dichlorobenzene, C6H435Cl2 , very accurately in the rotational spectrum of their ground vibrational state. The careful analysis with a new evaluation program also yielded the off-diagonal element of the coupling tensor. The tensor elements are χaa= -41.1153(35) MHz,χbb = 8.3415(96) MHz, χcc = 32.7738(61) MHz, and χab = ±52.41 (58) MHz for 1,2-dichlorobenzene and χaa= -44.174(12) MHz, χbb= 10.876(12) MHz, χcc = 33.298(12) MHz, and χab= ±48.181(39) MHz for 1,3-dichlorobenzene.

  13. Shear banding and its contribution to texture evolution in rotated Goss orientations of BCC structured materials

    NASA Astrophysics Data System (ADS)

    Nguyen-Minh, T.; Sidor, J. J.; Petrov, R. H.; Kestens, L. A. I.

    2015-04-01

    Due to progressive deformation, the dislocation densities in crystals are accumulated and the resistance of grains to further deformation increases. Homogeneous deformation becomes energetically less favorable, which may result for some orientations in strain localization. In-grain shear banding, a typical kind of localized deformation in metals with BCC crystal structure, has been accounted for by the geometric softening of crystals. In this study, the occurrence of shear bands in rotated Goss ({110}<110>) orientations of Fe-Si steel is predicted by crystal plasticity simulations and validated by EBSD measurements. It was observed and confirmed by crystal plasticity modeling that such shear bands exhibit stable cube orientations The orientation evolution of crystals in shear bands and its impact on annealing texture of materials are also described.

  14. Electric Polarization Rotation in a Hexaferrite with Long-Wavelength Magnetic Structures

    NASA Astrophysics Data System (ADS)

    Kimura, T.; Lawes, G.; Ramirez, A. P.

    2005-04-01

    We report on the control of electric polarization (P) by using magnetic fields (B) in a hexaferrite having magnetic order above room temperature (RT). The material investigated is hexagonal Ba0.5Sr1.5Zn2Fe12O22, which is a nonferroelectric helimagnetic insulator in the zero-field ground state. By applying B, the system undergoes successive metamagnetic transitions, and shows concomitant ferroelectric order in some of the B-induced phases with long-wavelength magnetic structures. The magnetoelectrically induced P can be rotated 360° by external B. This opens up the potential for not only RT magnetoelectric devices but also devices based on the magnetically controlled electro-optical response.

  15. Electric polarization rotation in a hexaferrite with long-wavelength magnetic structures.

    PubMed

    Kimura, T; Lawes, G; Ramirez, A P

    2005-04-08

    We report on the control of electric polarization (P) by using magnetic fields (B) in a hexaferrite having magnetic order above room temperature (RT). The material investigated is hexagonal Ba0.5Sr1.5Zn2Fe12O22, which is a nonferroelectric helimagnetic insulator in the zero-field ground state. By applying B, the system undergoes successive metamagnetic transitions, and shows concomitant ferroelectric order in some of the B-induced phases with long-wavelength magnetic structures. The magnetoelectrically induced P can be rotated 360 degrees by external B. This opens up the potential for not only RT magnetoelectric devices but also devices based on the magnetically controlled electro-optical response.

  16. 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.

  17. 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

  18. 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

  19. 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

  20. 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.

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

    PubMed

    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

    2016-02-20

    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(-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.

  2. 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.

  3. 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.

  4. 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.

  5. Impact of patient rotational errors on target and critical structure dose in IMRT: A 3D simulation study

    NASA Astrophysics Data System (ADS)

    Arumugam, S.; Xing, A.; Vial, P.; Scotti, A.; Stirton, R.; Goozee, G.; Holloway, Lois

    2013-06-01

    The impact of 3D rotational errors in patient positioning on dose delivered target volumes and critical structures in IMRT was studied. Patient rotational errors ranging from -30 to +30 was introduced to IMRT treatment plans of pelvis, head and neck and brain treatment sites and the impact of rotational error on DVH metrics was assessed. The magnitude of impact of rotational error on the error in dose delivered to the target volume and critical structures depends on the location of the structures from plan isocentre. In studied plans, a maximum percentage difference of up to -9.8(1s=13.4) % in D95 to PTV was observed for head and neck treatments. Similarly, in Brain treatments a maximum difference of up to 24.0(1s=33.0) % in maximum dose of Optic chiasm was observed. The results suggest that failure to correct patient's rotational error results in under-dosage to target volumes and over-dosage to the critical structures in some specific treatment scenarios.

  6. The Rotation and Interior Structure Experiment (RISE) on the Mars Geophysical Monitoring and Sounding (GEMS) Mission

    NASA Astrophysics Data System (ADS)

    Folkner, W. M.; Asmar, S. W.; Dehant, V. M.; Banerdt, B.

    2011-12-01

    The Geophysical Monitoring and Sounding (GEMS) mission provides unique and critical information about the fundamental processes of terrestrial planet formation and evolutions. GEMS begins the geophysical exploration of the Martian interior using seismic and thermal measurements and rotational dynamics, providing information about the initial accretion of the planet, the formation and differentiation of its core and crust, and the subsequent evolution of the interior. One of the mission's investigations is the Rotation and Interior Structure Experiment (RISE), which uses the spacecraft X-band communication link to receive Doppler and ranging observables. The objective of RISE is to determine the mineralogy, temperature, and state of the deep interior of Mars, complementing information provided by seismology. The mineralogy and temperature of the deep interior will provide key information on the accretion of the planet, and can be used to test theories of terrestrial planet accretion and thermal evolution. The interior structure will be inferred by the effect on variations in the orientation of Mars with respect to inertial space. The precession, nutation, and polar motion of Mars result from the interaction of the interior mass distribution with the gravity of the Sun. RISE will provide improved estimates of Mars' precession and nutation, polar motion, and length-of-day variations by monitoring the Doppler shift due to the rotation of Mars on the radio signal between the spacecraft and tracking stations. RISE will reduce the uncertainty in the precession rate and therefore also in the moment of inertia by a factor of ten or more. The moment of inertia can be used as a constraint on the core size and density, core temperature and mineralogy. The improved accuracy of the moment of inertia can constraint the core size and eliminate many, if not most, possible composition ratios. In addition, the measurements of the nutation of Mars will determine whether the Martian

  7. 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.

  8. Structural analysis of uniformly (13)C-labelled solids from selective angle measurements at rotational resonance.

    PubMed

    Patching, Simon G; Edwards, Rachel; Middleton, David A

    2009-08-01

    We demonstrate that individual H-C-C-H torsional angles in uniformly labelled organic solids can be estimated by selective excitation of (13)C double-quantum coherences under magic-angle spinning at rotational resonance. By adapting a straightforward one-dimensional experiment described earlier [T. Karlsson, M. Eden, H. Luhman, M.H. Levitt, J. Magn. Reson. 145 (2000) 95-107], a double-quantum filtered spectrum selective for Calpha and Cbeta of uniformly labelled L-[(13)C,(15)N]valine is obtained with 25% efficiency. The evolution of Calpha-Cbeta double-quantum coherence under the influence of the dipolar fields of bonded protons is monitored to provide a value of the Halpha-Calpha-Cbeta-Hbeta torsional angle that is consistent with the crystal structure. In addition, double-quantum filtration selective for C6 and C1' of uniformly labelled [(13)C,(15)N]uridine is achieved with 12% efficiency for a (13)C-(13)C distance of 2.5A, yielding a reliable estimate of the C6-H and C1'-H projection angle defining the relative orientations of the nucleoside pyrimidine and ribose rings. This procedure will be useful, in favourable cases, for structural analysis of fully labelled small molecules such as receptor ligands that are not readily synthesised with labels placed selectively at structurally diagnostic sites.

  9. Structural analysis of uniformly 13C-labelled solids from selective angle measurements at rotational resonance

    NASA Astrophysics Data System (ADS)

    Patching, Simon G.; Edwards, Rachel; Middleton, David A.

    2009-08-01

    We demonstrate that individual H-C-C-H torsional angles in uniformly labelled organic solids can be estimated by selective excitation of 13C double-quantum coherences under magic-angle spinning at rotational resonance. By adapting a straightforward one-dimensional experiment described earlier [T. Karlsson, M. Eden, H. Luhman, M.H. Levitt, J. Magn. Reson. 145 (2000) 95-107], a double-quantum filtered spectrum selective for Cα and Cβ of uniformly labelled L-[ 13C, 15N]valine is obtained with 25% efficiency. The evolution of Cα-Cβ double-quantum coherence under the influence of the dipolar fields of bonded protons is monitored to provide a value of the Hα-Cα-Cβ-Hβ torsional angle that is consistent with the crystal structure. In addition, double-quantum filtration selective for C6 and C1' of uniformly labelled [ 13C, 15N]uridine is achieved with 12% efficiency for a 13C- 13C distance of 2.5 Å, yielding a reliable estimate of the C6-H and C1'-H projection angle defining the relative orientations of the nucleoside pyrimidine and ribose rings. This procedure will be useful, in favourable cases, for structural analysis of fully labelled small molecules such as receptor ligands that are not readily synthesised with labels placed selectively at structurally diagnostic sites.

  10. Molecular structure, UV/vis spectra, and cyclic voltammograms of Mn(II), Co(II), and Zn(II) 5,10,15,20-tetraphenyl-21-oxaporphyrins.

    PubMed

    Stute, Silvio; Götzke, Linda; Meyer, Dirk; Merroun, Mohamed L; Rapta, Peter; Kataeva, Olga; Seichter, Wilhelm; Gloe, Kerstin; Dunsch, Lothar; Gloe, Karsten

    2013-02-04

    The 5,10,15,20-tetraphenyl-21-oxaporphyrin complexes of Mn(II), Co(II), and Zn(II) have been crystallized and studied by X-ray diffraction, NMR and UV/vis spectroscopy, and mass spectrometry as well as cyclic voltammetry. The X-ray structure of the earlier described Cu(II) complex is also reported. All complex structures possess a five-coordinate, approximately square-pyramidal geometry with a slight deviation of the heteroaromatic moieties from planarity. The packing structures are characterized by parallel strands of complex molecules interacting by weak hydrogen bonds. In the case of Zn(II) an octahedral complex has also been isolated using a side-chain hydroxy functionalized oxaporphyrin ligand; the structure was verified by NMR and EXAFS spectroscopy. Cyclic voltammetry studies reveal that the reduction of the complex bound Mn(II), Co(II), and Zn(II) ions is a ligand-centered process whereas the first oxidation step depends on the metal ion present.

  11. Structure characterization of the central repetitive domain of high molecular weight gluten proteins. I. Model studies using cyclic and linear peptides.

    PubMed Central

    Van Dijk, A. A.; Van Wijk, L. L.; Van Vliet, A.; Haris, P.; Van Swieten, E.; Tesser, G. I.; Robillard, G. T.

    1997-01-01

    The high molecular weight (HMW) proteins from wheat contain a repetitive domain that forms 60-80% of their sequence. The consensus peptides PGQGQQ and GYYPTSPQQ form more than 90% of the domain; both are predicted to adopt beta-turn structure. This paper describes the structural characterization of these consensus peptides and forms the basis for the structural characterization of the repetitive HMW domain, described in the companion paper. The cyclic peptides cyclo-[PGQGQQPGQGQQ] (peptide 1), cyclo-[GYYPTSPQQGA] (peptide 2), and cyclo-[PGQGQQGYYPTSPQQ] (peptide 3) were prepared using a novel synthesis route. In addition, the linear peptides (PGQGQQ)n (n = 1, 3, 5) were prepared. CD, FTIR, and NMR data demonstrated a type II beta-turn structure at QPGQ in the cyclic peptide 1 that was also observed in the linear peptides 9PGQGQQ)n. A type I beta-turn was observed at YPTS and SPQQ in peptides 2 and 3, with additional beta-turns of either type I or II at GAGY (peptide 2) and QQGY (peptide 3). The proline in YPTS showed considerable cis/trans isomerization, with up to 50% of the population in the cis-conformation; the other prolines were more than 90% in the trans conformation. The conversion from trans to cis destroys the type I beta-turn at YPTS, but leads to an increase in turn character at SPQQ and GAGY (peptide 2) or QQGY (peptide 3). PMID:9070446

  12. 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

  13. 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.

  14. 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.

  15. The two-dimensional IR nonlinear spectroscopy of a cyclic penta-peptide in relation to its three-dimensional structure

    PubMed Central

    Hamm, Peter; Lim, Manho; DeGrado, William F.; Hochstrasser, Robin M.

    1999-01-01

    A form of two-dimensional (2D) vibrational spectroscopy, which uses two ultrafast IR laser pulses, is used to examine the structure of a cyclic penta-peptide in solution. Spectrally resolved cross peaks occur in the off-diagonal region of the 2D IR spectrum of the amide I region, analogous to those in 2D NMR spectroscopy. These cross peaks measure the coupling between the different amide groups in the structure. Their intensities and polarizations relate directly to the three-dimensional structure of the peptide. With the help of a model coupling Hamiltonian, supplemented by density functional calculations, the spectra of this penta-peptide can be regenerated from the known solution phase structure. This 2D-IR measurement, with an intrinsic time resolution of less than 1 ps, could be used in all time regimes of interest in biology. PMID:10051590

  16. 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.

  17. Investigation of the effect of cyclic laser heating for creating dispersed structures in the austenitic-martensitic alloys based on Fe-Cr-Ni system

    NASA Astrophysics Data System (ADS)

    Andreev, A. O.; Mironov, V. D.; Petrovskii, V. N.; Orlov, A. V.; Libman, M. A.

    2016-09-01

    The effect of cyclic laser heating on the formation of the austenite structure in the austenitic-martensitic alloys based on Fe-Cr-Ni system is investigated. It is shown that under the influence of ultra-fast laser heating on the martensite, which was formed during plastic deformation, the reverse martensitic transformation occurs, and austenite with high strength characteristics is formed. Repeated and multiple laser heating effectively grinds areas of austenite to a size close to the large nanoparticles. There is an additional increase in the strength characteristics of austenite as a result of this fragmentation.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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

    2011-06-02

    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.

  5. Ab initio prediction of the solution structures and populations of a cyclic pentapeptide in DMSO based on an implicit solvation model.

    PubMed

    Baysal, C; Meirovitch, H

    2000-04-15

    Using a recently developed statistical mechanics methodology, the solution structures and populations of the cyclic pentapeptide cyclo(D-Pro(1)-Ala(2)-Ala(3)-Ala(4)-Ala(5)) in DMSO are obtained ab initio, i.e., without using experimental restraints. An important ingredient of this methodology is a novel optimization of implicit solvation parameters, which in our previous publication [Baysal, C.; Meirovitch, H. J Am Chem Soc 1998, 120, 800-812] has been applied to a cyclic hexapeptide in DMSO. The molecule has been described by the simplified energy function E(tot) = E(GRO) + summation operator(k) sigma(k)A(k), where E(GRO) is the GROMOS force-field energy, sigma(k) and A(k) are the atomic solvation parameter (ASP) and the solvent accessible surface area of atom k. This methodology, which relies on an extensive conformational search, Monte Carlo simulations, and free energy calculations, is applied here with E(tot) based on the ASPs derived in our previous work, and for comparison also with E(GRO) alone. For both models, entropy effects are found to be significant. For E(tot), the theoretical values of proton-proton distances and (3)J coupling constants agree very well with the NMR results [Mierke, D. F.; Kurz, M.; Kessler, H. J Am Chem Soc 1994, 116, 1042-1049], while the results for E(GRO) are significantly worse. This suggests that our ASPs might be transferrable to other cyclic peptides in DMSO as well, making our methodology a reliable tool for an ab initio structure prediction; obviously, if necessary, parts of this methodology can also be incorporated in a best-fit analysis where experimental restraints are used.

  6. 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.

  7. 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.

  8. 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…

  9. Parallel architectures for computing cyclic convolutions

    NASA Technical Reports Server (NTRS)

    Yeh, C.-S.; Reed, I. S.; Truong, T. K.

    1983-01-01

    In the paper two parallel architectural structures are developed to compute one-dimensional cyclic convolutions. The first structure is based on the Chinese remainder theorem and Kung's pipelined array. The second structure is a direct mapping from the mathematical definition of a cyclic convolution to a computational architecture. To compute a d-point cyclic convolution the first structure needs d/2 inner product cells, while the second structure and Kung's linear array require d cells. However, to compute a cyclic convolution, the second structure requires less time than both the first structure and Kung's linear array. Another application of the second structure is to multiply a Toeplitz matrix by a vector. A table is listed to compare these two structures and Kung's linear array. Both structures are simple and regular and are therefore suitable for VLSI implementation.

  10. Electromagnetic fields generated by constrained rotation of structural blocks in the Earth’s crust

    NASA Astrophysics Data System (ADS)

    Losseva, T. V.; Kuzmicheva, M. Y.; Spivak, A. A.

    2009-12-01

    Specific features of low frequency electromagnetic impulses in the subsurface Earth’s crust with a low moisture content are defined by the tectonic activity of the region and its structure as well as the stressed-strained state. Electromagnetic effects related to seismic and deformation processes in rocks are very diverse and their physical nature is different. The electric polarization of rocks deserves special attention, since this mechanism is implied in an explosive loading of rocks or relaxation processes in any hierarchic block geophysical medium [1]. The amplitudes of electromagnetic pulses generated by electric currents in a relaxing block-structured stress-strained medium have been obtained by 3D numerical modeling. The source of currents is formed by electric polarization of solids filled inter-block gaps on the active face of a block which, in turn, rotates constrainedly under relaxation. The electric current impulse is defined by the shape of the seismic impulse of the block under relaxation. The block is embedded in the crust. The full system of Maxwell equations in a conductive medium has been solved. The numerical method used has been developed to describe properly the geometry of strain as well as impressed current and conductivity profiles at every time. The figure below presents the maximal amplitudes of electric fields Emax for different active block sizes L (curves 1, 2, 3) versus the relative distances from the source epicenter x/L. Here circles denote the experimental data obtained for the Kurai tectonic structure [1]. We see that the results of numerical simulations are in good agreement with the results of measurements. This proves the validity of our model for the estimation of electric effects in the low moisture rock medium. References: [1] S.P. Soloviev and A.A. Spivak, Doklady Earth Sciences, 2007, Vol. 417A, No. 9, pp. 1449-1453.

  11. 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.

  12. 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

  13. Rotational spectroscopy of pyridazine and its isotopologs from 235-360 GHz: Equilibrium structure and vibrational satellites

    NASA Astrophysics Data System (ADS)

    Esselman, Brian J.; Amberger, Brent K.; Shutter, Joshua D.; Daane, Mitchell A.; Stanton, John F.; Woods, R. Claude; McMahon, Robert J.

    2013-12-01

    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, [3-13C]-C4H4N2, [4-13C]-C4H4N2, and [1-15N]-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 to

  14. Aromatic interactions and rotational strengths within protein environment: An electronic structural study on β-lactamases from class A

    NASA Astrophysics Data System (ADS)

    Christov, Christo; Karabencheva, Tatyana; Lodola, Alessio

    2008-04-01

    β-Lactamases are important enzymes, responsible for bacterial resistance against β-lactam antibiotics. The enzymes from class A are the most common and the most intensively studied. Here we present our electronic structural study on the relationships between electrostatic interactions and chiroptical properties of three enzymes from class A in the following directions: (i) an integrated influence of environment and ionization state on the rotational strengths mechanisms of tyrosine chromophore in TEM-1 β-lactamase; (ii) an effect of electrostatic environment on the mechanisms of aromatic rotational strengths in β-lactamases from Streptomyces albus and Staphylococcus aureus.

  15. Identification of dominant flow structures in rapidly rotating convection of liquid metals using Dynamic Mode Decomposition

    NASA Astrophysics Data System (ADS)

    Horn, Susanne; Aurnou, Jonathan M.; Schmid, Peter J.

    2016-11-01

    We will present results from direct numerical simulations of rapidly rotating convection in a fluid with Pr 0 . 025 in cylindrical containers and Ekman numbers as low as 5 ×10-6 . In this system, the Coriolis force is the source of two types of inertial modes, the so-called wall modes, that also exist at moderate Prandtl numbers, and cylinder-filling oscillatory modes, that are a unique feature of small Prandtl number convection. The obtained flow fields were analyzed using the Dynamic Mode Decomposition (DMD). This technique allows to extract and identify the structures that govern the dynamics of the system as well as their corresponding frequencies. We have investigated both the regime where the flow is purely oscillatory and the regime where wall modes and oscillatory modes co-exist. In the purely oscillatory regime, high and low frequency oscillatory modes characterize the flow. When both types of modes are present, the DMD reveals that the wall-attached modes dominate the flow dynamics. They precess with a relatively low frequency in retrograde direction. Nonetheless, also in this case, high frequency oscillations have a significant contribution.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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

  3. 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.

  4. [Development of the craniofacial structures and mandibular growth rotation: a longitudinal study with Enlow analysis (counterpart analysis)].

    PubMed

    Işeri, H

    1989-04-01

    The aim of the present study was to evaluate the development of craniofacial structures in individuals with different actual mandibular growth rotation pattern. Enlow's counterpart analysis was used for this evaluation. The material was consisted 166 cephalometric films of 83 male and female subjects. A total of fourteen variables were employed and the data was analysed by various statistical methods. The vertical growth of middle cranial fossa and mandibular ramus as the equivalent of nasomaxillary complex was found to be the key sites in the determination of mandibular growth rotation pattern. Besides this, the sagittal location of maxilla and mandible related to the cranial base was different in backward and forward mandibular rotation patterns.

  5. Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore

    PubMed Central

    Derebe, Mehabaw G.; Zeng, Weizhong; Li, Yang; Alam, Amer; Jiang, Youxing

    2011-01-01

    Cyclic nucleotide-gated (CNG) channels play an essential role in the visual and olfactory sensory systems and are ubiquitous in eukaryotes. Details of their underlying ion selectivity properties are still not fully understood and are a matter of debate in the absence of high-resolution structures. To reveal the structural mechanism of ion selectivity in CNG channels, particularly their Ca2+ blockage property, we engineered a set of mimics of CNG channel pores for both structural and functional analysis. The mimics faithfully represent the CNG channels they are modeled after, permeate Na+ and K+ equally well, and exhibit the same Ca2+ blockage and permeation properties. Their high-resolution structures reveal a hitherto unseen selectivity filter architecture comprising three contiguous ion binding sites in which Na+ and K+ bind with different ion-ligand geometries. Our structural analysis reveals that the conserved acidic residue in the filter is essential for Ca2+ binding but not through direct ion chelation as in the currently accepted view. Furthermore, structural insight from our CNG mimics allows us to pinpoint equivalent interactions in CNG channels through structure-based mutagenesis that have previously not been predicted using NaK or K+ channel models. PMID:21187429

  6. Dual-axis 360° rotation specimen holder for analysis of three-dimensional magnetic structures.

    PubMed

    Tsuneta, Ruriko; Kashima, Hideo; Iwane, Tomohiro; Harada, Ken; Koguchi, Masanari

    2014-12-01

    A dual-axis 360° rotation specimen holder was developed for use in reconstructing the three-dimensional (3D) distribution of a magnetic field using a combination of electron holography and tomography. Pillar-shaped specimens are used to obtain accurate reconstruction without a missing angle. The holder's rotation rod can be turned >360°; the pillar is set ±45° to the azimuth for both x- and y-axis rotation. Two rotation series of holograms in individual axes are recorded for vector field tomography. The two vector components of the magnetic field are reconstructed directly from the two series of holograms, and the remaining component is calculated using Maxwell's equation, div B = 0. As a result, all 3D magnetic fields are reconstructed.

  7. 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

  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. Three dimensional inner core anisotropy, lowermost mantle structure, and inner core rotation

    NASA Astrophysics Data System (ADS)

    Sun, Xinlei

    Three-dimensional anisotropy of Earth's inner core and the lowermost mantle structures are studied from PKP waves. Using a unique data set of PKP travel times at near antipodal distances, I examine the whole inner core anisotropy and the effect from lowermost mantle heterogeneities. The results show AB-DF residuals for polar paths are consistently larger than those of equatorial paths, and are mainly from DF residuals, thus confirmed AB-DF residuals are from inner core anisotropy. Assuming a uniform cylindrical anisotropy model, the average inner core anisotropy amplitude is ˜2.5%. The equatorial PKP differential travel times, however, can be caused by the lowermost mantle structure. Compressional waves that sample the lowermost mantle west of Central America show a rapid change in travel times of up to 4 s over a distance of 300 km and a change in waveforms. The PKP differential travel times correlate remarkably well with predictions from S-wave tomography. Our modeling suggests a sharp transition in the lowermost mantle from a broad slow region to a broad fast region with a narrow zone of slowest anomaly next to the boundary beneath the Cocos and the Caribbean Plate. The structure may be the result of ponding of ancient subducted Farallon slabs situated near the edge of a thermal and chemical upwelling. Depth and longitudinal dependence of the inner core anisotropy are also investigated. I adopt a pseudo-bending ray tracing method in spherical coordinates [koketsu1998] for PKP DF rays, and use B-spline interpolation in the inversion. Our results show clearly hemispherical and depth dependence of the inner core anisotropy, and suggest a distinct inner inner core (IIC), which is about half radius of the inner core. Further examination of this issue from the corrected residuals at near antipodal distances and from the residual changes vs. distance at equatorial directions show very consistent results, indicating the distinct anisotropy in the IIC is robust. Finally

  10. Cyclic metabolites: chemical and biological considerations.

    PubMed

    Erve, John C L

    2008-02-01

    Metabolism of xenobiotics can sometimes generate cyclic metabolites. Such metabolites are usually the result of intramolecular reactions occurring within a primary or secondary metabolite and this chemistry may lead to unexpected structures. Intramolecular chemistry is often driven by nucleophilic groups reacting with electrophilic atoms, often carbon, although radical processes also occur. Conjugation of xenobiotics or their metabolites with endogenous thiols, such as glutathione or cysteine, introduce a reactive amino group that can lead to the formation of cyclic structures. Less common than chemically driven cyclizations are enzymatically mediated ring-closures, although this may reflect our incomplete recognition of enzymatic involvement in this step of cyclic metabolite formation. While some cyclic metabolites are biologically inactive, others are biologically active. Thus, a cyclic metabolite may display desirable pharmacology, or, contribute to toxicology. When a cyclic metabolite is identified, it is important to consider the possibility that it is an artifact, i.e. metabonate, that was formed during processing of the sample, for example, through degradation or by chemical reactions with other components present in the matrix. From a medicinal chemistry perspective, a cyclic metabolite with a different chemical scaffold from the parent structure may lead to a new series of structurally novel, biologically active molecules with the same, or different, pharmacology from the parent. This review will cover a selection of cyclic metabolites from a mechanistic point of view, and when possible, discuss their biological relevance.

  11. 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

  12. 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.

  13. 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.

  14. Novel biodegradable aliphatic poly(butylene succinate-co-cyclic carbonate)s with functional carbonate building blocks. 1. Chemical synthesis and their structural and physical characterization.

    PubMed

    Yang, Jing; Hao, Qinghui; Liu, Xiaoyun; Ba, Chaoyi; Cao, Amin

    2004-01-01

    This study presents chemical synthesis, structural, and physical characterization of novel biodegradable aliphatic poly(butylene succinate-co-cyclic carbonate)s P(BS-co-CC) bearing functional carbonate building blocks. First, five kinds of six-membered cyclic carbonate monomers, namely, trimethylene carbonate (TMC), 1-methyl-1,3-trimethylene carbonate (MTMC), 2,2-dimethyl-1,3-trimethylene carbonate (DMTMC), 5-benzyloxytrimethylene carbonate (BTMC), and 5-ethyl-5-benzyloxymethyl trimethylene carbonate (EBTMC), were well prepared from ethyl chloroformate and corresponding diols at 0 degrees C in THF solution with our modified synthetic strategies. Then, a series of new P(BS-co-CC)s were synthesized at 210 degrees C through a simple combination of poly-condensation and ring-opening-polymerization (ROP) of hydroxyl capped PBS macromers and the prepared carbonate monomers, and titanium tetra-isopropoxide Ti(i-OPr)4 was used as a more suitable catalyst of 5 candidate catalysts which could concurrently catalyze poly-condensation and ROP. By means of NMR, GPC, FTIR, and thermal analytical instruments, macromolecular structures and physical properties have been characterized for these aliphatic poly(ester carbonate)s. The experimental results indicated that novel biodegradable P(BS-co-CC)s were successfully synthesized with number average molecular weight Mn ranging from 24.3 to 99.6 KDa and various CC molar contents without any detectable decarboxylation and that the more bulky side group was attached to a cyclic carbonate monomer, the lower reactivity for its copolymerization would be observed. The occurrences of 13C NMR signal splitting of succinyl carbonyl attributed to the BS building blocks could be proposed due to the randomized sequences of BS and CC building blocks. FTIR characterization indicated two distinct absorption bands at 1716 and 1733 approximately 1735 cm(-1), respectively, stemming from carbonyl stretching modes for corresponding BS and CC units. With

  15. 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

  16. 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.

  17. 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.

  18. Rapidly rotating neutron stars with a massive scalar field—structure and universal relations

    NASA Astrophysics Data System (ADS)

    Doneva, Daniela D.; Yazadjiev, Stoytcho S.

    2016-11-01

    We construct rapidly rotating neutron star models in scalar-tensor theories with a massive scalar field. The fact that the scalar field has nonzero mass leads to very interesting results since the allowed range of values of the coupling parameters is significantly broadened. Deviations from pure general relativity can be very large for values of the parameters that are in agreement with the observations. We found that the rapid rotation can magnify the differences several times compared to the static case. The universal relations between the normalized moment of inertia and quadrupole moment are also investigated both for the slowly and rapidly rotating cases. The results show that these relations are still EOS independent up to a large extend and the deviations from pure general relativity can be large. This places the massive scalar-tensor theories amongst the few alternative theories of gravity that can be tested via the universal I-Love-Q relations.

  19. 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

  20. Rotational structure of small 4He clusters seeded with HF, HCl, and HBr molecules.

    PubMed

    Ramilowski, Jordan A; Mikosz, Aleksandra A; Farrelly, David; Fajín, José Luis Cagide; Fernandez, Berta

    2007-12-13

    Diffusion Monte Carlo calculations are performed for ground and excited rotational states of HX(4He)N, complexes with Nrotational constants for HCl and HBr in a 4He nanodroplet will be smaller than that observed for HF, despite HF's having the largest (by far) gas-phase rotational constant of the three molecules. This suggests that the specifics of the solvation dynamics of a molecule in a 4He cluster are the result of a delicate interplay between the magnitude of the gas-phase rotational constant of the molecule and the anisotropic contributions to the atom-molecule potential energy.

  1. Ultrasound Dimensions of the Rotator Cuff and Other Associated Structures in Korean Healthy Adults

    PubMed Central

    2016-01-01

    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

  2. Cross-reactive binding of cyclic peptides to an anti-TGFalpha antibody Fab fragment: an X-ray structural and thermodynamic analysis.

    PubMed

    Hahn, M; Winkler, D; Welfle, K; Misselwitz, R; Welfle, H; Wessner, H; Zahn, G; Scholz, C; Seifert, M; Harkins, R; Schneider-Mergener, J; Höhne, W

    2001-11-23

    The monoclonal antibody tAb2 binds the N-terminal sequence of transforming growth factor alpha, VVSHFND. With the help of combinatorial peptide libraries it is possible to find homologous peptides that bind tAb2 with an affinity similar to that of the epitope. The conformational flexibility of short peptides can be constrained by cyclization in order to improve their affinity to the antibody and their stability towards proteolysis. Two cyclic peptides which are cross-reactive binders for tAb2 were selected earlier using combinatorial peptide libraries. One is cyclized by an amide bond between the N-alpha group and the side-chain of the last residue (cyclo-SHFNEYE), and the other by a disulfide bridge (cyclo-CSHFNDYC). The complex structures of tAb2 with the linear epitope peptide VVSHFND and with cyclo-SHFNEYE were determined by X-ray diffraction. Both peptides show a similar conformation and binding pattern in the complex. The linear peptide SHFNEYE does not bind tAb2, but cyclo-SHFNEYE is stabilized in a loop conformation suitable for binding. Hence the cyclization counteracts the exchange of aspartate in the epitope sequence to glutamate. Isothermal titration calorimetry was used to characterize the binding energetics of tAb2 with the two cyclic peptides and the epitope peptide. The binding reactions are enthalpically driven with an unfavorable entropic contribution under all measured conditions. The association reactions are characterized by negative DeltaC(p) changes and by the uptake of one proton per binding site. A putative candidate for proton uptake during binding is the histidine residue in each of the peptides. Hydrogen bonds and the putative formation of an electrostatic pair between the protonated histidine and a carboxy group may contribute markedly to the favorable enthalpy of complex formation. Implications to cyclization of peptides for stabilization are discussed.

  3. Structure-activity relationships of cyclic lactam analogues of alpha-melanocyte-stimulating hormone (alpha-MSH) targeting the human melanocortin-3 receptor.

    PubMed

    Mayorov, Alexander V; Cai, Minying; Palmer, Erin S; Dedek, Matthew M; Cain, James P; Van Scoy, April R; Tan, Bahar; Vagner, Josef; Trivedi, Dev; Hruby, Victor J

    2008-01-24

    A variety of dicarboxylic acid linkers introduced between the alpha-amino group of Pro(6) and the -amino group of Lys(10) of the cyclic lactam alpha-melanocyte-stimulating hormone (alpha-MSH)-derived Pro(6)-D-Phe(7)/D-Nal(2')(7)-Arg(8)-Trp(9)-Lys(10)-NH2 pentapeptide template lead to nanomolar range and selective hMC3R agonists and antagonists. Replacement of the Pro(6) residue and the dicarboxylic acid linker with 2,3-pyrazine-dicarboxylic acid furnished a highly selective nanomolar range hMC3R partial agonist (analogue 12, c[CO-2,3-pyrazine-CO-D-Phe-Arg-Trp-Lys]-NH2, EC50 = 27 nM, 70% max cAMP) and an hMC3R antagonist (analogue 13, c[CO-2,3-pyrazine-CO-D-Nal(2')-Arg-Trp-Lys]-NH2, IC50 = 23 nM). Modeling experiments suggest that 2,3-pyrazinedicarboxylic acid stabilizes a beta-turn-like structure with the D-Phe/D-Nal(2') residues, which explains the high potency of the corresponding peptides. Placement of a Nle residue in position 6 produced a hMC3R/hMC5R antagonist (analogue 15, c[CO-(CH 2)2-CO-Nle-D-Nal(2')-Arg-Trp-Lys]-NH2, IC50 = 12 and 17 nM, respectively), similarly to the previously described cyclic gamma-melanocyte-stimulating hormone (gamma-MSH)-derived hMC3R/hMC5R antagonists. These newly developed melanotropins will serve as critical biochemical tools for elucidating the full spectrum of functions performed by the physiologically important melanocortin-3 receptor.

  4. Dual specificity and novel structural folding of yeast phosphodiesterase-1 for hydrolysis of second messengers cyclic adenosine and guanosine 3',5'-Monophosphate

    DOE PAGES

    Tian, Yuanyuan; Cui, Wenjun; Huang, Manna; ...

    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

  5. Dual Specificity and Novel Structural Folding of Yeast Phosphodiesterase-1 for Hydrolysis of Second Messengers Cyclic Adenosine and Guanosine 3′,5′-Monophosphate

    PubMed Central

    2015-01-01

    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 s–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 folding 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. PMID:25050706

  6. 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

  7. Long-term monitoring of Jupiter's South Temperate domain: Oval BA and the cyclic development of structured sectors

    NASA Astrophysics Data System (ADS)

    Rogers, J.; Adamoli, G.; Hahn, G.; Jacquesson, M.; Vedovato, M.; Mettig, H.-J.

    2013-09-01

    The pattern of atmospheric phenomena in Jupiter's South Temperate domain, covering the years 2001-2012, is here deduced from amateur images. We summarise the long-term history of the major features, viz. a succession of structured cyclonic sectors of the South Temperate Belt (STB), one of which is coupled to the single large anticyclonic oval (oval BA). The other structured segments begin as small dark spots or streaks remote from oval BA, then expand, and eventually catch up and merge with the dark segment at BA, inducing intense disturbance in and around it. This cycle has been completed three times in 15 years, maintaining at least 2 structured sectors at all times. The major changes in drift rate of oval BA appear to be due to the impacts and subsequent shrinkage of the structured segments. From 2008 onwards, oval BA has been shrinking and shifting southwards.

  8. 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.

  9. Asymptotic structure of viscous incompressible flow around a rotating body, with nonvanishing flow field at infinity

    NASA Astrophysics Data System (ADS)

    Deuring, Paul; Kračmar, Stanislav; Nečasová, Šárka

    2017-02-01

    We consider weak ("Leray") solutions to the stationary Navier-Stokes system with Oseen and rotational terms, in an exterior domain. It is shown the velocity may be split into a constant times the first column of the fundamental solution of the Oseen system, plus a remainder term decaying pointwise near infinity at a rate which is higher than the decay rate of the Oseen tensor. This result improves the theory by Kyed (Q Appl Math 71:489-500, 2013).

  10. Ribosomally encoded cyclic peptide toxins from mushrooms.

    PubMed

    Walton, Jonathan D; Luo, Hong; Hallen-Adams, Heather

    2012-01-01

    The cyclic peptide toxins of poisonous Amanita mushrooms are chemically unique among known natural products. Furthermore, they differ from other fungal cyclic peptides in being synthesized on ribosomes instead of by nonribosomal peptide synthetases. Because of their novel structures and biogenic origins, elucidation of the biosynthetic pathway of the Amanita cyclic peptides presents both challenges and opportunities. In particular, a full understanding of the pathway should lead to the ability to direct synthesis of a large number of novel cyclic peptides based on the Amanita toxin scaffold by genetic engineering of the encoding genes. Here, we highlight some of the principal methods for working with the Amanita cyclic peptides and the known steps in their biosynthesis.

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. Rotational band structure in Mg32

    SciTech Connect

    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 32 Mg 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.

  17. Molecular structure of cyclic diguanylic acid at 1 A resolution of two crystal forms: self-association, interactions with metal ion/planar dyes and modeling studies.

    PubMed

    Guan, Y; Gao, Y G; Liaw, Y C; Robinson, H; Wang, A H

    1993-10-01

    Cyclic ribodiguanylic acid, c-(GpGp), is the endogenous effector regulator of cellulose synthase. Its three dimensional structure from two different crystal forms (tetragonal and trigonal) has been determined by x-ray diffraction analysis at 1 A resolution. Both structures were solved by direct methods and refined by block-matrix least squares refinement to R-factors of 0.112 (tetragonal) and 0.119 (trigonal). In both crystal forms, two independent c-(GpGp) molecules associate with each other to form a self-intercalated dimer. All four c-(GpGp) molecules have very similar backbone conformation. The riboses are in the C3'-endo pucker with pseudorotation angles ranging from -7.2 degrees to 16.5 degrees and the bases have anti glycosyl chi angles (-175.5 degrees to 179.7 degrees). In the tetragonal form, a hydrated cobalt ion is found to coordinate to two N7 atoms of adjacent guanines, forcing these two guanines to destack with a large dihedral angle (33 degrees). This metal coordination mechanism has been noted previously in other Pt- or Co-GMP complexes and may be relevant to the binding of the anticancer drug cisplatin to a GpG sequence in DNA. A model of the adduct between cisplatin and a d(CAATGGATTG) duplex has been constructed in which the induced bending of the DNA helix at the Pt crosslinking site is 33 degrees, consistent with earlier electrophoretic analyses. Moreover, c-(GpGp) exhibits unusual spectral properties not seen in other cyclic dinucleotides. It interacts with planar organic intercalator molecules in ways similar to double helical DNA. We propose a cage-like model consisting of a tetrameric c-(GpGp) aggregate in which a large cavity (host molecule) is generated to afford a binding site for certain planar intercalators (guests molecules). The aggregate likely uses a hydrogen bonding scheme the same as that found in the G-quartet molecules, e.g., telomere DNA. The conformation of c-(GpGp) also suggests that certain nearest-neighbor intercalators

  18. 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%.

  19. New Correlations Between Monotonic and Cyclic Properties of Metallic Materials

    NASA Astrophysics Data System (ADS)

    Zonfrillo, Giovanni

    2017-03-01

    Knowledge of the cyclic properties of metallic materials is often critical to correctly design structural components. However, cyclic data are not easily available in the literature, while tensile test data are easier to find in specialized sites or vendor catalogs. In this study, the cyclic strength coefficient and the cyclic strain hardening exponent of the Ramberg-Osgood law were evaluated using exclusively data obtained through monotonic tensile tests. The analyses were carried out on a large set of materials. The database used is composed of 338 alloys, mainly iron alloys, but also titanium and aluminum alloys. New subdivisions of the materials were introduced. Several original relations were suggested to correlate static and cyclic strength parameters. The evaluated values of both cyclic strength coefficient and cyclic strain hardening exponent were compared with experimental values coming from cyclic test, obtaining a satisfactory agreement and a higher accuracy if compared with similar relations found in the literature.

  20. Designing cyclic universe models.

    PubMed

    Khoury, Justin; Steinhardt, Paul J; Turok, Neil

    2004-01-23

    The phenomenological constraints on the scalar field potential in cyclic models of the Universe are presented. We show that cyclic models require a comparable degree of tuning to that needed for inflationary models. The constraints are reduced to a set of simple design rules including "fast-roll" parameters analogous to the "slow-roll" parameters in inflation.

  1. Cyclic Hematopoiesis: animal models

    SciTech Connect

    Jones, J.B.; Lange, R.D.

    1983-08-01

    The four existing animal models of cyclic hematopoiesis are briefly described. The unusual erythropoietin (Ep) responses of the W/Wv mouse, the Sl/Sld mouse, and cyclic hematopoietic dog are reviewed. The facts reviewed indicate that the bone marrow itself is capable of influencing regulatory events of hematopoiesis.

  2. 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…

  3. Structural stability, C--N internal rotations and vibrational spectral analysis of non-planar phenylurea and phenylthiourea.

    PubMed

    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 degrees ) cis (CNCO dihedral angle is near 0 degrees ) and trans (CNCO dihedral angle is near 180 degrees ) 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.

  4. 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.

  5. Two-dimensional integrating matrices on rectangular grids. [solving differential equations associated with rotating structures

    NASA Technical Reports Server (NTRS)

    Lakin, W. D.

    1981-01-01

    The use of integrating matrices in solving differential equations associated with rotating beam configurations is examined. In vibration problems, by expressing the equations of motion of the beam in matrix notation, utilizing the integrating matrix as an operator, and applying the boundary conditions, the spatial dependence is removed from the governing partial differential equations and the resulting ordinary differential equations can be cast into standard eigenvalue form. Integrating matrices are derived based on two dimensional rectangular grids with arbitrary grid spacings allowed in one direction. The derivation of higher dimensional integrating matrices is the initial step in the generalization of the integrating matrix methodology to vibration and stability problems involving plates and shells.

  6. Moment-rotation characteristics of semi-rigid steel beam-column connections

    NASA Astrophysics Data System (ADS)

    Altman, W. G., Jr.; Azizinamini, A.; Bradburn, J. H.; Radziminski, J. B.

    1982-06-01

    The potential of semi-rigid beam-to-column connections in contributing to the integrity of steel frame building structures in an earthquake was evaluated. Experimental studies were conducted of bolted connections comprised of top and seat beam flange angles and double web angles to determine moment-rotation behavior under static loading and to measure energy absorption capability under cyclic loading. The cyclic tests consisted of subjecting the beam-column connections to several stages of full reversal, controlled amplitude displacements of progressively increasing magnitude.

  7. 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.

  8. Crystal Structures of YkuI and Its Complex with Second Messenger Cyclic Di-GMP Suggest Catalytic Mechanism of Phosphodiester Bond Cleavage by EAL Domains*

    PubMed Central

    Minasov, George; Padavattan, Sivaraman; Shuvalova, Ludmilla; Brunzelle, Joseph S.; Miller, Darcie J.; Baslé, Arnaud; Massa, Claudia; Collart, Frank R.; Schirmer, Tilman; Anderson, Wayne F.

    2009-01-01

    Cyclic di-GMP (c-di-GMP) is a ubiquitous bacterial second messenger that is involved in the regulation of cell surface-associated traits and the persistence of infections. Omnipresent GGDEF and EAL domains, which occur in various combinations with regulatory domains, catalyze c-di-GMP synthesis and degradation, respectively. The crystal structure of full-length YkuI from Bacillus subtilis, composed of an EAL domain and a C-terminal PAS-like domain, has been determined in its native form and in complex with c-di-GMP and Ca2+. The EAL domain exhibits a triose-phosphate isomerase-barrel fold with one antiparallel β-strand. The complex with c-di-GMP-Ca2+ defines the active site of the putative phosphodiesterase located at the C-terminal end of the β-barrel. The EAL motif is part of the active site with Glu-33 of the motif being involved in cation coordination. The structure of the complex allows the proposal of a phosphodiesterase mechanism, in which the divalent cation and the general base Glu-209 activate a catalytic water molecule for nucleophilic in-line attack on the phosphorus. The C-terminal domain closely resembles the PAS-fold. Its pocket-like structure could accommodate a yet unknown ligand. YkuI forms a tight dimer via EAL-EAL and trans EAL-PAS-like domain association. The possible regulatory significance of the EAL-EAL interface and a mechanism for signal transduction between sensory and catalytic domains of c-di-GMP-specific phosphodiesterases are discussed. PMID:19244251

  9. Synthesis, spectroscopic, cyclic voltammetry properties and molecular structure of the thiocyanato-N meso-tetratolylporphyrinato zinc(II) ion complex

    NASA Astrophysics Data System (ADS)

    Denden, Zouhour; Harhouri, Wafa; Ben Haj Hassen, Leila; Rousselin, Yoann; Saint-Aman, Eric; Nasri, Habib

    2017-04-01

    This paper describes the synthesis of the (thiocyanato-N)(meso-tetratolylporphyrinato)zinc(II) chlorobenzene monosolvate complex with the formula [K(2,2,2-crypt)][Zn(TTP)(NCS)]·C6H5Cl (I) using the cryptand-222 to solubilize potassium thiocyanate in chlorobenzene solvent. Complex (I) has been characterized by elementary analysis, IR, UV-vis, 1H NMR and MS, and the structure of this new zinc(II) metalloporphyrin been examined crystallographically. A cyclic voltammetry investigation was also carried out on this species. The title compound crystallizes in the triclinic, space group P-1, with a = 11.5151(7) Å, b = 15.212(10) Å, c = 20.1093(12) Å, α = 80.428(4)°, β = 74.926(4)°, γ = 84.704(4)°, V = 3364.7(4) Å3, Z = 2 and Dcal = 1.303 g cm-3. The porphyrin macrocycle of (I) exhibits moderate ruffling and saddle distortions. In the crystal, the [Zn(TTP)(NCS)]- ion complexes, the [K(2,2,2-crypt)]+ counterions and the chlorobenzene solvent molecules are involved in a number of weak C__H⋯S and C-H⋯π intermolecular interactions forming a three-dimensional framework.

  10. First-principles study of the effect of (111) strain on octahedral rotations and structural phases of LaAl O3

    NASA Astrophysics Data System (ADS)

    Moreau, Magnus; Marthinsen, Astrid; Selbach, Sverre M.; Tybell, Thomas

    2017-02-01

    The structural and electronic response of LaAl O3 to biaxial strain in the (111) plane is studied by density functional theory (DFT) and compared with strain in the (001) plane and isostatic strain. For (111) strain, in-plane rotations are stabilized by compressive strain and out-of-plane rotations by tensile strain. This is an opposite splitting of the modes compared with (001) strain. Furthermore, for compressive (111) strain, in-plane rotations are degenerate with respect to the rotation axis, giving rise to Goldstone-like modes. We rationalize these changes in octahedral rotations by analyzing the VA/VB polyhedral volume ratios. Finally, we investigate how strain affects the calculated band gap, and find a 28% difference between the strain planes under 4% tension. This effect is attributed to different A-site dodecahedral crystal field splitting for (001) and (111) strains.

  11. Life prediction for a structural material under cyclic loads with hold times using a viscoplastic constitutive model. Final report, 1 February 1983-31 January 1984

    SciTech Connect

    Eftis, J.; Jones, D.L.

    1984-12-31

    This investigation demonstrates the ability of the Chaboche viscoplastic constitutive theory to model the behavior of Ti-6Al-4V alloy at non-elevated temperature. The range of material behavior considered includes uniaxial monotonic stress-strain primary creep, stress relaxation, kinematic and isotropic hardening (and softening) under cyclic loading with and without hold times. The six materials parameters of the viscoplastic theory were evaluated from a series of strain-controlled stabilized cyclic loading tests, and room temperature primary creep tests. The viscoplastic strain calculations were integrated into a fatigue life prediction methodology for low cycle fatigue. Two sets of low cycle fatigue life predictions were carried out and compared with experimental data. One involved strain-controlled cyclic loading without hold times, and the other stress-controlled cyclic loading with hold times. Good agreement was found between predicted and actual results.

  12. Synthesis, structural and spectroscopic characterization, catalytic properties, and thermal transformations of new cyclic di- and trisiloxanediolato tantalum complexes.

    PubMed

    Kapoor, Ramesh N; Cervantes-Lee, Francisco; Campana, Charles F; Haltiwanger, Curtis; Abney, Kent; Pannell, Keith H

    2006-03-06

    The reaction between Ta(OEt)5 and 1,1,3,3-tetramethyl-1,3-disiloxanediol, (HOSiMe2OSiMe2OH), leads to new siloxy complexes in which the dimeric nature of Ta(OEt)5 is maintained with both bridging ethoxide and disiloxanediolato bridges. With equal amounts of the reagents, two terminal OEt groups are replaced to form [Ta(OEt)2]2(mu-OEt)2(mu-OSiMe2OSiMe2O)2, 1, whereas with an excess of diol, the remaining terminal OEt groups are also replaced but with a trisiloxanediolato unit to form [Ta(OSiMe2OSiMe2OSiMe2O)]2(mu-OEt)2(mu-OSiMe2OSiMe2O)2, 2. Complexes 1 and 2 catalyze the transformation of HOSiMe2OSiMe2OH to polysiloxanes. Thermal treatment of 1 results in the formation of a 1:2 mixture of Ta2O5/SiO2; no new phases are observed. The molecular structures of 1 and 2 are confirmed by X-ray crystallography.

  13. 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.

  14. Microwave spectrum, structure, dipole moment, quadrupole coupling constants, and barrier to internal rotation of methoxyborane, CH 3OBH 2

    NASA Astrophysics Data System (ADS)

    Kawashima, Yoshiyuki; Takeo, Harutoshi; Matsumura, Chi

    1986-03-01

    A short-lived boron compound, CH 3OBH 2, has been identified by microwave spectroscopy as an intermediate in the reaction of diborane with methanol or diborane with formaldehyde. The spectrum shows large splittings due to the internal rotation of the methyl top. An analysis of the spectrum by use of the principal axis method leads to the following parameters for the normal species: A = 50684.2(13) MHz, B = 10284.41(11) MHz, C = 9024.80(11) MHz, θ = 26.06(18)°, s = 15.983(5), I α = 3.226(11) u Å2, and V3 = 740(5) cal/mol. The hyperfine structure due to the 11B nuclear quadrupole moment has also been analyzed, and χaa = -1.90(24) MHz, χbb = -1.91(24) MHz, and χcc = 3.81(22) MHz have been obtained. The total electric dipole moment determined for the normal species is μ = 1.61(10) D. The molecular structure has been determined from the rotational constants of 10B, 13C, CH 3OBD 2, CD 3OBH 2, and CHD 2OBH 2 species with the aid of an ab initio MO calculation.

  15. Probe measurements of the three-dimensional magnetic field structure in a rotating magnetic field sustained field-reversed configuration

    NASA Astrophysics Data System (ADS)

    Velas, K. M.; Milroy, R. D.

    2014-01-01

    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 Br, Bθ, and Bz 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.

  16. Aluminum complexes derived from a hexadentate salen-type Schiff base: synthesis, structure, and catalysis for cyclic carbonate synthesis.

    PubMed

    Xu, Ya; Yuan, Dan; Wang, Yaorong; Yao, Yingming

    2017-04-12

    Different aluminum complexes were synthesized by the reaction of aluminum alkyls with a hexadentate salen-type Schiff base. The reaction of N,N'-bis(3,5-di-tert-butylsalicylidene)-2,2'-(ethylenedioxy)dianiline (LH2) with one equiv. of AlMe3 in toluene at 100 °C proceeded by methane elimination to produce the intermediate methyl complex [AlMeL] (1), and then subsequent intramolecular methyl migration to give the aluminum complex [AlL'] (2) [L' = (2-O-3,5-(t)Bu2C6H2)CH[double bond, length as m-dash]NC6H4OCH2CH2OC6H4NCH(Me)(2'-O-3',5'-(t)Bu2C6H2)]. The reaction of the same ligand with AlEt3 under the same experimental conditions involved ethane elimination, ethylene elimination and intramolecular hydrogen migration, and led to the complex [AlL''] (3) [L'' = (2-O-3,5-(t)Bu2C6H2)CH[double bond, length as m-dash]NC6H4OCH2CH2OC6H4NCH2(2'-O-3',5'-(t)Bu2C6H2)]. However, the interaction of two equivalents of AlMe3 and AlEt3 afforded the corresponding binuclear complexes [(AlMe2)2L] (4) and [(AlEt2)2L] (5), respectively, and no methyl or hydrogen migration was found. The solid-state structures of aluminum complexes 1-3 were determined by single-crystal X-ray diffraction. It was found that complexes 2-5 show a very effective catalytic activity for the cycloaddition of epoxides and CO2 in the presence of NBu4Br as a cocatalyst at atmospheric pressure.

  17. Cryo-EM structures of the autoinhibited E. coli ATP synthase in three rotational states.

    PubMed

    Sobti, Meghna; Smits, Callum; Wong, Andrew Sw; Ishmukhametov, Robert; Stock, Daniela; Sandin, Sara; Stewart, Alastair G

    2016-12-21

    A molecular model that provides a framework for interpreting the wealth of functional information obtained on the E. coli F-ATP synthase has been generated using cryo-electron microscopy. Three different states that relate to rotation of the enzyme were observed, with the central stalk's ε subunit in an extended autoinhibitory conformation in all three states. The Fo motor comprises of seven transmembrane helices and a decameric c-ring and invaginations on either side of the membrane indicate the entry and exit channels for protons. The proton translocating subunit contains near parallel helices inclined by ~30° to the membrane, a feature now synonymous with rotary ATPases. For the first time in this rotary ATPase subtype, the peripheral stalk is resolved over its entire length of the complex, revealing the F1 attachment points and a coiled-coil that bifurcates toward the membrane with its helices separating to embrace subunit a from two sides.

  18. [Rice-wheat rotational FACE platform. I. System structure and control].

    PubMed

    Liu, Gang; Han, Yong; Zhu, Jianguo; Okada, M; Nakamura, H; Yoshimoto, M

    2002-10-01

    A Free Air CO2 Enrichment (FACE) system for rice and winter wheat rotation was established, elevated CO2 concentration was controlled to 200 mumol.mol-1 above ambient by computer system platform according to ambient CO2 concentration variation, wind direction, wind speed, canopy height and day-night changing. Experiments showed that the main factors affecting control precision are wind speed, crop and soil respiration and thickness of diffuse layer. After parameters adjustment, in daytime the time fraction for control precision achieve 80% is 83%, in night is 68%. The CO2 concentrations distribution in FACE rings are uniformity. The set CO2 is 557 mol.mol-1 in daytime and 608 mol.mol-1 in night. In 2001 rice season the target achievement ratios (TAR) were 1.03 after sunrise and 1.09 after sunset, respectively.

  19. Color and Kerr rotation in a dielectric/ferromagnetic double layers structure

    NASA Astrophysics Data System (ADS)

    Zhang, Jing; Wang, Hai; Qu, Xin; Zhou, Yunsong

    2017-02-01

    By the multiple reflections and transmissions in a dielectric on a ferromagnetic metal, color and Kerr rotation correlate with each other. It is revealed that the real refractive index of dielectric plays a major role on the variations of color and Kerr signal, while the absorbing term adjusts the intensive color exhibition and Kerr enhancement at much thinner dielectric thickness. The intensive Kerr signal variation is always accompanied by the color transition with the dielectric thickness changing. Experimental results observed in silicon(or silica)/iron samples are well consistent with calculations. Nanometer dielectric optical coating can not only enhance Kerr effect but also endow magnetic surface with chromatics, which has promising potential applications in anti-fake brands, colorful decorations, camouflages, and even bionics.

  20. 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.

  1. 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.

  2. An algorithm for computing the 2D structure of fast rotating stars

    SciTech Connect

    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.

  3. 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.

  4. Swimming in spacetime: motion by cyclic changes in body shape.

    PubMed

    Wisdom, Jack

    2003-03-21

    Cyclic changes in the shape of a quasi-rigid body on a curved manifold can lead to net translation and/or rotation of the body. The amount of translation depends on the intrinsic curvature of the manifold. Presuming spacetime is a curved manifold as portrayed by general relativity, translation in space can be accomplished simply by cyclic changes in the shape of a body, without any external forces.

  5. Cyclic Vomiting Syndrome

    MedlinePlus

    ... 2013. Slutsker B, et al. Breaking the cycle: Cognitive behavioral therapy and biofeedback training in a case of cyclic vomiting syndrome. Psychology, Health & Medicine. 2010;15:625. Boles RG. High ...

  6. 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.

  7. Generation of large-scale structures and vortex systems in numerical experiments for rotating annular channels

    NASA Astrophysics Data System (ADS)

    Gledzer, A. E.

    2016-12-01

    Methods for solving shallow-water equations that describe flows in rotating annular channels are considered and the results of numerical calculations are analyzed for the possible generation of global large-scale flows, narrow jets, and numerous small-scale vortices in laboratory experiments. External effects in fluids are induced using a mass source-sink and the MHD-method of interaction of radial electric current with the magnetic field generated by the field of permanent magnets. A central-upwind scheme modified to suit the specific aspects of geophysical hydrodynamics. Initially, this method was used to solve shallow-water equations only in hydraulic problems, such as for flows in dam breaks, channels, rivers, and lakes. Geophysical hydrodynamics (in addition to free surface and topography) requires a rotation of the system as a whole, which is accompanied by the appearance of a complex system of vortices, jets, and turbulence (these should be taken into account in the formulation of the problem). Accordingly, the basic features of the central-upwind method should be changed. The modifications should ensure that the scheme is well-balanced and choose interpolation methods for desired variables. The main result of this modification is the control over numerical viscosity affecting the fluid motion variety. The active dynamics of a large number of vortices transformed into jets or generating large-scale streams is the general result of modifications suitable for geophysical hydrodynamics. Because there are technical difficulties in the creation of an appropriate laboratory setup for modeling of geophysical flows with the help of numerous source-sinks, it will be appropriate to use numerical experiments for studying the motions generated by this method. Unlike this method, the MHD-method can be rather easily used in laboratory conditions to generate a large variety of flows and vortex currents in the channel by a relatively small number of permanent magnets

  8. Rotating Connection for Electrical Cables

    NASA Technical Reports Server (NTRS)

    Manges, D. R.

    1986-01-01

    Cable reel provides electrical connections between fixed structure and rotating one. Reel carries power and signal lines while allowing rotating structure to turn up to 360 degrees with respect to fixed structure. Reel replaces sliprings. Can be used to electrically connect arm of robot with body. Reel releases cable to rotating part as it turns and takes up cable as rotating part comes back to its starting position, without tangling, twisting, or kinking.

  9. 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.

  10. Cryo-EM structures of the autoinhibited E. coli ATP synthase in three rotational states

    PubMed Central

    Sobti, Meghna; Smits, Callum; Wong, Andrew SW; Ishmukhametov, Robert; Stock, Daniela; Sandin, Sara; Stewart, Alastair G

    2016-01-01

    A molecular model that provides a framework for interpreting the wealth of functional information obtained on the E. coli F-ATP synthase has been generated using cryo-electron microscopy. Three different states that relate to rotation of the enzyme were observed, with the central stalk’s ε subunit in an extended autoinhibitory conformation in all three states. The Fo motor comprises of seven transmembrane helices and a decameric c-ring and invaginations on either side of the membrane indicate the entry and exit channels for protons. The proton translocating subunit contains near parallel helices inclined by ~30° to the membrane, a feature now synonymous with rotary ATPases. For the first time in this rotary ATPase subtype, the peripheral stalk is resolved over its entire length of the complex, revealing the F1 attachment points and a coiled-coil that bifurcates toward the membrane with its helices separating to embrace subunit a from two sides. DOI: http://dx.doi.org/10.7554/eLife.21598.001 PMID:28001127

  11. 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).

  12. 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.

  13. Three-dimensional vortex structure of a fast rotating Bose-Einstein condensate with harmonic-plus-quartic confinement

    SciTech Connect

    Danaila, Ionut

    2005-07-15

    We address the challenging proposition of using real experimental parameters in a three-dimensional (3D) numerical simulation of fast rotating Bose-Einstein condensates. We simulate recent experiments [V. Bretin, S. Stock, Y. Seurin, and J. Dalibard, Phys. Rev. Lett. 92, 050403 (2004); S. Stock, V. Bretin, S. Stock, F. Chevy, and J. Dalibard, Europhys. Lett. 65, 594 (2004)] using an anharmonic (quadratic-plus-quartic) confining potential to reach rotation frequencies ({omega}) above the trap frequency ({omega}{sub perpendicular}). Our numerical results are obtained by propagating the 3D Gross-Pitaevskii equation in imaginary time. For {omega}{<=}{omega}{sub perpendicular}, we obtain an equilibrium vortex lattice similar (as the size and number of vortices) to experimental observations. For {omega}>{omega}{sub perpendicular} we observe the evolution of the vortex lattice into an array of vortices with a central hole. Since this evolution was not visible in experiments, we investigate the 3D structure of vortex configurations and 3D effects on vortex contrast. Numerical data are also compared to recent theory [D. E. Sheehy and L. Radzihovsky, Phys. Rev. A 70, 063620 (2004)] describing vortex lattice inhomogeneities and a remarkably good agreement is found.

  14. Accretion by rotating magnetic neutron stars. II - Radial and vertical structure of the transition zone in disk accretion

    NASA Technical Reports Server (NTRS)

    Ghosh, P.; Lamb, F. K.

    1979-01-01

    The radial and vertical structure of the transition zone at the magnetospheric boundary of an aligned rotating neutron star accreting matter from a Keplerian disk are calculated. The results obtained indicate that: (1) the inner edge of the disk is located where the integrated magnetic stress acting on the disk plasma becomes comparable to the integrated material stress associated with its inward radial drift and orbital motion; (2) the stellar magnetic field threads the disk near its inner edge via the Kelvin-Helmholtz instability, turbulent diffusion, and reconnection, producing a broad transition zone between the unperturbed disk flow and corotating magnetosphere; (3) the transition zone consists of two qualitatively different regions, viz., a broad outer transition zone where the motion is Keplerian and a narrow inner zone, or boundary layer, where the departure from Keplerian motion is substantial; (4) the stellar magnetic field is largely but not entirely screened by currents flowing in the boundary layer; and (5) there are no steady-flow solutions for sufficiently fast stellar rotation.

  15. Predictors of human rotation.

    PubMed

    Stochl, Jan; Croudace, Tim

    2013-01-01

    Why some humans prefer to rotate clockwise rather than anticlockwise is not well understood. This study aims to identify the predictors of the preferred rotation direction in humans. The variables hypothesised to influence rotation preference include handedness, footedness, sex, brain hemisphere lateralisation, and the Coriolis effect (which results from geospatial location on the Earth). An online questionnaire allowed us to analyse data from 1526 respondents in 97 countries. Factor analysis showed that the direction of rotation should be studied separately for local and global movements. Handedness, footedness, and the item hypothesised to measure brain hemisphere lateralisation are predictors of rotation direction for both global and local movements. Sex is a predictor of the direction of global rotation movements but not local ones, and both sexes tend to rotate clockwise. Geospatial location does not predict the preferred direction of rotation. Our study confirms previous findings concerning the influence of handedness, footedness, and sex on human rotation; our study also provides new insight into the underlying structure of human rotation movements and excludes the Coriolis effect as a predictor of rotation.

  16. Cylindrical rotating triboelectric nanogenerator.

    PubMed

    Bai, Peng; Zhu, Guang; Liu, Ying; Chen, Jun; Jing, Qingshen; Yang, Weiqing; Ma, Jusheng; Zhang, Gong; Wang, Zhong Lin

    2013-07-23

    We demonstrate a cylindrical rotating triboelectric nanogenerator (TENG) based on sliding electrification for harvesting mechanical energy from rotational motion. The rotating TENG is based on a core-shell structure that is made of distinctly different triboelectric materials with alternative strip structures on the surface. The charge transfer is strengthened with the formation of polymer nanoparticles on surfaces. During coaxial rotation, a contact-induced electrification and the relative sliding between the contact surfaces of the core and the shell result in an "in-plane" lateral polarization, which drives the flow of electrons in the external load. A power density of 36.9 W/m(2) (short-circuit current of 90 μA and open-circuit voltage of 410 V) has been achieved by a rotating TENG with 8 strip units at a linear rotational velocity of 1.33 m/s (a rotation rate of 1000 r/min). The output can be further enhanced by integrating more strip units and/or applying larger linear rotational velocity. This rotating TENG can be used as a direct power source to drive small electronics, such as LED bulbs. This study proves the possibility to harvest mechanical energy by TENGs from rotational motion, demonstrating its potential for harvesting the flow energy of air or water for applications such as self-powered environmental sensors and wildlife tracking devices.

  17. Cyclic hardening in bundled actin networks.

    PubMed

    Schmoller, K M; Fernández, P; Arevalo, R C; Blair, D L; Bausch, A R

    2010-01-01

    Nonlinear deformations can irreversibly alter the mechanical properties of materials. Most soft materials, such as rubber and living tissues, display pronounced softening when cyclically deformed. Here we show that, in contrast, reconstituted networks of crosslinked, bundled actin filaments harden when subject to cyclical shear. As a consequence, they exhibit a mechano-memory where a significant stress barrier is generated at the maximum of the cyclic shear strain. This unique response is crucially determined by the network architecture: at lower crosslinker concentrations networks do not harden, but soften showing the classic Mullins effect known from rubber-like materials. By simultaneously performing macrorheology and confocal microscopy, we show that cyclic shearing results in structural reorganization of the network constituents such that the maximum applied strain is encoded into the network architecture.

  18. 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

  19. Gas-phase doubly charged complexes of cyclic peptides with copper in +1, +2 and +3 formal oxidation states: formation, structures and electron capture dissociation.

    PubMed

    Afonso, Carlos; Tabet, Jean-Claude; Giorgi, Gianluca; Tureček, František

    2012-02-01

    Copper complexes with a cyclic D-His-β-Ala-L-His-L-Lys and all-L-His-β-Ala-His-Lys peptides were generated by electrospray which were doubly charged ions that had different formal oxidation states of Cu(I), Cu(II) and Cu(III) and different protonation states of the peptide ligands. Electron capture dissociation showed no substantial differences between the D-His and L-His complexes. All complexes underwent peptide cross-ring cleavages upon electron capture. The modes of ring cleavage depended on the formal oxidation state of the Cu ion and peptide protonation. Density functional theory (DFT) calculations, using the B3LYP with an effective core potential at Cu and M06-2X functionals, identified several precursor ion structures in which the Cu ion was threecoordinated to pentacoordinated by the His and Lys side-chain groups and the peptide amide or enolimine groups. The electronic structure of the formally Cu(III) complexes pointed to an effective Cu(I) oxidation state with the other charge residing in the peptide ligand. The relative energies of isomeric complexes of the [Cu(c-HAHK + H)](2+) and [Cu(c-HAHK - H)](2+) type with closed electronic shells followed similar orders when treated by the B3LYP and M06-2X functionals. Large differences between relative energies calculated by these methods were obtained for open-shell complexes of the [Cu(c-HAHK)](2+) type. Charge reduction resulted in lowering the coordination numbers for some Cu complexes that depended on the singlet or triplet spin state being formed. For [Cu(c-HAHK - H)](2+) complexes, solution H/D exchange involved only the N-H protons, resulting in the exchange of up to seven protons, as established by ultra-high mass resolution measurements. Contrasting the experiments, DFT calculations found the lowest energy structures for the gas-phase ions that were deprotonated at the peptide C(α) positions.

  20. 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.

  1. Cooperative-motion-induced structural evolution in dusty-plasma liquids with microheterogeneity: rupture, rotation, healing, and growth of ordered domains.

    PubMed

    Yang, Chi; Io, Chong-Wai; I, Lin

    2012-11-30

    The cooperative motion induced structural evolution of the liquid with microheterogeneity is investigated in quasi-2D dusty plasma liquids, through direct optical visualization. A novel bond-dynamics analysis is used to further classify the robust cooperative 2D clusters into static, rotating, and drifting patches, beyond the earlier findings of the cooperative hopping strings and bands. The relative motion between two adjacent clusters causes the formation of a fractal network with narrow shear strips along the cluster interface. The rotation of the large ordered patch through rupturing into multiple rotating patches followed by the healing process, and the growth to a larger ordered patch by aligning the different lattice orientations of the adjacent ordered domains through patch rupturing, rotation, drifting, and merging are the key processes for the microstructural evolution.

  2. Determination of exchange and rotational anisotropies in IrMn /Fe(t)/IrMn exchange coupled structures using dynamic and static techniques: Application to microwave devices

    NASA Astrophysics Data System (ADS)

    Kuanr, Bijoy K.; Maat, Stefan; Chandrashekariaih, S.; Veerakumar, V.; Camley, R. E.; Celinski, Z.

    2008-04-01

    We determined the exchange anisotropy and rotational anisotropy of IrMn(7 nm)/Fe(t=3-20 nm)/IrMn(7 nm) exchange-biased structures using conventional ferromagnetic resonance (FMR) and network analyzer FMR (NA-FMR). Compared to single Fe layer films of identical thickness, we observe an isotropic downward shift and an angular variation of the FMR resonance field in the multilayer structures. The isotropic shift originates from the rotational anisotropy, while the angular variation originates from the exchange anisotropy. Both exchange anisotropy and rotational anisotropy increase with decreasing Fe thickness in the exchange-biased structures. The isotropic downward shift of the resonance field translates to an upward shift of the resonance frequency, and can be used to boost the operational frequency of microwave devices (bandpass/stop filters) by several gigahertz.

  3. 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

  4. 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

  5. [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.

  6. Response of soil microbial biomass and community structures to conventional and organic farming systems under identical crop rotations.

    PubMed

    Esperschütz, Jürgen; Gattinger, Andreas; Mäder, Paul; Schloter, Michael; Fliessbach, Andreas

    2007-07-01

    In this study the influence of different farming systems on microbial community structure was analyzed using soil samples from the DOK long-term field experiment in Switzerland, which comprises organic (BIODYN and BIOORG) and conventional (CONFYM and CONMIN) farming systems as well as an unfertilized control (NOFERT). We examined microbial communities in winter wheat plots at two different points in the crop rotation (after potatoes and after maize). Employing extended polar lipid analysis up to 244 different phospholipid fatty acids (PLFA) and phospholipid ether lipids (PLEL) were detected. Higher concentrations of PLFA and PLEL in BIODYN and BIOORG indicated a significant influence of organic agriculture on microbial biomass. Farmyard manure (FYM) application consistently revealed the strongest, and the preceding crop the weakest, influence on domain-specific biomass, diversity indices and microbial community structures. Esterlinked PLFA from slowly growing bacteria (k-strategists) showed the strongest responses to long-term organic fertilization. Although the highest fungal biomass was found in the two organic systems of the DOK field trial, their contribution to the differentiation of community structures according to the management regime was relatively low. Prokaryotic communities responded most strongly to either conventional or organic farming management.

  7. 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...

  8. 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

  9. 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.

  10. 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.

  11. 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.

  12. Outcome and structural integrity of rotator cuff after arthroscopic treatment of large and massive tears with double row technique: a 2-year followup.

    PubMed

    Carbonel, Ignacio; Martínez, Angel A; Aldea, Elisa; Ripalda, Jorge; Herrera, Antonio

    2013-01-01

    Purpose. The purpose of this study was to evaluate the functional outcome and the tendon healing after arthroscopic double row rotator cuff repair of large and massive rotator cuff tears. Methods. 82 patients with a full-thickness large and massive rotator cuff tear underwent arthroscopic repair with double row technique. Results were evaluated by use of the UCLA, ASES, and Constant questionnaires, the Shoulder Strength Index (SSI), and range of motion. Follow-up time was 2 years. Magnetic resonance imaging (MRI) studies were performed on each shoulder preoperatively and 2 years after repair. Results. 100% of the patients were followed up. UCLA, ASES, and Constant questionnaires showed significant improvement compared with preoperatively (P < 0.001). Range of motion and SSI in flexion, abduction, and internal and external rotation also showed significant improvement (P < 0.001). MRI studies showed 24 cases of tear after repair (29%). Only 8 cases were a full-thickness tear. Conclusions. At two years of followup, in large and massive rotator cuff tears, an arthroscopic double row rotator cuff repair technique produces an excellent functional outcome and structural integrity.

  13. Outcome and Structural Integrity of Rotator Cuff after Arthroscopic Treatment of Large and Massive Tears with Double Row Technique: A 2-Year Followup

    PubMed Central

    Carbonel, Ignacio; Martínez, Angel A.; Aldea, Elisa; Ripalda, Jorge

    2013-01-01

    Purpose. The purpose of this study was to evaluate the functional outcome and the tendon healing after arthroscopic double row rotator cuff repair of large and massive rotator cuff tears. Methods. 82 patients with a full-thickness large and massive rotator cuff tear underwent arthroscopic repair with double row technique. Results were evaluated by use of the UCLA, ASES, and Constant questionnaires, the Shoulder Strength Index (SSI), and range of motion. Follow-up time was 2 years. Magnetic resonance imaging (MRI) studies were performed on each shoulder preoperatively and 2 years after repair. Results. 100% of the patients were followed up. UCLA, ASES, and Constant questionnaires showed significant improvement compared with preoperatively (P < 0.001). Range of motion and SSI in flexion, abduction, and internal and external rotation also showed significant improvement (P < 0.001). MRI studies showed 24 cases of tear after repair (29%). Only 8 cases were a full-thickness tear. Conclusions. At two years of followup, in large and massive rotator cuff tears, an arthroscopic double row rotator cuff repair technique produces an excellent functional outcome and structural integrity. PMID:23533788

  14. The new INRIM rotating encoder angle comparator (REAC)

    NASA Astrophysics Data System (ADS)

    Pisani, Marco; Astrua, Milena

    2017-04-01

    A novel angle comparator has been built and tested at INRIM. The device is based on a double air bearing structure embedding a continuously rotating encoder, which is read by two heads: one fixed to the base of the comparator and a second fixed to the upper moving part of the comparator. The phase measurement between the two heads’ signals is proportional to the relative angle suspended between them (and, therefore, the angle between the base and the upper, movable part of the comparator). The advantage of this solution is to reduce the encoder graduation errors and to cancel the cyclic errors due to the interpolation of the encoder lines. By using only two pairs of reading heads, we have achieved an intrinsic accuracy of  ±0.04″ (rectangular distribution) that can be reduced through self-calibration. The residual cyclic errors have shown to be less than 0.01″ peak-to-peak. The random fluctuations are less than 0.01″ rms on a 100 s time interval. A further advantage of the rotating encoder is the intrinsic knowledge of the absolute position without the need of a zeroing procedure. Construction details of the rotating encoder angle comparator (REAC), characterization tests, and examples of practical use are given.

  15. Thermo-Flow Structure and Epitaxial Uniformity in Large-Scale Metalorganic Chemical Vapor Deposition Reactors with Rotating Susceptor and Inlet Flow Control

    NASA Astrophysics Data System (ADS)

    Soong, Chyi-Yeou; Chyuan, Chung-Hsing; Tzong, Ruey-Yau

    1998-10-01

    The transport phenomena in large-scale metalorganic chemical vapor deposition (MOCVD) reactors with a rotating susceptor are investigated by numerical simulation of thin-film epitaxial growth of gallium arsenide. We are mainly concerned with the thermo-flow structure, its influence on epitaxial growth rate, and the means of improving epilayer flatness. The effects of susceptor rotation and thermo-flow conditions on gas flow, temperature and concentration fields are studied. The present results show the flow structure and transport characteristics in various flow regimes. A parameter map and the associated correlations of boundary curves of the flow-mode transition are proposed. It is demonstrated that the epilayer flatness can be tuned either by properly controlling the vortex strength in a rotation-dominated flow regime and/or by employing an inlet flow control technique proposed in the present work.

  16. Rotational structure of the odd-proton nuclide 171Tm: A projected shell model study

    NASA Astrophysics Data System (ADS)

    Liu, YanXin; Chen, FangQi; Yu, ShaoYing; Sun, Yang

    2015-05-01

    Deformed odd-mass nuclei are ideal examples where the interplay between single-particle and collective degrees of freedom can be studied. Inspired by the recent experimental high-spin data in the odd-proton nuclide 171Tm, we perform projected shell model (PSM) calculations to investigate structure of the ground band and other bands based on isomeric states. In addition to the usual quadrupole-quadrupole force in the Hamiltonian, we employ the hexadecapole-hexadecapole ( HH) interaction, in a self-consistent way with the hexadecapole deformation of the deformed basis. It is found that the known experimental data can be well described by the PSM calculation. The effect of the HH force on the quasiparticle isomeric states is discussed.

  17. 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.

  18. 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.

  19. 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…

  20. 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.

  1. Complex structure and biochemical characterization of the Staphylococcus aureus cyclic diadenylate monophosphate (c-di-AMP)-binding protein PstA, the founding member of a new signal transduction protein family.

    PubMed

    Campeotto, Ivan; Zhang, Yong; Mladenov, Miroslav G; Freemont, Paul S; Gründling, Angelika

    2015-01-30

    Signaling nucleotides are integral parts of signal transduction systems allowing bacteria to cope with and rapidly respond to changes in the environment. The Staphylococcus aureus PII-like signal transduction protein PstA was recently identified as a cyclic diadenylate monophosphate (c-di-AMP)-binding protein. Here, we present the crystal structures of the apo- and c-di-AMP-bound PstA protein, which is trimeric in solution as well as in the crystals. The structures combined with detailed bioinformatics analysis revealed that the protein belongs to a new family of proteins with a similar core fold but with distinct features to classical PII proteins, which usually function in nitrogen metabolism pathways in bacteria. The complex structure revealed three identical c-di-AMP-binding sites per trimer with each binding site at a monomer-monomer interface. Although distinctly different from other cyclic-di-nucleotide-binding sites, as the half-binding sites are not symmetrical, the complex structure also highlighted common features for c-di-AMP-binding sites. A comparison between the apo and complex structures revealed a series of conformational changes that result in the ordering of two anti-parallel β-strands that protrude from each monomer and allowed us to propose a mechanism on how the PstA protein functions as a signaling transduction protein.

  2. Symmetry types, systems and their multiplicity in the structure of adenovirus capsid. II. Rotational facet groups of five-, three- and two-fold symmetry axes.

    PubMed

    Nász, I; Adám, Eva

    2006-06-01

    drawn horizontally in the middle along the 6 geodetic ribbon like motifs a regular decagonal intersection forms and the capsid can be cut into two equal parts, in which the polypeptides show a 72 degree rotation from each other, but with a proper rotation the polypeptides get into a congruent position, which means 300 or 600 specific facet combinations. The capsid similar to the icosahedron has also 15 virtual mirror planes which divide the capsid into two, identically arranged halves, forming six right angle triangles on each facet, altogether 120 smaller rectangular so-called Mobius-triangles on the surface. In the three-fold symmetry axis of the facets, these triangles in two separate groups of three can be rotated symmetrically with 120 degrees according to the orientation of the polypeptide subunits in a way that the hexon and other polypeptides too nearly cover each other. Consequently, the adenovirus capsid is a symmetrically arranged body in which several various symmetry types and symmetry systems can be found and their structural symmetry elements exist simultaneously and covering each other. The icosahedral symmetry types and systems are valid and functional simultaneously and in parallel with great multiplicity, but the existence of more than 1500 structural elements in several depth levels, their order of location and distribution make the symmetry of the capsid richer and more complex.

  3. Spatial Relationships of Soil Texture and Crop Rotation to Aspergillus flavus Community Structure in South Texas.

    PubMed

    Jaime-Garcia, Ramon; Cotty, Peter J

    2006-06-01

    ABSTRACT Aspergillus flavus, the causal agent of aflatoxin contamination of cottonseed, is a natural inhabitant of soils. A. flavus can be divided into the S and L strains, of which the S-strain isolates, on average, produce greater quantities of aflatoxins than the L-strain isolates. Aflatoxin contamination can be severe in several crops in South Texas. The structure of A. flavus communities residing in soils of South Texas was determined from 326 soil samples collected from 152 fields located from the Rio Grande Valley in the south to Fort Bend County in the north from 2001 through 2003. Analysis of variance indicated significant differences in the incidence of A. flavus isolates belonging to the S strain (percent S) among regions. The Coastal Bend (30.7%) and Upper Coast (25.5%) regions had significantly higher percent S incidence than the Rio Grande Valley (4.8%). No significant differences in percent S among years were detected. The CFU per gram of soil were not significantly different among regions. Strain S incidence was positively correlated with clay content and negatively correlated with sand content. Fields cropped to cotton the previous year had a higher S-strain incidence, whereas fields cropped to corn had greater total quantities of A. flavus propagules. Maps of S-strain patterns show that the S strain constitutes >30% of the overall A. flavus community in the area extending from the central Coastal Bend region to the central Upper Coast region. The west Rio Grande Valley had the lowest S-strain incidence (<10%). Geographic variation in S-strain incidence may influence the distribution of aflatoxin contamination in South Texas.

  4. 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.

  5. Rotational testing.

    PubMed

    Furman, J M

    2016-01-01

    The natural stimulus for the semicircular canals is rotation of the head, which also might stimulate the otolith organs. Vestibular stimulation usually induces eye movements via the vestibulo-ocular reflex (VOR). The orientation of the subject with respect to the axis of rotation and the orientation of the axis of rotation with respect to gravity together determine which labyrinthine receptors are stimulated for particular motion trajectories. Rotational testing usually includes the measurement of eye movements via a video system but might use a subject's perception of motion. The most common types of rotational testing are whole-body computer-controlled sinusoidal or trapezoidal stimuli during earth-vertical axis rotation (EVAR), which stimulates primarily the horizontal semicircular canals bilaterally. Recently, manual impulsive rotations, known as head impulse testing (HIT), have been developed to assess individual horizontal semicircular canals. Most types of rotational stimuli are not used routinely in the clinical setting but may be used in selected research environments. This chapter will discuss clinically relevant rotational stimuli and several types of rotational testing that are used primarily in research settings.

  6. A novel approach to gravitation from fluid theory: Titius-Bode structures, flat rotation rate of galaxies, and other predictions

    NASA Astrophysics Data System (ADS)

    Munera, Hector A.

    Following the discovery of quantum phenomena at laboratory scale (Couder & Fort 2006), de Broglie pilot wave theory (De Broglie 1962) has been revived under a hydrodynamic guise (Bush 2015). Theoretically, it boils down to solving the transport equations for the energy and linear momentum densities of a postulated fundamental fluid in terms of classical wave equations, which inherently are Lorentz-invariant and scale-invariant. Instead of the conventional harmonic solutions, for astronomical and gravitational problems the novel solutions for the homogeneous wave equation in spherical coordinates are more suitable (Munera et al. 1995, Munera & Guzman 1997, and Munera 2000). Two groups of solutions are particularly relevant: (a) The inherently-quantized helicoidal solutions that may be applicable to describe spiral galaxies, and (b) The non-harmonic solutions with time (t) and distance (r) entangled in the single variable q = Ct/r (C is the two-way local electromagnetic speed). When these functions are plotted against 1/q they manifestly depict quantum effects in the near field, and Newtonian-like gravity in the far-field. The near-field predicts quantized effects similar to ring structures and to Titius-Bode structures, both in our own solar system and in exoplanets, the correlation between predicted and observed structures being typically larger than 99 per cent. In the far-field, some non-harmonic functions have a rate of decrement with distance slower than inverse-square thus explaining the flat rotation rate of galaxies. Additional implications for Trojan orbits, and quantized effects in photon deflection were also noted.

  7. Rotational Spectroscopy of CF_2ClCCl_3 and Analysis of Hyperfine Structure from Four Quadrupolar Nuclei

    NASA Astrophysics Data System (ADS)

    Kisiel, Zbigniew; Bialkowska-Jaworska, Ewa; Uriarte, Iciar; Basterretxea, Francisco J.; Cocinero, Emilio J.

    2016-06-01

    CF_2ClCCl_3 has recently been identified among several new ozone- depleting substances in the atmosphere. There are no literature reports concerning rotational spectroscopy of this molecule, although we were recently able to report its first chirped pulse, supersonic expansion spectrum. CF_2ClCCl_3 has a rather small dipole moment so that the spectrum is weak and each transition displays very complex nuclear quadrupole hyperfine structure resulting from the presence of four chlorine nuclei. We have presently been able to carry out a complete analysis of the hyperfine structure by combining the information from chirped pulse spectra with dedicated higher resolution measurements made with a cavity supersonic expansion instrument. The hyperfine analysis was carried out with Pickett's SPFIT/SPCAT package and the sizes of Hamiltonian matrices are sufficiently large to require the use of 64-bit compilation of these programs (made available for both Windows and Linux systems on the PROSPE website). The resulting fit is to within experimental accuracy and is supported by ab initio calculations. The precise values of off-diagonal hyperfine constants for all nuclei lead to useful angular information that is complementary to direct structural information from moments of inertia. J.C.Laube, M.J.Newland, C.Hogan, et al., Nature Geoscience 7, 266 (2014). Z.Kisiel, E.Białkowska-Jaworska, L.Pszczółkowski, I.Uriarte, P.Ejica, F.J.Basterretxea, E.J.Cocinero, 70th ISMS, Champaign-Urbana, Illinois, RF-11 (2015). Z.Kisiel, E.Białkowska-Jaworska, L.Pszczółkowski, J.Chem.Phys. 109, 10263 (1998).

  8. The Understanding of Pictorial Depth Cues, and the Ability to Visualise the Rotation of Three-dimensional Structures in Diagrams.

    ERIC Educational Resources Information Center

    Seddon, G. M.; Eniaiyeju, P. A.

    1986-01-01

    Explains an investigation which examined Nigerian students' (N=200) ability to respond to depth cues and to visualize the effects of rotations. Study results indicated that performance on cues tests correlated significantly with performance on rotation tests suggesting that cues influence students' ability to visualize the effects of performing…

  9. Cyclic networks of quantum gates

    NASA Astrophysics Data System (ADS)

    Cabauy, Peter

    In this thesis we first give an introduction to the basic aspects of quantum computation followed by an analysis of networks of quantum logic gates where the qubit lines are loops (cyclic). Thus far, investigations into cyclic networks of quantum logic gates have not been examined (as far as we know) by the quantum information community. In our investigations of cyclic quantum networks we have studied simple, one and two qubit systems. The analysis includes: classifying networks into groups, the dynamics of the qubits in a cyclic quantum network, and the perturbation effects of an external qubit acting on a cyclic quantum network. The analysis will be followed by a discussion on quantum algorithms and quantum information processing with cyclic quantum networks, a novel implementation of a cyclic network quantum memory and a discussion of quantum sensors via cyclic quantum networks.

  10. 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.

  11. 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.

  12. 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…

  13. [Symmetry types, systems and multiplicity of the structure of adenovirus capsid. II. Rotational facet-groups of five-, three- and two-fold symmetry axes].

    PubMed

    Nász, István; Adám, Eva

    2006-01-08

    horizontally in the middle along the 6 geodetic ribbon like motifs a regular decagonal intersection forms and the capsid can be cut into two equal parts, in which the polypeptides show a 72 degree rotation from each other, but with a proper rotation the polypeptides get into a congruent position, which means 300 or 600 specific facet combinations. The capsid similar to the icosahedron has also 15 virtual mirror planes which divide the capsid into two, identically arranged halves, forming six right angle triangles on each facet, altogether 120 smaller rectangular so-called Mobius-triangles on the surface. In the three-fold symmetry axis of the facets, these triangles in two separate groups of three can be rotated symmetrically with 120 degrees according to the orientation of the polypeptide subunits in a way that the hexon and other polypeptides too nearly cover each other. Consequently, the adenovirus capsid is a symmetrically arranged body in which several various symmetry types and symmetry systems can be found and their structural symmetry elements exist simultaneously and covering each other. The icosahedral symmetry types and systems are valid and functional simultaneously and in parallel with great multiplicity, but the existence of more than 1500 elements in several depth levels, their order of location and distribution make the symmetry of the capsid richer and more complex.

  14. RFDT: A Rotation Forest-based Predictor for Predicting Drug-Target Interactions using Drug Structure and Protein Sequence Information.

    PubMed

    Wang, Lei; You, Zhu-Hong; Chen, Xing; Yan, Xin; Liu, Gang; Zhang, Wei

    2016-11-14

    Identification of interaction between drugs and target proteins plays an important role in discovering new drug candidates. However, through the experimental method to identify the drug-target interactions remain to be extremely time-consuming, expensive and challenging even nowadays. Therefore, it is urgent to develop new computational methods to predict potential drug-target interactions (DTI). In this article, a novel computational model is developed for predicting potential drug-target interactions under the theory that each drug-target interaction pair can be represented by the structural properties from drugs and evolutionary information derived from proteins. Specifically, the protein sequences are encoded as Position-Specific Scoring Matrix (PSSM) descriptor which contains information of biological evolutionary and the drug molecules are encoded as fingerprint feature vector which represents the existence of certain functional groups or fragments. Four benchmark datasets involving enzymes, ion channels, GPCRs and nuclear receptors, are independently used for establishing predictive models with Rotation Forest (RF) model. The proposed method achieved the prediction accuracy of 91.3%, 89.1%, 84.1% and 71.1% for four datasets respectively. In order to make our method more persuasive, we compared our classifier with the state-of-the-art Support Vector Machine (SVM) classifier. We also compared the proposed method with other excellent methods. Experimental results demonstrate that the proposed method is effective in the prediction of DTI, and can provide assistance for new drug research and development.

  15. 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.

  16. Far-Infrared Rotational and Fine-Structure Transition Frequencies and Molecular Constants of 14NO and 15NO in the X2Pi (v = 0) State.

    PubMed

    Varberg; Stroh; Evenson

    1999-07-01

    We have made highly accurate measurements of the absorption spectrum of the 14NO and 15NO isotopomers of nitric oxide in the far-infrared. Pure rotational transitions up to J" = 3712 within the 2Pi1/2 and 2Pi3/2 spin components and several 2Pi3/2 <-- 2Pi1/2 fine-structure transitions were recorded within the ground vibrational state. A least-squares fit to these data combined with some lambda-doubling and rotational transitions measured by previous workers has resulted in accurate values for the rotational, fine, and hyperfine parameters of these two isotopomers. Most of the far-infrared transitions reported here have an experimental uncertainty of about 20 kHz and will be useful for astronomers and atmospheric scientists studying this important molecule. The more accurate calculated frequencies will also be useful as spectroscopic calibration standards. Copyright 1999 Academic Press.

  17. 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.

  18. Planar tetracoordinate carbons in cyclic hydrocarbons.

    PubMed

    Perez, Nancy; Heine, Thomas; Barthel, Robert; Seifert, Gotthard; Vela, Alberto; Mendez-Rojas, Miguel Angel; Merino, Gabriel

    2005-04-14

    [structure: see text] A series of cyclic hydrocarbons containing a planar tetracoordinate carbon atom is proposed. To rationalize the electronic factors contributing to the stability of these molecules, an analysis of the molecular orbitals and the induced magnetic field is presented.

  19. Analysis of the Rotational Structure in the High-Resolution Infrared Spectrum of TRANS-HEXATRIENE-1-13C1

    NASA Astrophysics Data System (ADS)

    Craig, Norman C.; Tian, Hengfeng; Blake, Thomas A.

    2011-06-01

    Hexatriene-1-13C1 was synthesized by reaction of 2,4-pentadienal and (methyl-13C)-triphenylphosphonium iodide (Wittig reagent). The trans isomer was isolated by preparative gas chromatography, and the high-resolution (0.0015 Cm-1) infrared spectrum was recorded on a Bruker IFS 125HR instrument. The rotational structure in two C-type bands was analyzed. For this species the bands at 1010.7 and 893.740 Cm-1 yielded composite ground state rotational constants of A0 = 0.872820(1), B0 = 0.0435868(4), and C0 = 0.0415314(2) Cm-1. The ground state rotational constants for the 1-13C species were also predicted with Gaussian 03 software and the B3LYP/cc-pVTZ model. After scaling by the ratio of the observed and predicted ground state rotational constants for the normal species, the predicted ground state rotational constants for the 1-13C species agreed within 0.005 % with the observed values. Similar good agreement between observed and calculated values (0.016 %) was found for the three 13C species of the cis isomer. We conclude that ground state rotational constants for single heavy atom substitution can be calculated with adequate accuracy for use in determining semi-experimental equilibrium structures of small molecules. It will be unnecessary to synthesize the other two 13C species of trans-hexatriene. R. D. Suenram, B. H. Pate, A. Lesarri, J. L. Neill, S. Shipman, R. A. Holmes, M. C. Leyden, N. C. Craig J. Phys. Chem. A 113, 1864-1868 (2009).

  20. Precision measurement of the rotational energy-level structure of the three-electron molecule He2+

    NASA Astrophysics Data System (ADS)

    Semeria, Luca; Jansen, Paul; Merkt, Frédéric

    2016-11-01

    The term values of all rotational levels of the 4 He 2 + X + 2 Σu + ( ν + = 0 ) ground vibronic state with rotational quantum number N+ ≤ 19 have been determined with an accuracy of 8 × 10-4 cm-1 (˜25 MHz) by multichannel-quantum-defect-theory-assisted Rydberg spectroscopy of metastable He 2∗ . Comparison of these term values with term values recently calculated ab initio by Tung et al. [J. Chem. Phys. 136, 104309 (2012)] reveals discrepancies that rapidly increase with increasing rotational quantum number and reach values of 0.07 cm-1 (˜2.1 GHz) at N+ = 19.

  1. 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.

  2. 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

  3. Rotating Wavepackets

    ERIC Educational Resources Information Center

    Lekner, John

    2008-01-01

    Any free-particle wavepacket solution of Schrodinger's equation can be converted by differentiations to wavepackets rotating about the original direction of motion. The angular momentum component along the motion associated with this rotation is an integral multiple of [h-bar]. It is an "intrinsic" angular momentum: independent of origin and…

  4. THE FORMATION AND ERUPTION OF A SMALL CIRCULAR FILAMENT DRIVEN BY ROTATING MAGNETIC STRUCTURES IN THE QUIET SUN

    SciTech Connect

    Yang, Bo; Jiang, Yunchun; Yang, Jiayan; Hong, Junchao; Xu, Zhe E-mail: yjy@ynao.ac.cn

    2015-04-20

    We present the first observation of the formation and eruption of a small circular filament driven by a rotating network magnetic field (RNF) in the quiet Sun. In the negative footpoint region of an inverse J-shaped dextral filament, the RNF was formed by the convergence to supergranular junctions of several magnetic flux patches of the same polarity, and it then rotated counterclockwise (CCW) for approximately 11 hr and showed up as a CCW rotating EUV cyclone, during which time the filament gradually evolved into a circular filament that surrounded the cyclone. When the calculated convergence and vortex flows appeared around the RNF during its formation and rotation phases, the injected magnetic helicity calculation also showed negative helicity accumulation during the RNF rotation that was consistent with the dextral chirality of the filament. Finally, the RNF rotation stopped and the cyclone disappeared, and, probably due to an emerging bipole and its forced cancellation with the RNF, the closure filament underwent an eruption along its axis in the (clockwise) direction opposite to the rotation directions of the RNF and cyclone. These observations suggest that the RNFs might play an important role in the formation of nearby small-scale circular filaments as they transport and inject magnetic energy and helicity, and the formation of the EUV cyclones may be a further manifestation of the helicity injected into the corona by the rotation of the RNFs in the photosphere. In addition, the new emerging bipole observed before the filament eruption might be responsible for destabilizing the system and triggering the magnetic reconnection which proves useful for the filament eruption.

  5. The hyperfine structure in the rotational spectra of D2(17)O and HD(17)O: Confirmation of the absolute nuclear magnetic shielding scale for oxygen.

    PubMed

    Puzzarini, Cristina; Cazzoli, Gabriele; Harding, Michael E; Vázquez, Juana; Gauss, Jürgen

    2015-03-28

    Guided by theoretical predictions, the hyperfine structures of the rotational spectra of mono- and bideuterated-water containing (17)O have been experimentally investigated. To reach sub-Doppler resolution, required to resolve the hyperfine structure due to deuterium quadrupole coupling as well as to spin-rotation (SR) and dipolar spin-spin couplings, the Lamb-dip technique has been employed. The experimental investigation and in particular, the spectral analysis have been supported by high-level quantum-chemical computations employing coupled-cluster techniques and, for the first time, a complete experimental determination of the hyperfine parameters involved was possible. The experimentally determined (17)O spin-rotation constants of D2 (17)O and HD(17)O were used to derive the paramagnetic part of the corresponding nuclear magnetic shielding constants. Together with the computed diamagnetic contributions as well as the vibrational and temperature corrections, the latter constants have been employed to confirm the oxygen nuclear magnetic shielding scale, recently established on the basis of spin-rotation data for H2 (17)O [Puzzarini et al., J. Chem. Phys. 131, 234304 (2009)].

  6. 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

  7. Structural constraints on palaeomagnetic rotations south of the Arica Bend, northern Chile: implications for the Bolivian Orocline

    NASA Astrophysics Data System (ADS)

    Scanlan, P. M.; Turner, P.

    1992-04-01

    Palaeomagnetic data from the Central Andean fore-arc appears to support the Bolivian Orocline model, with clockwise rotations to the south, and counter-clockwise rotations to the north of the Arica Bend, respectively. However, counter-clockwise rotations in northernmost Chile extend south of the Arica Deflection, consistent with Mesozoic rotations in southern Peru. This suggests that the Bolivian Orocline model needs to be redefined. We present a palaeomagnetic study of 140 specimens from 15 sites, sampled in Middle Jurassic sediments and volcanics of the Camaraca Formation and in the Upper Jurassic-Lower Cretaceous Cuya Dykes, of northernmost Chile (19.2dgS, 70.3°W). The calculated pole (81.4°S, 354.7°E, α95 = 6.7°), when compared with the Upper Jurassic pole for cratonic South America (89.0°S, 217.1°E, α95 = 4.6°), suggests that the sampled area has undergone a small counter-clockwise rotation of approximately 10°. The change from counter-clockwise to clockwise rotations occurs between 19°S and 23°S and may correspond to a known bend in the Peru-Chile trench. These rotations were probably the result of in-situ block rotation in response to shear. This shear is the result of stresses in the subducted lithosphere, with sinistral shear to the north (counter-clockwise rotations), and relatively larger dextral shear to the south (clockwise rotations) of the bend in the trench, respectively. The amount of shear is reduced in the area of the bend due to contortion of the subducting slab. These stresses resulted due to the shape of the Andean margin rather than as a result of oroclinal bending. The Arica Bend is interpreted as an ancient feature which may have evolved from a hot-spot generated triple-junction rift system. The Velasco Alkaline Province of eastern Bolivia possibly formed the failed-arm of this triple-junction.

  8. Rotating arc spark plug

    DOEpatents

    Whealton, John H.; Tsai, Chin-Chi

    2003-05-27

    A spark plug device includes a structure for modification of an arc, the modification including arc rotation. The spark plug can be used in a combustion engine to reduce emissions and/or improve fuel economy. A method for operating a spark plug and a combustion engine having the spark plug device includes the step of modifying an arc, the modifying including rotating the arc.

  9. Rotational spectra and structure of the Ar2-H2S complex: pulsed nozzle Fourier transform microwave spectroscopic and ab initio studies.

    PubMed

    Mandal, Pankaj K; Ramdass, Dharmender J; Arunan, E

    2005-07-21

    This paper reports the rotational spectrum and structure of the Ar2-H2S complex and its HDS and D2S isotopomers. The ground state structure has heavy-atom C2v symmetry with the two Ar atoms indistinguishable and H2S freely rotating as evinced by the fact that asymmetric top energy levels with Kp=odd levels are missing. The rotational constants for the parent isotopomer are: A=1733.115(1) MHz, B=1617.6160(5) MHz and C=830.2951(2) MHz. Unlike the Ar-H2S complex, the Ar2-H2S does not show an anomalous isotopic shift in rotational constants on deuterium substitution. However, the intermolecular potential is still quite floppy, leading to very different centrifugal distortion constants for the three isotopomers. The Ar-Ar and Ar-c.m.(H2S) distances are determined to be 3.820 A and 4.105 A, respectively. The A rotational constants for Ar2-H2S/HDS/D2S isotopomers are very close to each other and to the B constant of free Ar2, indicating that H2S does not contribute to the moment of inertia about the a-axis. Ab initio calculations at MP2 level with aug-cc-pVQZ basis set lead to an equilibrium C2v minimum structure with the Ar-Ar line perpendicular to the H-H line and the S away from Ar2. The centrifugal distortion constants, calculated using the ab initio force field, are in reasonable agreement with the experimental values. However, they do not show the variation observed for different isotopmers. The binding energy of Ar2-H2S has been determined to be 507 cm-1(6.0 kJ mol-1) by CBS extrapolation after correcting for basis set superposition error. Potential energy scans point out that the barrier for internal rotation of H2S about its b axis is only 10 cm-1 and it is below the zero point energy (13.5 cm-1) in this torsional degree of freedom. Internal rotation of H2S about its a- and c-axes also have small barriers of about 50 cm-1 only, suggesting that H2S is extremely floppy within the complex.

  10. Communication: Structural locking mediated by a water wire: A high-resolution rotational spectroscopy study on hydrated forms of a chiral biphenyl derivative

    NASA Astrophysics Data System (ADS)

    Domingos, Sérgio R.; Pérez, Cristóbal; Schnell, Melanie

    2016-10-01

    We report the observation of structural changes in an axially chiral molecule, biphenyl-2-carboxaldehyde, due to aggregation with water. Using high-resolution broadband rotational spectroscopy we find that two water molecules link opposite sides of the molecule, resembling a water wire. We show that this effect can be explained by a cooperative rearrangement of both molecule and a water dimer. Hydrogen bonding interactions are shown to change the original structure upon aggregation of water. This phenomenon is insightful on the role of microsolvation in assisting structural morphing of stereo-selective chiral molecular systems.

  11. Rotational Spectrum of Sarin

    NASA Astrophysics Data System (ADS)

    Walker, A. R. Hight; Suenram, R. D.; Samuels, Alan; Jensen, James; Ellzy, Michael W.; Lochner, J. Michael; Zeroka, Daniel

    2001-05-01

    As part of an effort to examine the possibility of using molecular-beam Fourier-transform microwave spectroscopy to unambiguously detect and monitor chemical warfare agents, we report the first observation and assignment of the rotational spectrum of the nerve agent Sarin (GB) (Methylphosphonofluoridic acid 1-methyl-ethyl ester, CAS #107-44-8) at frequencies between 10 and 22 GHz. Only one of the two low-energy conformers of this organophosphorus compound (C4H10FO2P) was observed in the rotationally cold (Trot<2 K) molecular beam. The experimental asymmetric-rotor ground-state rotational constants of this conformer are A=2874.0710(9) MHz, B=1168.5776(4) MHz, C=1056.3363(4) MHz (Type A standard uncertainties are given, i.e., 1σ), as obtained from a least-squares analysis of 74 a-, b-, and c-type rotational transitions. Several of the transitions are split into doublets due to the internal rotation of the methyl group attached to the phosphorus. The three-fold-symmetry barrier to internal rotation estimated from these splittings is 677.0(4) cm-1. Ab initio electronic structure calculations using Hartree-Fock, density functional, and Moller-Plesset perturbation theories have also been made. The structure of the lowest-energy conformer determined from a structural optimization at the MP2/6-311G** level of theory is consistent with our experimental findings.

  12. Supergranulation rotation

    NASA Astrophysics Data System (ADS)

    Schou, Jesper; Beck, John G.

    2001-01-01

    Simple convection models estimate the depth of supergranulation at approximately 15,000 km which suggests that supergranules should rotate at the rate of the plasma in the outer 2% of the Sun by radius. Previous measurements (Snodgrass & Ulrich, 1990; Beck & Schou, 2000) found that supergranules rotate significantly faster than this, with a size-dependent rotation rate. We expand on previous work and show that the torsional oscillation signal seen in the supergranules tracks that obtained for normal modes. We also find that the amplitudes and lifetimes of the supergranulation are size dependent.

  13. Cell reorientation under cyclic stretching

    PubMed Central

    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

  14. 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.

  15. A novel approach to gravitation from fluid theory: Titius-Bode structures, flat rotation rate of galaxies and other predictions

    NASA Astrophysics Data System (ADS)

    Munera, Hector A.

    2015-08-01

    The formal analogy between electromagnetism (EM) and gravitation was noted by Maxwell and Faraday, and later on by Heaviside in the 1890s; the analogy was extensively used in the gravito-magnetism of the 20th century. The connection between EM and fluid theory is explicit in Maxwell’s work, and the equivalence of Maxwell equations (ME) to various wave equations is explained in electrodynamics textbooks (say, Jackson’s) additionally, a little-known paper presented by Henri Malet to the Paris Academy of Sciences (1926), demonstrated that the validity of ME concurrently requires the validity of the vector and the scalar homogeneous wave equations.In the 1990s the present author reported in Foundations of Physics Letters the existence of novel solutions for the homogeneous wave equation in spherical coordinates; it turns out that one class of our solutions (the nonharmonic functions of the first-kind, NHFFK) is equivalent to the unified force of nature proposed around 1760 by Boscovich from philosophical considerations, but without a formal mathematical basis. Our finding is significant because it lends a mathematical foundation to Boscovich’s force, which has extremely interesting properties, as quantization in energy and distance —noted by J. J. Thomson before Bohr’s quantum theory.Associated with spherical surfaces in gravitational equilibrium, the family of even NHFFKs described here predict Titius-Body structures at different scales, as the solar system and the moons of Mars, Jupiter, Uranus, Saturn, and Neptune. Each calculated radius is compared to an average distance of moons/planets: the correlation and the R2 coefficients are quite high. The same NHFFK also predict the existence of ring structures, as those observed in Saturn, and in asteroids belts in our solar system. Newtonian gravity appears as the limit at very large distances from the center of force. The family of odd NHFFK exhibits a non-zero limit as distance tends to infinity, feature that

  16. 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.

  17. Cyclic torsion testing

    NASA Technical Reports Server (NTRS)

    Leese, G. E.

    1984-01-01

    Torsional fatigue testing and data analysis procedures are described. Since there are no standards governing cyclic torsion testing that are generally accepted on a widespread basis by the technical community, the different approaches that dominate current experimental activity, and the ramifications of each are discussed. Particular attention is given to the theoretical and experimental difficulties that have paced refinement and general acceptance of test procedures. Finally, specific quantities and nomenclature modelled after analagous axial fatigue properties are suggested as an effective way to communicate torsional fatigue results until accepted standards are established.

  18. Solid state {sup 1}H spin-lattice relaxation and isolated-molecule and cluster electronic structure calculations in organic molecular solids: The relationship between structure and methyl group and t-butyl group rotation

    SciTech Connect

    Wang, Xianlong E-mail: pbeckman@brynmawr.edu; Mallory, Frank B.; Mallory, Clelia W.; Odhner, Hosanna R.; Beckmann, Peter A. E-mail: pbeckman@brynmawr.edu

    2014-05-21

    We report ab initio density functional theory electronic structure calculations of rotational barriers for t-butyl groups and their constituent methyl groups both in the isolated molecules and in central molecules in clusters built from the X-ray structure in four t-butyl aromatic compounds. The X-ray structures have been reported previously. We also report and interpret the temperature dependence of the solid state {sup 1}H nuclear magnetic resonance spin-lattice relaxation rate at 8.50, 22.5, and 53.0 MHz in one of the four compounds. Such experiments for the other three have been reported previously. We compare the computed barriers for methyl group and t-butyl group rotation in a central target molecule in the cluster with the activation energies determined from fitting the {sup 1}H NMR spin-lattice relaxation data. We formulate a dynamical model for the superposition of t-butyl group rotation and the rotation of the t-butyl group's constituent methyl groups. The four compounds are 2,7-di-t-butylpyrene, 1,4-di-t-butylbenzene, 2,6-di-t-butylnaphthalene, and 3-t-butylchrysene. We comment on the unusual ground state orientation of the t-butyl groups in the crystal of the pyrene and we comment on the unusually high rotational barrier of these t-butyl groups.

  19. 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.

  20. Rotational Energy.

    ERIC Educational Resources Information Center

    Lockett, Keith

    1988-01-01

    Demonstrates several objects rolling down a slope to explain the energy transition among potential energy, translational kinetic energy, and rotational kinetic energy. Contains a problem from Galileo's rolling ball experiment. (YP)

  1. 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.

  2. Multinuclear magnetic resonance study on the structure and dynamics of lanthanide(III) complexes of cyclic DTPA derivatives in aqueous solution

    SciTech Connect

    Bovens, E.; Hoefnagel, M.A.; Boers, E.

    1996-12-18

    The lanthanide coordination of the macrocyclic ligands cy(DTPA-EN) and cy (DTPA-EN-DTPA-EN) was studied in aqueous solution. {sup 17}O NMR measurements on the Dy{sup III} complexes showed that, in both complexes, the first coordination sphere of the Ln{sup III} ion contains one water molecule, leaving eight coordination sites for the ligand molecule. {sup 89}Y and {sup 139}La NMR analysis confirmed that the coordination mode of cy(DTPA-EN-DTPA-EN) is similar to that of the acyclic DTPA-bis(amide) derivatives. However, as a result of the cyclic nature of the similar to that of the acyclic DTPA-bis(amide) derivatives. However, as a result of the cyclic nature of the ligands considered the number of isomers in solution is lower than for the acyclic compounds. From variable-temperature {sup 1}H and {sup 13}C NMR data, the authors conclude that, in the respective Ln{sup III} complexes in solution, the cy(DTPA-EN) ligand is present in two rapidly interconverting isomers, whereas the cy(DTPA-EN-DTPA-EN) ligand exists in four isomeric forms. Two types of exchange processes are observed for the cy(DTPA-EN-DTPA-EN) complexes; one is fast on the NMR time scale and does not require decoordination of the ligand, and the second is relatively slow and decoordination is necessary to realize the interconversion. The complexes of cy(DTPA-EN) and the lighter Ln{sup III} ions (Ln = La {yields} Eu) precipitated, probably due to the formation of binuclear complexes. Comparisons are made with the previously studied acyclic DTPA-bis (amides).

  3. Analysis of Rotational Structure in the High-Resolution Infrared Spectra of the TRANS-HEXATRIENE-1,1-D2 and -CIS-1-D1 Species

    NASA Astrophysics Data System (ADS)

    Craig, Norman C.; Fuson, Hannah A.; Tian, Hengfeng; Blake, Thomas A.

    2011-06-01

    Hexatriene-1,1-D2 with some admixture of the cis-1-D1 and trans-1-D1 species was synthesized by reaction of 2,4-pentadienal and (methyl-D3)-triphenylphosphonium iodide (Wittig reagent). The trans isomer was isolated by preparative gas chromatography, and the high-resolution (0.0015 Cm-1) infrared spectrum was recorded on a Bruker IFS 125HR instrument. The rotational structure in two C-type bands for the 1,1-D2 species was analyzed. For this species the bands at 902.043 and 721.864 Cm-1 yielded composite ground state rotational constants of A0 = 0.801882(1), B0 = 0.041850(2), and C0 = 0.039804(1) Cm-1. For the cis-1-D1 species the C-type band at 803.018 Cm-1 gave A0 = 0.809384(2), B0 = 0.043530(3), and C0 = 0.041321(2) Cm-1. By iodine-catalyzed isomerization, we have obtained some of the much less favored cis isomer and hope to obtain microwave spectra for its three deuterium-substituted species. The rotational constants reported here contribute to data needed for determining a semi-experimental structure for trans-hexatriene, which should show that the structural consequences of pi-electron delocalization increase with the chain length of polyenes.

  4. Rotational constants and structure of para-difluorobenzene determined by femtosecond Raman coherence spectroscopy: A new transient type

    NASA Astrophysics Data System (ADS)

    Den, Takuya; Frey, Hans-Martin; Felker, Peter M.; Leutwyler, Samuel

    2015-10-01

    Femtosecond Raman rotational coherence spectroscopy (RCS) detected by degenerate four-wave mixing is a background-free method that allows to determine accurate gas-phase rotational constants of non-polar molecules. Raman RCS has so far mostly been applied to the regular coherence patterns of symmetric-top molecules, while its application to nonpolar asymmetric tops has been hampered by the large number of RCS transient types, the resulting variability of the RCS patterns, and the 103-104 times larger computational effort to simulate and fit rotational Raman RCS transients. We present the rotational Raman RCS spectra of the nonpolar asymmetric top 1,4-difluorobenzene (para-difluorobenzene, p-DFB) measured in a pulsed Ar supersonic jet and in a gas cell over delay times up to ˜2.5 ns. p-DFB exhibits rotational Raman transitions with ΔJ = 0, 1, 2 and ΔK = 0, 2, leading to the observation of J -, K -, A -, and C-type transients, as well as a novel transient (S-type) that has not been characterized so far. The jet and gas cell RCS measurements were fully analyzed and yield the ground-state (v = 0) rotational constants A0 = 5637.68(20) MHz, B0 = 1428.23(37) MHz, and C0 = 1138.90(48) MHz (1σ uncertainties). Combining the A0, B0, and C0 constants with coupled-cluster with single-, double- and perturbatively corrected triple-excitation calculations using large basis sets allows to determine the semi-experimental equilibrium bond lengths re(C1-C2) = 1.3849(4) Å, re(C2-C3) = 1.3917(4) Å, re(C-F) = 1.3422(3) Å, and re(C2-H2) = 1.0791(5) Å.

  5. Rotational constants and structure of para-difluorobenzene determined by femtosecond Raman coherence spectroscopy: A new transient type.

    PubMed

    Den, Takuya; Frey, Hans-Martin; Felker, Peter M; Leutwyler, Samuel

    2015-10-14

    Femtosecond Raman rotational coherence spectroscopy (RCS) detected by degenerate four-wave mixing is a background-free method that allows to determine accurate gas-phase rotational constants of non-polar molecules. Raman RCS has so far mostly been applied to the regular coherence patterns of symmetric-top molecules, while its application to nonpolar asymmetric tops has been hampered by the large number of RCS transient types, the resulting variability of the RCS patterns, and the 10(3)-10(4) times larger computational effort to simulate and fit rotational Raman RCS transients. We present the rotational Raman RCS spectra of the nonpolar asymmetric top 1,4-difluorobenzene (para-difluorobenzene, p-DFB) measured in a pulsed Ar supersonic jet and in a gas cell over delay times up to ∼2.5 ns. p-DFB exhibits rotational Raman transitions with ΔJ = 0, 1, 2 and ΔK = 0, 2, leading to the observation of J -, K -, A -, and C-type transients, as well as a novel transient (S-type) that has not been characterized so far. The jet and gas cell RCS measurements were fully analyzed and yield the ground-state (v = 0) rotational constants A0 = 5637.68(20) MHz, B0 = 1428.23(37) MHz, and C0 = 1138.90(48) MHz (1σ uncertainties). Combining the A0, B0, and C0 constants with coupled-cluster with single-, double- and perturbatively corrected triple-excitation calculations using large basis sets allows to determine the semi-experimental equilibrium bond lengths re(C1-C2) = 1.3849(4) Å, re(C2-C3) = 1.3917(4) Å, re(C-F) = 1.3422(3) Å, and re(C2-H2) = 1.0791(5) Å.

  6. A model of rotationally-sampled wind turbulence for predicting fatigue loads in wind turbines

    NASA Technical Reports Server (NTRS)

    Spera, David A.

    1995-01-01

    Empirical equations are presented with which to model rotationally-sampled (R-S) turbulence for input to structural-dynamic computer codes and the calculation of wind turbine fatigue loads. These equations are derived from R-S turbulence data which were measured at the vertical-plane array in Clayton, New Mexico. For validation, the equations are applied to the calculation of cyclic flapwise blade loads for the NASA/DOE Mod-2 2.5-MW experimental HAWT's (horizontal-axis wind turbines), and the results compared to measured cyclic loads. Good correlation is achieved, indicating that the R-S turbulence model developed in this study contains the characteristics of the wind which produce many of the fatigue loads sustained by wind turbines. Empirical factors are included which permit the prediction of load levels at specified percentiles of occurrence, which is required for the generation of fatigue load spectra and the prediction of the fatigue lifetime of structures.

  7. Cyclic generalized projection MRI.

    PubMed

    Sarty, Gordon E

    2015-04-01

    Progress in the development of portable MRI hinges on the ability to use lightweight magnets that have non-uniform magnetic fields. An image encoding method and mathematical procedure for recovering the image from the NMR signal from non-uniform magnets with closed isomagnetic contours is given. Individual frequencies in an NMR signal from an object in a non-uniform magnetic field give rise to integrals of the object along contours of constant magnetic field: generalized projections. With closed isomagnetic field contours a simple, cyclic, direct reconstruction of the image from the generalized projections is possible when the magnet and RF transmit coil are held fixed relative to the imaged object while the RF receive coil moves. Numerical simulations, using the Shepp and Logan mathematical phantom, were completed to show that the mathematical method works and to illustrate numerical limitations. The method is numerically verified and exact reconstruction demonstrated for discrete mathematical image phantoms. Correct knowledge of the RF receive field is necessary or severe image distortions will result. The cyclic mathematical reconstruction method presented here will be useful for portable MRI schemes that use non-uniform magnets with closed isomagnetic contours along with mechanically or electronically moving the RF receive coils.

  8. [Asthma and cyclic neutropenia].

    PubMed

    Salazar Cabrera, A N; Berrón Pérez, R; Ortega Martell, J A; Onuma Takane, E

    1996-01-01

    We report a male with history of recurrent infections (recurrent oral aphtous disease [ROAD], middle ear infections and pharyngo amigdalitis) every 3 weeks since he was 7 months old. At the age of 3 years cyclic neutropenia was diagnosed with cyclic fall in the total neutrophil count in blood smear every 21 days and prophylactic antimicrobial therapy was indicated. Episodic events every 3 weeks of acute asthma and allergic rhinitis were detected at the age of 6 years old and specific immunotherapy to Bermuda grass was given during 3 years with markedly improvement in his allergic condition but not in the ROAD. He came back until the age of 16 with episodic acute asthma and ROAD. The total neutrophil count failed to 0 every 21 days and surprisingly the total eosinophil count increased up to 2,000 at the same time, with elevation of serum IgE (412 Ul/mL). Specific immunotherapy to D.pt. and Aller.a. and therapy with timomodulin was indicated. After 3 months we observed clinical improvement in the asthmatic condition and the ROAD disappeared, but the total neutrophil count did not improve. We present this case as a rare association between 2 diseases with probably no etiological relationship but may be physiopatological that could help to understand more the pathogenesis of asthma.

  9. Fiber-optic rotation of micro-scale structures enabled microfluidic actuation and self-scanning two-photon excitation

    NASA Astrophysics Data System (ADS)

    Black, Bryan J.; Luo, Dijun; Mohanty, Samarendra K.

    2012-11-01

    Here, we report non-restricted, controlled fiber optic rotation of micro-motor, in counter-propagating fiber-optic beams having transverse-offset, for actuation of microfluidic flow. Ray-optics based simulations of the torque (and angular velocity) were conducted for different fiber transverse-offsets in order to determine optimal geometry for effective actuation. Further, self-scanning two-photon excitation of the fiber-optically rotated microscopic object is achieved by use of an ultrafast laser beam in one of the fiber arm.

  10. Virtual screening using combinatorial cyclic peptide libraries reveals protein interfaces readily targetable by cyclic peptides.

    PubMed

    Duffy, Fergal J; O'Donovan, Darragh; Devocelle, Marc; Moran, Niamh; O'Connell, David J; Shields, Denis C

    2015-03-23

    Protein-protein and protein-peptide interactions are responsible for the vast majority of biological functions in vivo, but targeting these interactions with small molecules has historically been difficult. What is required are efficient combined computational and experimental screening methods to choose among a number of potential protein interfaces worthy of targeting lead macrocyclic compounds for further investigation. To achieve this, we have generated combinatorial 3D virtual libraries of short disulfide-bonded peptides and compared them to pharmacophore models of important protein-protein and protein-peptide structures, including short linear motifs (SLiMs), protein-binding peptides, and turn structures at protein-protein interfaces, built from 3D models available in the Protein Data Bank. We prepared a total of 372 reference pharmacophores, which were matched against 108,659 multiconformer cyclic peptides. After normalization to exclude nonspecific cyclic peptides, the top hits notably are enriched for mimetics of turn structures, including a turn at the interaction surface of human α thrombin, and also feature several protein-binding peptides. The top cyclic peptide hits also cover the critical "hot spot" interaction sites predicted from the interaction crystal structure. We have validated our method by testing cyclic peptides predicted to inhibit thrombin, a key protein in the blood coagulation pathway of important therapeutic interest, identifying a cyclic peptide inhibitor with lead-like activity. We conclude that protein interfaces most readily targetable by cyclic peptides and related macrocyclic drugs may be identified computationally among a set of candidate interfaces, accelerating the choice of interfaces against which lead compounds may be screened.

  11. Jet-cooled laser-induced fluorescence spectroscopy of cyclohexoxy: rotational and fine structure of molecules in nearly degenerate electronic States.

    PubMed

    Liu, Jinjun; Miller, Terry A

    2014-12-26

    The rotational structure of the previously observed B̃(2)A' ← X̃(2)A″ and B̃(2)A' ← Ã(2)A' laser-induced fluorescence spectra of jet-cooled cyclohexoxy radical (c-C6H11O) [ Zu, L.; Liu, J.; Tarczay, G.; Dupré, P; Miller, T. A. Jet-cooled laser spectroscopy of the cyclohexoxy radical. J. Chem. Phys. 2004 , 120 , 10579 ] has been analyzed and simulated using a spectroscopic model that includes the coupling between the nearly degenerate X̃ and à states separated by ΔE. The rotational and fine structure of these two states is reproduced by a 2-fold model using one set of molecular constants including rotational constants, spin-rotation constants (ε's), the Coriolis constant (Aζt), the quenched spin-orbit constant (aζed), and the vibronic energy separation between the two states (ΔE0). The energy level structure of both states can also be reproduced using an isolated-state asymmetric top model with rotational constants and effective spin-rotation constants (ε's) and without involving Coriolis and spin-orbit constants. However, the spin-orbit interaction introduces transitions that have no intensity using the isolated-state model but appear in the observed spectra. The line intensities are well simulated using the 2-fold model with an out-of-plane (b-) transition dipole moment for the B̃ ← X̃ transitions and in-plane (a and c) transition dipole moment for the B̃ ← à transitions, requiring the symmetry for the X̃ (Ã) state to be A″ (A'), which is consistent with a previous determination and opposite to that of isopropoxy, the smallest secondary alkoxy radical. The experimentally determined Ã-X̃ separation and the energy level ordering of these two states with different (A' and A″) symmetries are consistent with quantum chemical calculations. The 2-fold model also enables the independent determination of the two contributions to the Ã-X̃ separation: the relativistic spin-orbit interaction (magnetic effect) and the nonrelativistic

  12. Viscosity structure of Earth's mantle inferred from rotational variations due to GIA process and recent melting events

    NASA Astrophysics Data System (ADS)

    Nakada, Masao; Okuno, Jun'ichi; Lambeck, Kurt; Purcell, Anthony

    2015-08-01

    We examine the geodetically derived rotational variations for the rate of change of degree-two harmonics of Earth's geopotential, skew5dot J_2, and true polar wander, combining a recent melting model of glaciers and the Greenland and Antarctic ice sheets taken from the IPCC 2013 Report (AR5) with two representative GIA ice models describing the last deglaciation, ICE5G and the ANU model developed at the Australian National University. Geodetically derived observations of skew4dot J_2 are characterized by temporal changes of -(3.7 ± 0.1) × 10-11 yr-1 for the period 1976-1990 and -(0.3 ± 0.1) × 10-11 yr-1 after ˜2000. The AR5 results make it possible to evaluate the recent melting of the major ice sheets and glaciers for three periods, 1900-1990, 1991-2001 and after 2002. The observed skew4dot J_2 and the component of skew4dot J_2 due to recent melting for different periods indicate a long-term change in skew4dot J_2-attributed to the Earth's response to the last glacial cycle-of -(6.0-6.5) × 10-11 yr-1, significantly different from the values adopted to infer the viscosity structure of the mantle in most previous studies. This is a main conclusion of this study. We next compare this estimate with the values of skew4dot J_2 predicted by GIA ice models to infer the viscosity structure of the mantle, and consequently obtain two permissible solutions for the lower mantle viscosity (ηlm), ˜1022 and (5-10) × 1022 Pa s, for both adopted ice models. These two solutions are largely insensitive to the lithospheric thickness and upper mantle viscosity as indicated by previous studies and relatively insensitive to the viscosity structure of the D″ layer. The ESL contributions from the Antarctic ice sheet since the last glacial maximum (LGM) for ICE5G and ANU are about 20 and 30 m, respectively, but glaciological reconstructions of the Antarctic LGM ice sheet have suggested that its ESL contribution may have been less than ˜10 m. The GIA-induced skew4dot J_2 for GIA

  13. Development of low molecular weight CXCR4 antagonists by exploratory structural tuning of cyclic tetra- and pentapeptide-scaffolds towards the treatment of HIV infection, cancer metastasis and rheumatoid arthritis.

    PubMed

    Tamamura, Hirokazu; Tsutsumi, Hiroshi; Masuno, Hiroyuki; Fujii, Nobutaka

    2007-01-01

    The chemokine receptor, CXCR4, is a GPCR that transduces signals of its endogenous ligand, CXCL12 (stromal cell-derived factor-1, SDF-1). The CXCL12-CXCR4 system plays an important role in the migration of progenitors during embryologic development of the cardiovascular, hemopoietic, central nervous systems, etc. This system has recently been proven to be involved in several problematic diseases, including HIV infection, cancer cell metastasis, leukemia cell progression, rheumatoid arthritis (RA) and pulmonary fibrosis. Thus, CXCR4 is thought to be an important therapeutic target to overcome the above diseases. Fourteen-mer peptides, T140 and its analogs, were previously found to be specific CXCR4 antagonists that were characterized as HIV-entry inhibitors, anti-cancer-metastatic agents, anti-chronic lymphocytic/acute lymphoblastic leukemia agents and anti-RA agents. Based on our knowledge of pharmacophores of T140, CXCR4 antagonists, such as FC131, were previously found by the efficient utilization of cyclic pentapeptide libraries. This review article focuses on our recent research on the development of low molecular weight CXCR4 antagonists including FC131 analogs, in which structural tuning of the cyclic peptide ring and chemical modifications were performed for an increase in potency and a reduction of the peptide character.

  14. Synthesis of zigzag-chain and cyclic-octanuclear calcium complexes and hexanuclear bulky aryl-phosphate sodium complexes with ortho-amide groups: structural transformation involving a network of inter- and intramolecular hydrogen bonds.

    PubMed

    Onoda, Akira; Yamada, Yusuke; Okamura, Taka-aki; Doi, Mototsugu; Yamamoto, Hitoshi; Ueyama, Norikazu

    2002-02-13

    Three new polynuclear Ca(II)- and Na(I) phosphate complexes with two strategically oriented bulky amide groups, 2,6-(PhCONH)(2)C(6)H(3)OPO(3)H(2), were synthesized, including one with a zigzag-chain, [Ca(II)[O(3)POC(6)H(3)-2,6-(NHCOPh)(2)](H(2)O)(4)(EtOH)](n), a cyclic-octanuclear form, [Ca(II)(8)[O(3)POC(6)H(3)-2,6-(NHCOPh)(2)](8)(O=CHNMe(2))(8)(H(2)O)(12)], and a hexanuclear complex, (NHEt(3))[Na(3)[O(3)POC(6)H(3)-2,6-(NHCOPh)(2)](2)(H(2)O)(MeOH)(7)]. X-ray crystallography revealed that all have an unsymmetric ligand position due to the bulky amide groups. A dynamic transformation of the Ca(II) zigzag-chain structure to the cyclic-octanuclear complex was induced by changing coordination of DMF molecules, which caused a reorganization of the intermolecular/intramolecular hydrogen bond network.

  15. The rotational spectra, potential function, Born-Oppenheimer breakdown, and hyperfine structure of GeSe and GeTe

    NASA Astrophysics Data System (ADS)

    Giuliano, Barbara M.; Bizzocchi, Luca; Sanchez, Raquel; Villanueva, Pablo; Cortijo, Vanessa; Sanz, M. Eugenia; Grabow, Jens-Uwe

    2011-08-01

    The pure rotational spectra of 18 and 21 isotopic species of GeSe and GeTe have been measured in the frequency range 5-24 GHz using a Fabry-Pérot-type resonator pulsed-jet Fourier-transform microwave spectrometer. Gaseous samples of both chalcogenides were prepared by a combined dc discharge/laser ablation technique and stabilized in supersonic jets of Ne. Global multi-isotopologue analyses of the derived rotational data, together with literature high-resolution infrared data, produced very precise Dunham parameters, as well as rotational constant Born-Oppenheimer breakdown (BOB) coefficients (δ01) for Ge, Se, and Te. A direct fit of the same datasets to an appropriate radial Hamiltonian yielded analytic potential-energy functions and BOB radial functions for the X1Σ+ electronic state of both GeSe and GeTe. Additionally, the electric quadrupole and magnetic hyperfine interactions produced by the nuclei 73Ge, 77Se, and 125Te were observed, yielding much improved quadrupole coupling constants and first determinations of the spin-rotation parameters.

  16. Turbulent fluid-structure interaction of water-entry/exit of a rotating circular cylinder using SPH method

    NASA Astrophysics Data System (ADS)

    Ghazanfarian, Jafar; Saghatchi, Roozbeh; Gorji-Bandpy, Mofid

    2015-12-01

    This paper studies the two-dimensional (2D) water-entry and exit of a rotating circular cylinder using the Sub-Particle Scale (SPS) turbulence model of a Lagrangian particle-based Smoothed-Particle Hydrodynamics (SPH) method. The full Navier-Stokes (NS) equations along with the continuity have been solved as the governing equations of the problem. The accuracy of the numerical code is verified using the case of water-entry and exit of a nonrotating circular cylinder. The numerical simulations of water-entry and exit of the rotating circular cylinder are performed at Froude numbers of 2, 5, 8, and specific gravities of 0.25, 0.5, 0.75, 1, 1.75, rotating at the dimensionless rates of 0, 0.25, 0.5, 0.75. The effect of governing parameters and vortex shedding behind the cylinder on the trajectory curves, velocity components in the flow field, and the deformation of free surface for both cases have been investigated in detail. It is seen that the rotation has a great effect on the curvature of the trajectory path and velocity components in water-entry and exit cases due to the interaction of imposed lift and drag forces with the inertia force.

  17. The structure of the Hoyle state via a measurement of the 'Hoyle Rotational Band' in 12C

    NASA Astrophysics Data System (ADS)

    Gai, M.; UConn-Yale-TUNL-Weizmann-PTB-UCL Collaboration

    2013-04-01

    We have measured the 12C(γ, 3α) reaction with an Optical Time Projection Chamber (O-TPC) detector operating with the CO2(80%) + N2(20%) gas mixture and gamma-ray beams from the HIγS facility of the TUNL at Duke. We measured complete angular distributions (between 9.1 - 10.7 MeV) from which we determine the cross section yield curve and E1-E2 relative phases leading to an unambiguous identification of the second 2+ state in 12C at 10.03(11) MeV. The observed spectrum of 12C below 12 MeV including the 2+2 observed in this work resembles the rotation-vibration spectrum predicted for a triangular shape oblate spinning top in which the Hoyle state is the first vibrational breathing mode of the triangular three alpha particle system. The predicted rotation-vibration spectrum of a triangular shape oblate spinning top (with a D3h symmetry) allows us to compare the moment of inertia of the predicted Hoyle rotational band to the ground state rotational band and in this way extract the model radius parameter of the Hoyle state of 3.22(8) fm ( time the r.m.s. radius of the ground state) which is close to the radius extracted from 12C(x,x') data.

  18. Reversible cyclic peptide libraries for the discovery of affinity ligands.

    PubMed

    Menegatti, Stefano; Ward, Kevin Lawrence; Naik, Amith Dattatray; Kish, William Stanley; Blackburn, Robert Kevin; Carbonell, Ruben Guillermo

    2013-10-01

    A novel strategy is presented for the identification of cyclic peptide ligands from combinatorial libraries of reversible cyclic depsipeptides. A method for the solid-phase synthesis of individual cyclic depsipeptides and combinatorial libraries of these compounds is proposed, which employs lactic acid (Lact) and the dipeptide ester (Nα-Ac)-Ser(Ala)- as linkers for dilactonization. Upon alkaline treatment of the beads selected by screening a model library, the cyclic depsipeptides are linearized and released from the solid support to the liquid phase, to be sequenced via single-step tandem mass spectrometry (MS/MS). The protocol presented for library synthesis provides for wide structural diversity. Two model sequences, VVWVVK and AAWAAR, were chosen to present different structural examples for depsipeptide libraries and demonstrate the process of sequence determination by mass spectrometry. Further, a case study using the IgG binding cyclic depsipeptide cyclo[(Nα-Ac)-S(A)-RWHYFK-Lact-E] is presented to demonstrate the process of library screening and sequence determination on the selected beads. Finally, a method is shown for synthesis of the irreversible cyclic peptide corresponding to the proposed depsipeptide structure, to make the ligand stable to the aqueous acid and alkaline conditions encountered in affinity chromatographic applications. The cyclic peptide ligand was synthesized on a poly(methacrylate) resin and used for chromatographic binding of the target IgG.

  19. Advanced Developments in Cyclic Polymers: Synthesis, Applications, and Perspectives

    PubMed Central

    Zhu, Yinghuai; Hosmane, Narayan S

    2015-01-01

    Due to the topological effect, cyclic polymers demonstrate different and unique physical and biological properties in comparison with linear counterparts having the same molecular-weight range. With advanced synthetic and analytic technologies, cyclic polymers with different topologies, e.g. multicyclic polymers, have been reported and well characterized. For example, various cyclic DNA and related structures, such as cyclic duplexes, have been prepared conveniently by click chemistry. These types of DNA have increased resistance to enzymatic degradation and have high thermodynamic stability, and thus, have potential therapeutic applications. In addition, cyclic polymers have also been used to prepare organic–inorganic hybrids for applications in catalysis, e.g. catalyst supports. Due to developments in synthetic technology, highly pure cyclic polymers could now be produced in large scale. Therefore, we anticipate discovering more applications in the near future. Despite their promise, cyclic polymers are still less explored than linear polymers like polyolefins and polycarbonates, which are widely used in daily life. Some critical issues, including controlling the molecular weight and finding suitable applications, remain big challenges in the cyclic-polymer field. This review briefly summarizes the commonly used synthetic methodologies and focuses more on the attractive functional materials and their biological properties and potential applications. PMID:26478835

  20. Triaxial-band structures, chirality, and magnetic rotation in La133

    SciTech Connect

    Petrache, C. M.; Guo, S.; Ayangeakaa, A. D.; Garg, U.; Matta, J. T.; Nayak, B. K.; Patel, D.; Meng, J.; Carpenter, M. P.; Chiara, C. J.; Janssens, R. V. F.; Kondev, F. G.; Lauritsen, T.; Seweryniak, D.; Zhu, S.; Ghugre, S. S.; Palit, R.

    2016-12-05

    The structure of 133La has been investigated using the 116Cd(22Ne,4pn) reaction and the Gammasphere array. Three new bands of quadrupole transitions and one band of dipole transitions are identified and the previously reported level scheme is revised and extended to higher spins. The observed structures are discussed using the cranked Nilsson-Strutinsky formalism, covariant density functional theory, and the particle-rotor model. Triaxial configurations are assigned to all observed bands. For the high-spin bands it is found that rotations around different axes can occur, depending on the configuration. The orientation of the angular momenta of the core and of the active particles is investigated, suggesting chiral rotation for two nearly degenerate dipole bands and magnetic rotation for one dipole band. As a result, it is shown that the h11/2 neutron holes present in the configuration of the nearly degenerate dipole bands have significant angular momentum components not only along the long axis but also along the short axis, contributing to the balance of the angular momentum components along the short and long axes and thus giving rise to a chiral geometry.

  1. Analysis of the rotational structure in the high-resolution infrared spectra of trans-hexatriene-1,1-d2 and -cis-1-d1

    NASA Astrophysics Data System (ADS)

    Craig, Norman C.; Fuson, Hannah A.; Tian, Hengfeng; Blake, Thomas A.

    2012-09-01

    Mixtures of trans-hexatriene-1,1-d2, -cis-1-d1, and -trans-1-d1 have been synthesized. Anharmonic frequencies and harmonic intensities were predicted with the B3LYP/cc-pVTZ model for the out-of-plane (a″) modes of the three isotopologues. Assignments are proposed for most of the a″ vibrational modes above 500 cm-1. Ground state (GS) rotational constants have been determined for the 1,1-d2 and cis-1-d1 species from the analysis of rotational structure of C-type bands in the high-resolution (0.0015 cm-1) infrared spectra in a mixture of the three isotopologues. The GS constants for the 1,1-d2 species are A0 = 0.8018850(6), B0 = 0.0418540(6), and C0 = 0.0397997(4) cm-1. The GS constants for the cis-1-d1 species are A0 = 0.809388(1), B0 = 0.043532(2), and C0 = 0.041320(1) cm-1. Small inertial defects confirm planarity for both species. These ground state rotational constants are intended for use in determining a semiexperimental equilibrium structure and evaluating the influence of chain length on π-electron delocalization in polyenes.

  2. LOOKING DEEP INTO THE CAT'S EYE: STRUCTURE AND ROTATION IN THE FAST WIND OF THE PN CENTRAL STAR OF NGC 6543

    SciTech Connect

    Prinja, R. K.; Massa, D. L.; Cantiello, M.

    2012-11-10

    We present HST/STIS time-series spectroscopy of the central star of the 'Cat's Eye' planetary nebula NGC 6543. Intensive monitoring of the UV lines over a 5.8 hr period reveals well-defined details of large-scale structure in the fast wind, which are exploited to provide new constraints on the rotation rate of the central star. We derive characteristics of the line profile variability that support a physical origin due to corotating interaction regions (CIRs) that are rooted at the stellar surface. The recurrence time of the observed spectral signatures of the CIRs is used to estimate the rotation period of the central star and, adopting a radius between 0.3 and 0.6 R{sub Sun} constrains the rotational velocity to the range 54 km s{sup -1} {<=} v{sub rot} {<=} 108 km s{sup -1}. The implications of these results for single star evolution are discussed based on models calculated here for low-mass stars. Our models predict a subsurface convective layer in NGC 6543 which we argue to be causally connected to the occurrence of structure in the fast wind.

  3. Influence of the organized structure of 1-alkyl-3-methylimidazolium-based ionic liquids on the rotational diffusion of an ionic solute.

    PubMed

    Gangamallaiah, V; Dutt, G B

    2013-08-29

    To understand the influence of organized structure of the ionic liquids on the rotational diffusion of a hydrogen bond donating ionic solute, reorientation times (τr) of rhodamine 110 (R110) have been measured in 1-alkyl-3-methylimidazolium ([Rmim+]) based ionic liquids with anions tetrafluoroborate ([BF4-]) and hexafluorophosphate ([PF6-]). The viscosity (η) was varied by changing the temperature (T) and also the alkyl chain length on the imidazolium cation (ethyl, butyl, hexyl, and octyl). It has been noticed that τr versus η/T plots contain two slopes corresponding to lower and higher values of η/T for ionic liquids with [BF4-] as well as [PF6-] anions. For lower values of η/T (<0.2 and <0.3 mPa s K(-1), respectively, for [Rmim+][BF4-] and [Rmim+][PF6-]), rotational diffusion of R110 follows Stokes-Einstein-Debye hydrodynamic theory with stick boundary condition due to specific interactions between the solute and the anions of the ionic liquids. In contrast, at higher η/T, the rotational diffusion of the solute is faster than the stick predictions and this trend could not be explained by the quasihydrodynamic theories of Gierer-Wirtz and Dote-Kivelson-Schwartz as well. Diminishing hydrogen bonding interactions between the solute and the anions, which transpire as a consequence of the organized structure of the ionic liquids, are responsible for the observed behavior.

  4. Cosmic perturbations through the cyclic ages

    SciTech Connect

    Erickson, Joel K.; Gratton, Steven; Steinhardt, Paul J.; Turok, Neil

    2007-06-15

    We analyze the evolution of cosmological perturbations in the cyclic model, paying particular attention to their behavior and interplay over multiple cycles. Our key results are: (1) galaxies and large scale structure present in one cycle are generated by the quantum fluctuations in the preceding cycle without interference from perturbations or structure generated in earlier cycles and without interfering with structure generated in later cycles; (2) the ekpyrotic phase, an epoch of gentle contraction with equation of state w>>1 preceding the hot big bang, makes the universe homogeneous, isotropic and flat within any given observer's horizon; and (3) although the universe is uniform within each observer's horizon, the structure of the cyclic universe on very large scales is more complex, owing to the effects of superhorizon length perturbations, and cannot be described globally as a Friedmann-Robertson-Walker cosmology. In particular, we show that the ekpyrotic contraction phase is so effective in smoothing, flattening and isotropizing the universe within the horizon that this phase alone suffices to solve the horizon and flatness problems even without an extended period of dark energy domination (a kind of low energy inflation). Instead, the cyclic model rests on a genuinely novel, noninflationary mechanism (ekpyrotic contraction) for resolving the classic cosmological conundrums.

  5. The Centrifugally Induced Pure Rotational Spectrum and the Structure of Sulfur Trioxide. A Microwave Fourier Transform Study of a Nonpolar Molecule

    NASA Astrophysics Data System (ADS)

    Meyer, Volker; Sutter, Dieter Hermann; Dreizler, Helmut

    1991-08-01

    The pure rotational spectrum of sulfur trioxide has been observed for the first time. A total of 25 high-J transitions could be assigned. The rotational constants, two quartic centrifugal distortion constants, and three sextic centrifugal distortion constants were determined as: B= 10 449.0667(23) MHz, C = 5216.0330(12) MHz, DJ = 9.2651 (18) kHz, DJK = -16.3922(18) kHz, HJ, = -8.8(34) • 10-3 Hz, HJK= -15.8(73) • 10-3 Hz, and HKJ = 34.2(73) • 10-3 Hz. An r0- and an re -structure are presented: r0= 1.4198(7) Å (calculated from B), r0 = 1.4210(7) Å (calculated from C), and re = 1.4175 Å

  6. Earth Rotation

    NASA Technical Reports Server (NTRS)

    Dickey, Jean O.

    1995-01-01

    The study of the Earth's rotation in space (encompassing Universal Time (UT1), length of day, polar motion, and the phenomena of precession and nutation) addresses the complex nature of Earth orientation changes, the mechanisms of excitation of these changes and their geophysical implications in a broad variety of areas. In the absence of internal sources of energy or interactions with astronomical objects, the Earth would move as a rigid body with its various parts (the crust, mantle, inner and outer cores, atmosphere and oceans) rotating together at a constant fixed rate. In reality, the world is considerably more complicated, as is schematically illustrated. The rotation rate of the Earth's crust is not constant, but exhibits complicated fluctuations in speed amounting to several parts in 10(exp 8) [corresponding to a variation of several milliseconds (ms) in the Length Of the Day (LOD) and about one part in 10(exp 6) in the orientation of the rotation axis relative to the solid Earth's axis of figure (polar motion). These changes occur over a broad spectrum of time scales, ranging from hours to centuries and longer, reflecting the fact that they are produced by a wide variety of geophysical and astronomical processes. Geodetic observations of Earth rotation changes thus provide insights into the geophysical processes illustrated, which are often difficult to obtain by other means. In addition, these measurements are required for engineering purposes. Theoretical studies of Earth rotation variations are based on the application of Euler's dynamical equations to the problem of finding the response of slightly deformable solid Earth to variety of surface and internal stresses.

  7. The structure and function of quinones in biological solar energy transduction: a cyclic voltammetry, EPR, and hyperfine sub-level correlation (HYSCORE) spectroscopy study of model naphthoquinones.

    PubMed

    Coates, Christopher S; Ziegler, Jessica; Manz, Katherine; Good, Jacob; Kang, Bernard; Milikisiyants, Sergey; Chatterjee, Ruchira; Hao, Sijie; Golbeck, John H; Lakshmi, K V

    2013-06-20

    Quinones function as electron transport cofactors in photosynthesis and cellular respiration. The versatility and functional diversity of quinones is primarily due to the diverse midpoint potentials that are tuned by the substituent effects and interactions with surrounding amino acid residues in the binding site in the protein. In the present study, a library of substituted 1,4-naphthoquinones are analyzed by cyclic voltammetry in both protic and aprotic solvents to determine effects of substituent groups and hydrogen bonds on the midpoint potential. We use continuous-wave electron paramagnetic resonance (EPR) spectroscopy to determine the influence of substituent groups on the electronic properties of the 1,4-naphthoquinone models in an aprotic solvent. The results establish a correlation between the presence of substituent group(s) and the modification of electronic properties and a corresponding shift in the midpoint potential of the naphthoquinone models. Further, we use pulsed EPR spectroscopy to determine the effect of substituent groups on the strength and planarity of the hydrogen bonds of naphthoquinone models in a protic solvent. This study provides support for the tuning of the electronic properties of quinone cofactors by the influence of substituent groups and hydrogen bonding interactions.

  8. Structural characteristics and spectral behaviours of the preferred conformation of a cyclic pentapeptide, cycloaspeptide G from Cordyceps-colonising fungus Isoria farinose

    NASA Astrophysics Data System (ADS)

    Mang, Chao-Yong; Zhao, Yu; Li, Hai-Feng; Lan, Hai; Yan, Ya; Yang, Ming-Hui

    2015-01-01

    The density functional theory (DFT) is exploited to search the stable conformations of a cyclic pentapeptide called cycloaspeptide G from Cordyceps-colonising fungus Isoria farinose. Its time-dependent version is employed to describe the profiles of electronic circular dichroism (ECD) of the preferred conformation, where the solvent effect in methanol is taken into account on the basis of the polarisable continuum model computation. Four stable conformers are optimised, and the results of the harmonically vibrational frequency calculations illustrate that they are the true minima. In the vibrational CD spectrum at the B3LYP/6-31G* level, the negative peak at 3334 cm-1 has its origin of the NH stretches of the peptide ring. In the ECD spectrum at the B3LYP/6-31G* level, three strong bands are negative, positive, and negative. Since the ECD spectrum at the B3LYP/6-31G* level is remarkably different from that at the B3LYP/6-31G level, it is necessary for the expended functions to be added to the 6-31G basis set.

  9. Self-consistent internal structure of a rotating gaseous planet and its comparison with an approximation by oblate spheroidal equidensity surfaces

    NASA Astrophysics Data System (ADS)

    Kong, Dali; Zhang, Keke; Schubert, Gerald

    2015-12-01

    In an important paper, Roberts (1963b) studied the hydrostatic equilibrium of an isolated, self-gravitating, rapidly rotating polytropic gaseous body based on a controversial assumption/approximation that all (outer and internal) equidensity surfaces are in the shape of oblate spheroids whose eccentricities are a function of the equatorial radius and whose axes of symmetry are parallel to the rotation axis. We compute the three-dimensional, finite-element, fully self-consistent, continuous solution for a rapidly rotating polytropic gaseous body with Jupiter-like parameters without making any prior assumptions about its outer shape and internal structure. Upon partially relaxing the Roberts' approximation by assuming that only the outer equidensity surface is in the shape of an oblate spheroid, we also compute a finite-element solution with the same parameters without making any prior assumptions about its internal structure. It is found that all equidensity surfaces of the fully self-consistent solution differ only slightly from the oblate spheroidal shape. It is also found that the characteristic difference between the fully self-consistent solution and the outer-spheroidal-shape solution is insignificantly small. Our results suggest that the Roberts' assumption of spheroidal equidensity surfaces represents a reasonably accurate approximation for rotating polytropic gaseous bodies with Jupiter-like parameters. The numerical accuracy of our finite-element solution is checked by an exact analytic solution based on the Green's function using the spheroidal wave function. The three different solutions in non-spherical geometries - the fully self-consistent numerical solution, the numerical solution with the outer spheroidal shape and the exact analytical solution - can also serve as a useful benchmark for other solutions based on different numerical methods.

  10. Generation and Characterization of Monoclonal Antibodies against a Cyclic Variant of Hepatitis C Virus E2 Epitope 412-422

    PubMed Central

    Sandomenico, Annamaria; Leonardi, Antonio; Berisio, Rita; Sanguigno, Luca; Focà, Giuseppina; Focà, Annalia; Ruggiero, Alessia; Doti, Nunzianna; Muscariello, Livio; Barone, Daniela; Farina, Claudio; Owsianka, Ania; Vitagliano, Luigi

    2016-01-01

    ABSTRACT The hepatitis C virus (HCV) E2 envelope glycoprotein is crucial for virus entry into hepatocytes. A conserved region of E2 encompassing amino acids 412 to 423 (epitope I) and containing Trp420, a residue critical for virus entry, is recognized by several broadly neutralizing antibodies. Peptides embodying this epitope I sequence adopt a β-hairpin conformation when bound to neutralizing monoclonal antibodies (MAbs) AP33 and HCV1. We therefore generated new mouse MAbs that were able to bind to a cyclic peptide containing E2 residues 412 to 422 (C-epitope I) but not to the linear counterpart. These MAbs bound to purified E2 with affinities of about 50 nM, but they were unable to neutralize virus infection. Structural analysis of the complex between C-epitope I and one of our MAbs (C2) showed that the Trp420 side chain is largely buried in the combining site and that the Asn417 side chain, which is glycosylated in E2 and solvent exposed in other complexes, is slightly buried upon C2 binding. Also, the orientation of the cyclic peptide in the antibody-combining site is rotated by 180° compared to the orientations of the other complexes. All these structural features, however, do not explain the lack of neutralization activity. This is instead ascribed to the high degree of selectivity of the new MAbs for the cyclic epitope and to their inability to interact with the epitope in more flexible and extended conformations, which recent data suggest play a role in the mechanisms of neutralization escape. IMPORTANCE Hepatitis C virus (HCV) remains a major health care burden, affecting almost 3% of the global population. The conserved epitope comprising residues 412 to 423 of the viral E2 glycoprotein is a valid vaccine candidate because antibodies recognizing this region exhibit potent neutralizing activity. This epitope adopts a β-hairpin conformation when bound to neutralizing MAbs. We explored the potential of cyclic peptides mimicking this structure to elicit

  11. Non-intrusive detection of rotating stall in pump-turbines

    NASA Astrophysics Data System (ADS)

    Botero, F.; Hasmatuchi, V.; Roth, S.; Farhat, M.

    2014-10-01

    When operated far from their optimum conditions, pump-turbines may exhibit strong hydrodynamic instabilities, often called rotating stall, which lead to substantial increase of vibration and risk of mechanical failure. In the present study, we have investigated the flow filed in a model of radial pump-turbine with the help of tuft visualization, wall pressure measurement and structure-borne noise monitoring. As the rotation speed is increased, the machine is brought from its optimum operation to runaway with zero torque on the shaft. The runaway operation is characterized by a significant increase of pressure fluctuation at the rotor-stator interaction frequency. As the speed is further increased, the flow exhibits sub-synchronous instability, which rotates at 70% of the rotation frequency. Tuft visualization clearly shows that, as the instability evolves, the flow in a given distributor channel suddenly stalls and switches to reverse pumping mode in periodic way. We have also investigated the monitoring of the rotating stall with the help of vibration signals. A specific signal processing method, based on amplitude demodulation, was developed. The use of 2 accelerometers allows for the identification of the optimum carrier frequency by computing the cyclic coherence of vibration signals. This non-intrusive method is proved to be efficient in detecting the rotating stall instability and the number of stall cells. We strongly believe that it could be implemented in full scale pump-turbines.

  12. Boscovich force in spherical coordinates: some gravitational implications for deflection of light, Trojan orbits, Titius-Bode structures, ring structures and flat rotation rate of galaxies

    NASA Astrophysics Data System (ADS)

    Munera, Hector A.

    2015-08-01

    From philosophical considerations, Boscovich proposed around 1760 a unified force of nature. Boscovich’s force turns out to be a particular case of the novel solutions for the homogeneous wave equation in spherical coordinates found by the present author in the 1990s [Found. Phys. Lett. 10, 31-41 (1997)]. As noted by J. J. Thomson before Bohr’s quantum theory, Boscovich’s force exhibits quantization in energy and distance.For each quantum number, our non-harmonic functions of the first kind (NHF-1k) predict the existence of a discrete number of spherical surfaces in dynamical equilibrium (SSDE), leading to both Titius-Bode and ring structures. Predictions agree with observed Titius-Bode patterns in our planetary system, and in the moons of Mars, Jupiter, Uranus, Saturn, and Neptune. At distances beyond the quantum structure associated with SSDEs, for even NHF-1ks the force becomes Newton’s inverse-square law; however, odd NHF-1ks exhibit a non-zero limit as distance tends to infinity, which immediately explains the flat rotation rate of spiral galaxies without additional asumptions as dark matter or MOND models. The SSDEs provide the physical counterpart to the mathematical spheres that appear in the recent solution of the three-body problem and the orbits of Trojan moons [Suvakov & Dmitrasinovic, Phys. Rev. Lett. 110, 114301 (2013)]. The inner-most SSDE is a photon-sphere, but inside it there is a monotonously increasing repulsion, thus acting as a “white” hole; this could be relevant in the context of the contradictory appearance of a black and a white hole in the creation of black holes in the laboratory [Leonhard & Philbin ArXiv:0803.0669 5 March 2008]. Deflection of light does not occur at the SSDEs but at intermediate locations where gravitational attraction reaches a maximum. Calculation of deflection involves three non-Newtonian aspects: the force is not exactly Newton’s, the distance is larger than the radius of the physical surface, and

  13. Cyclic plasticity models and application in fatigue analysis

    NASA Technical Reports Server (NTRS)

    Kalev, I.

    1981-01-01

    An analytical procedure for prediction of the cyclic plasticity effects on both the structural fatigue life to crack initiation and the rate of crack growth is presented. The crack initiation criterion is based on the Coffin-Manson formulae extended for multiaxial stress state and for inclusion of the mean stress effect. This criterion is also applied for the accumulated damage ahead of the existing crack tip which is assumed to be related to the crack growth rate. Three cyclic plasticity models, based on the concept of combination of several yield surfaces, are employed for computing the crack growth rate of a crack plane stress panel under several cyclic loading conditions.

  14. Discovery of Infalling Motion with Rotation of the Cluster-forming Clump S235AB and Its Implication to the Clump Structures

    NASA Astrophysics Data System (ADS)

    Shimoikura, Tomomi; Dobashi, Kazuhito; Matsumoto, Tomoaki; Nakamura, Fumitaka

    2016-12-01

    We report the discovery of infalling motion with the rotation of S235AB, a massive cluster-forming clump (˜ 1× {10}3 {M}⊙ ) in the S235 region. Our C18O observations with the 45 m telescope at the Nobeyama Radio Observatory have revealed an elliptical shape of the clump. A position-velocity diagram taken along its major axis exhibits two well-defined peaks symmetrically located, with respect to the clump center. This is similar to that found for a dynamically infalling envelope with rotation around a single protostar, modeled by N. Ohashi et al., indicating that the cluster-forming clump is also collapsing by the self-gravity toward the clump center. With analogue to Ohashi et al.'s model, we made a simple model of an infalling, rotating clump to fit the observed data. Based on the inferred model parameters, as well as results of earlier observations and simulations in the literature, we discuss the structures of the clump such as the relation among the global mass infall rate (˜ 1× {10}-3 {M}⊙ yr-1), formation of a compact core (with a mass and size of ˜4 {M}⊙ and ≲ 0.1 pc) at the center, and a massive star (˜11 {M}⊙ ) forming in the core.

  15. The rotational spectrum and dynamical structure of LiOH and LiOD: a combined laboratory and ab initio study.

    PubMed

    Higgins, Kelly J; Freund, Samuel M; Klemperer, William; Apponi, Aldo J; Ziurys, Lucy M

    2004-12-15

    Millimeter wave rotational spectroscopy and ab initio calculations are used to explore the potential energy surface of LiOH and LiOD with particular emphasis on the bending states and bending potential. New measurements extend the observed rotational lines to J=7<--6 for LiOH and J=8<--7 for LiOD for all bending vibrational states up to (03(3)0). Rotation-vibration energy levels, geometric expectation values, and dipole moments are calculated using extensive high-level ab initio three-dimensional potential energy and dipole moment surfaces. Agreement between calculation and experiment is superb, with predicted Bv values typically within 0.3%, D values within 0.2%, ql values within 0.7%, and dipole moments within 0.9% of experiment. Shifts in Bv values with vibration and isotopic substitution are also well predicted. A combined theoretical and experimental structural analysis establishes the linear equilibrium structure with re(Li-O)=1.5776(4) A and re(O-H)=0.949(2) A. Predicted fundamental vibrational frequencies are v1=923.2, v2=318.3, and v3=3829.8 cm(-1) for LiOH and v1=912.9, v2=245.8, and v3=2824.2 cm(-1) for LiOD. The molecule is extremely nonrigid with respect to angular deformation; the calculated deviation from linearity for the vibrationally averaged structure is 19.0 degrees in the (000) state and 41.9 degrees in the (03(3)0) state. The calculation not only predicts, in agreement with previous work [P. R. Bunker, P. Jensen, A. Karpfen, and H. Lischka, J. Mol. Spectrosc. 135, 89 (1989)], a change from a linear to a bent minimum energy configuration at elongated Li-O distances, but also a similar change from linear to bent at elongated O-H distances.

  16. Cyclic AMP in prokaryotes.

    PubMed Central

    Botsford, J L; Harman, J G

    1992-01-01

    Cyclic AMP (cAMP) is found in a variety of prokaryotes including both eubacteria and archaebacteria. cAMP plays a role in regulating gene expression, not only for the classic inducible catabolic operons, but also for other categories. In the enteric coliforms, the effects of cAMP on gene expression are mediated through its interaction with and allosteric modification of a cAMP-binding protein (CRP). The CRP-cAMP complex subsequently binds specific DNA sequences and either activates or inhibits transcription depending upon the positioning of the complex relative to the promoter. Enteric coliforms have provided a model to explore the mechanisms involved in controlling adenylate cyclase activity, in regulating adenylate cyclase synthesis, and in performing detailed examinations of CRP-cAMP complex-regulated gene expression. This review summarizes recent work focused on elucidating the molecular mechanisms of CRP-cAMP complex-mediated processes. For other bacteria, less detail is known. cAMP has been implicated in regulating antibiotic production, phototrophic growth, and pathogenesis. A role for cAMP has been suggested in nitrogen fixation. Often the only data that support cAMP involvement in these processes includes cAMP measurement, detection of the enzymes involved in cAMP metabolism, or observed effects of high concentrations of the nucleotide on cell growth. PMID:1315922

  17. Observation of the Cyclic Water Hexamer in Solid Parahydrogen

    DTIC Science & Technology

    2007-11-02

    of-the cyclic -water hexamer, "cyc-(HO)&" expect minimal perturbations t6 the dopant’s structure and via its intfrared (IR) absorption in liquid helium ...red by = 15 cmf𔃻 from the absorptions of cyclic water clusters in liquid ihelium drolets [P. Nauta and R.E. Miller, Science 287, 293 (2600)]; this...dynamics, and hydrogen -bond (H-bond) interactions with. in- the resulting absence of permanent electric multipoles contrib- creasingg cluster size; one

  18. Isocyanide-based multicomponent reactions towards cyclic constrained peptidomimetics

    PubMed Central

    Koopmanschap, Gijs; Ruijter, Eelco

    2014-01-01

    Summary In the recent past, the design and synthesis of peptide mimics (peptidomimetics) has received much attention. This because they have shown in many cases enhanced pharmacological properties over their natural peptide analogues. In particular, the incorporation of cyclic constructs into peptides is of high interest as they reduce the flexibility of the peptide enhancing often affinity for a certain receptor. Moreover, these cyclic mimics force the molecule into a well-defined secondary structure. Constraint structural and conformational features are often found in biological active peptides. For the synthesis of cyclic constrained peptidomimetics usually a sequence of multiple reactions has been applied, which makes it difficult to easily introduce structural diversity necessary for fine tuning the biological activity. A promising approach to tackle this problem is the use of multicomponent reactions (MCRs), because they can introduce both structural diversity and molecular complexity in only one step. Among the MCRs, the isocyanide-based multicomponent reactions (IMCRs) are most relevant for the synthesis of peptidomimetics because they provide peptide-like products. However, these IMCRs usually give linear products and in order to obtain cyclic constrained peptidomimetics, the acyclic products have to be cyclized via additional cyclization strategies. This is possible via incorporation of bifunctional substrates into the initial IMCR. Examples of such bifunctional groups are N-protected amino acids, convertible isocyanides or MCR-components that bear an additional alkene, alkyne or azide moiety and can be cyclized via either a deprotection–cyclization strategy, a ring-closing metathesis, a 1,3-dipolar cycloaddition or even via a sequence of multiple multicomponent reactions. The sequential IMCR-cyclization reactions can afford small cyclic peptide mimics (ranging from four- to seven-membered rings), medium-sized cyclic constructs or peptidic macrocycles

  19. Deformation of rotational structures in {sup 73}Kr and {sup 74}Rb: Probing the additivity principle at triaxial shapes

    SciTech Connect

    Johnston-Theasby, F.; Jenkins, D. G.; Joshi, P.; Wadsworth, R.; Afanasjev, A. V.; Andreoiu, C.; Svensson, C. E.; Austin, R. A. E.; Carpenter, M. P.; Greene, J.; Moore, F.; Mukherjee, G.; Seweryniak, D.; Dashdorj, D.; Freeman, S. J.; Garrett, P. E.; Goergen, A.; Reviol, W.

    2008-09-15

    Lifetimes have been deduced in the intermediate/high-spin range for the three known rotational bands in {sup 73}Kr and the T=0 band in {sup 74}Rb using the residual Doppler shift method. This has enabled relative transition quadrupole moments to be studied for the first time in triaxial nuclei as a function of spin. The data suggest that the additivity principle for transition quadrupole moments is violated, a result that is in disagreement with predictions from cranked Nilsson-Strutinsky and cranked relativistic mean-field theory calculations. The reasons for the discrepancy are not understood but may indicate that important correlations are missing from the models.

  20. CONDENSED MATTER: STRUCTURE, THERMAL AND MECHANICAL PROPERTIES: Rotational viscosity of a liquid crystal mixture: a fully atomistic molecular dynamics study

    NASA Astrophysics Data System (ADS)

    Zhang, Ran; Peng, Zeng-Hui; Liu, Yong-Gang; Zheng, Zhi-Gang; Xuan, Li

    2009-10-01

    Fully atomistic molecular dynamics (MD) simulations at 293, 303 and 313 K have been performed for the four-component liquid crystal mixture, E7, using the software package Material Studio. Order parameters and orientational time correlation functions (TCFs) were calculated from MD trajectories. The rotational viscosity coefficients (RVCs) of the mixture were calculated using the Nemtsov-Zakharov and Fialkowski methods based on statistical-mechanical approaches. Temperature dependences of RVC and density were discussed in detail. Reasonable agreement between the simulated and experimental values was found.

  1. Variable Polarization from Co-Rotating Interaction Regions in Massive Star Winds

    NASA Astrophysics Data System (ADS)

    Ignace, Richard; St. Louis, Nicole; Tremblay, Patrick; Proulx-Giraldeau, Felix

    2017-01-01

    Co-rotating Interaction Regions (CIRs) are a well-known phenomenon in the solar wind, and is a favored culprit for certain cyclical behavior observed in the spectra of some massive stars. A prime example are the discrete absorption components (DACs) seen in the UV wind lines of many O stars. Here we report on modeling for the variable continuum polarization that could arise from the presence of CIR structures. Considerations are limited to optically thin scattering. Using a core-halo approach for winds that are thick to electron scattering, an application to observed variable polarization of WR6 (EZ CMa; HD 50896) is presented.

  2. Cyclic Vomiting Syndrome: An Update Illustrated by a Case Report

    PubMed Central

    Hermus, Ingeborg P. M.; Willems, Stacey J. B.; Bogman, Aimée C. C. F.; Janssen, Paddy K. C.; Brabers, Leonie; Schieveld, Jan N. M.

    2016-01-01

    Objective: This article presents an update on cyclic vomiting syndrome, a potentially exhausting disorder that can occur in children, adolescents, and adults and and has a huge impact on the quality of life. A structured literature search was conducted to explore the current knowledge about antipsychotics in the treatment of cyclic vomiting syndrome. A case report is presented of a 15-year-old boy with refractory cyclic vomiting syndrome (ICD-10 criteria), who finally responded to a unique combination of risperidone and amitriptyline. Data Sources: A literature search of English articles was performed in November 2015 using PubMed and the Cochrane Library with cyclic vomiting syndrome, cyclic vomiting, risperidone, and antipsychotics as key words. All types of publications were included. The publication period covered a span from 1976 to 2014. Study Selection and Data Extraction: In total, 13 articles were found. After screening the title and abstract, only 2 were selected. Results: In the current literature, only the use of chlorpromazine in the treatment of cyclic vomiting syndrome is mentioned. The possible underlying working mechanism of chlorpromazine is not clarified. Conclusions: Antipsychotics are hardly mentioned in the literature with regard to their antiemetic properties. Antipsychotics like risperidone, and its unique combination with amitriptyline, might be an important alternative to achieve a satisfactory treatment result in refractory cases of cyclic vomiting syndrome. PMID:27733950

  3. Multi-technique x-ray and optical characterization of crystalline phase, texture, and electronic structure of atomic layer deposited Hf1-xZrxO2 gate dielectrics deposited by a cyclical deposition and annealing scheme

    NASA Astrophysics Data System (ADS)

    Vasić, Relja; Consiglio, Steven; Clark, Robert D.; Tapily, Kandabara; Sallis, Shawn; Chen, Bo; Newby, David; Medikonda, Manasa; Raja Muthinti, Gangadhara; Bersch, Eric; Jordan-Sweet, Jean; Lavoie, Christian; Leusink, Gert J.; Diebold, Alain C.

    2013-06-01

    A multi-technique approach was used to determine the crystalline phase, texture, and electronic structure of Hf1-xZrxO2 (x = 0-1) high-k gate dielectric thin films grown by atomic layer deposition using a cyclical deposition and annealing method. X-ray diffraction (XRD) analysis performed in both grazing incidence and pole figure configurations identified the tetragonal phase for Zr/(Zr + Hf)% = 58% and a concomitant increase in tetragonal phase for further increase in Zr content. X-ray absorption spectroscopy (XAS) was used to determine the local atomic structure and metal oxide bond orientation. Polarization dependent XAS in normal and grazing incidence showed preferential metal-oxygen bond orientation consistent with the texturing observed by XRD. X-ray photoemission spectroscopy (XPS) and spectroscopic ellipsometry (SE) were also performed with special focus on spectral features which arise as a consequence of atomic ordering and specific crystalline phase. The combination of XAS, XPS, SE, and XRD enabled the determination of the effects of the deposition scheme and compositional alloying on the electronic structure, crystal field effects, optical properties, crystal phase, and texture for the mixed oxide alloy series. The multi-technique approach revealed the martensitic-like transformation of crystalline phase from monoclinic to tetragonal as the majority metal oxide concentration in the alloy mixture changed from HfO2 to ZrO2.

  4. Genetics Home Reference: cyclic neutropenia

    MedlinePlus

    ... infection, neutrophils release neutrophil elastase. This protein then modifies the function of certain cells and proteins to help fight the infection. ELANE gene mutations that cause cyclic neutropenia lead to an ...

  5. Cyclic Cushing's syndrome: an overview.

    PubMed

    Mantero, Franco; Scaroni, Carla M; Albiger, Nora M E

    2004-01-01

    Cyclic Cushing's syndrome (CS) involves rhythmic fluctuations in ACTH secretion resulting in a cyclic variation of adrenal steroid production. In the majority of cases, cyclic CS is caused by an ACTH-secreting pituitary adenoma, but it can also be due to ectopic ACTH production or an adrenal adenoma. This condition should be strongly suspected in patients with symptoms or signs of hypercortisolism but normal cortisol levels and paradoxical responses to the dexamethasone test, that may reflect an increasing or decreasing endogenous hormone activity. Dynamic tests are best interpreted if they are performed during a sustained period of hypercortisolism. Sometimes, it is necessary to confirm the diagnosis over lengthy periods of observation. Responses to treatment must be closely monitored, interpreted and evaluated with caution because of the potential variations in steroidogenesis. An original case report of a cyclic Cushing's syndrome is presented in this review.

  6. 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: a small angle x-ray and neutron scattering study.

    PubMed

    Blumenthal, Donald K; Copps, Jeffrey; Smith-Nguyen, Eric V; Zhang, Ping; Heller, William T; Taylor, Susan S

    2014-10-10

    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.

  7. The roles of RIIbeta linker and N-terminal cyclic nucleotide-binding domain in determining the unique structures of Type IIbeta Protein Kinase A. A small angle X-ray and neutron scattering study

    SciTech Connect

    Blumenthal, Donald K.; Copps, Jeffrey; Smith-Nguyen, Eric V.; Zhang, Ping; Heller, William T.; Taylor, Susan S.

    2014-08-11

    Protein kinase A (PKA) is ubiquitously expressed and is responsible for regulating many important cellular functions in response to changes in intracellular cAMP concentrations. Moreover, 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. These 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.

  8. The roles of RIIbeta linker and N-terminal cyclic nucleotide-binding domain in determining the unique structures of Type IIbeta Protein Kinase A. A small angle X-ray and neutron scattering study

    DOE PAGES

    Blumenthal, Donald K.; Copps, Jeffrey; Smith-Nguyen, Eric V.; ...

    2014-08-11

    Protein kinase A (PKA) is ubiquitously expressed and is responsible for regulating many important cellular functions in response to changes in intracellular cAMP concentrations. Moreover, 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 ismore » 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. These 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.« less

  9. Computer Simulation Of Cyclic Oxidation

    NASA Technical Reports Server (NTRS)

    Probst, H. B.; Lowell, C. E.

    1990-01-01

    Computer model developed to simulate cyclic oxidation of metals. With relatively few input parameters, kinetics of cyclic oxidation simulated for wide variety of temperatures, durations of cycles, and total numbers of cycles. Program written in BASICA and run on any IBM-compatible microcomputer. Used in variety of ways to aid experimental research. In minutes, effects of duration of cycle and/or number of cycles on oxidation kinetics of material surveyed.

  10. Cyclic Cushing's syndrome: an overview.

    PubMed

    Albiger, Nora Maria Elvira; Scaroni, Carla M; Mantero, Franco

    2007-11-01

    Cyclic Cushing's syndrome (CS) is a disorder in which glucocorticoid levels are alternately normal and high, the latter occurring in episodes that can last from a few days to several months. It is more common in children than in adults. Cyclic CS may be either of the two different forms of CS (ACTH-dependent or -independent CS). Clinically, it may present with one or many symptoms, depending on the duration of disease activity and the timing of the fluctuations. A serotoninergic influence, cyclic changes in central dopaminergic tone, spontaneous episodic hemorrhage in the tumor, and the action of inflammatory cytokines with antitumor properties are some of the mechanisms suggested to explain the physiopathology of this phenomenon but the exact mechanism remains to be clarified. The cyclic pattern of hypercortisolism can delay the final diagnosis of CS and make it difficult to interpret the results of dynamic tests. Patients may have paradoxical responses to dexamethasone that can reflect increasing or decreasing levels of endogenous activity. Hormone assessments have to be repeated periodically when a diagnosis of CS is suspected. The cyclic pattern can also interfere with medical treatment because patients may show unexpected clinical and biochemical signs of hypocortisolism when cortisol secretion cyclically returns to normal, so an accurate follow-up is mandatory in these patients.

  11. Cyclic Segregation State in Vertically Vibrated Binary Granular Mixtures

    NASA Astrophysics Data System (ADS)

    Shi, Qingfan; Pan, Beicheng; Lu, Changhong; Sun, Gang

    2014-01-01

    In this paper, the vertically vibrated binary granular mixtures at atmospheric pressure are studied experimentally. We find a nonstationary segregation state, of which the structure changes with time cyclically. The period of the cyclic segregation is measured and its variation with the vibration conditions is shown. The transition between the segregation states is also discussed, and a phase diagram on the plot of frequency against acceleration amplitude is given. In order to observe the effect of air flow in the segregation process, an alternative container with ventilated bottom is designed. Our experiments show that both regions of the Brazil nut segregation state and the cyclic segregation state shrink obviously by use of the latter container and disappear completely if the whole system is placed in vacuum. These results testify that the air pressure plays a positive role in both the Brazil nut effect and cyclic segregation.

  12. Rotational resonance determination of the structure of an enzyme-inhibitor complex: Phosphorylation of an (aminoalkyl)phosphinate inhibitor of D-alanyl-D-alanine ligase by ATP

    SciTech Connect

    McDermott, A.E.; Creuzet, F.; Griffin, R.G. ); Zawadzke, L.E.; Ye, Qizhuang; Walsh, C.T. )

    1990-06-19

    The authors have used a newly developed solid-state NMR method, rotational resonance, to establish the structure of an inhibited complex formed upon reaction of D-alanyl-D-alanine ligase, ATP, and the aminoalkyl dipeptide analogue (1(S)-aminoethyl)(2-carboxy-2(R)-methyl-1-ethyl)phosphinic acid (Ib). Analogue Ib was determined to be an ATP-dependent, slow-binding inhibitor of the D-Ala-D-Ala ligase from Salmonella typhimurium, with an enzyme-inhibitor half-life of 17 days at 37{degree}C. The inhibited complex shows a {sup 31}P NMR spectrum which is very different from that which would arise from a mixture of the free inhibitor and ATP. Four well-resolved lines were observed. A rotational resonance the spectrum shows evidence for strong dipolar couplings between the phosphinate phosphorus and a phosphate ester species. The dipolar coupling between the phosphorus signals at 53 and {minus}3 ppm was measured at rotational resonance by use of numerical simulations of both the line shape of the signal and the profile of magnetization transfer between the two sites. The measured coupling, 1.0 {plus minus} 0.2 kHz, indicates that the two species are bridged in a P-O-P linkage, with a P-P through-space distance of 2.7 {plus minus} 0.2 {angstrom}. This proves that the mechanism of inactivation involves phosphorylation of the enzyme-bound inhibitor by ATP to form a phosphoryl-phosphinate adduct.

  13. Uniformly Rotating Single Substance Bodies

    NASA Astrophysics Data System (ADS)

    Leonard, Charles Michael Leo

    This dissertation explicitly and in detail solves the extended rotator problem in the uncharged relativistic classical cases of most physical interest. It shows that no plausible relativistic solutions exist in the literature of the extended rotator and that the point rotator solutions sometimes ballyhooed are not to be taken seriously. Explicit energy speedratio functions, angular momentum speedratio functions, Hamiltonian, Lagrangian, and other important characteristic functions of the state of uniform rotation of the extended body are detailed. This dissertation does not retreat to an 'analysis' of just the point rotator --which so many others have done and done incorrectly, or at best misleadingly, by hiding implausible assumptions in manifestly covariant formats. Assumptions in the model are not hidden but are brought out and analyzed as to their relevance for highlighting the core of the uniform rotation physics. Neither does the author hide any ignorance of the internal holding field for the rotator. Formulae for the characteristic Minimum Holding Field are explicitly given and their relativistic relevance is shown. The demonstration that such fields can be ignored in the energy and angular momentum expressions is completely detailed. The explicit Stress-Energy Tensor for the entire closed rotator system is given with all that entails as to the inescapability of the results from out of that mathematics. The generality of the finiteness of the extreme relativistic rotational limit is detailed and explained with its stark essential contrast to the infinite limit in the case of extreme relativistic translation of a body. The rotator is shown to possess a rich mathematical structure. Many elegant interconnection formulae are found as well as new Hamiltonian formulae --sometimes of considerable complexity. Exact rotator formulae as well as graphs, tables, and even interesting approximations are provided. New nonlinear differential equations are discovered and

  14. Transmission intensity disturbance in a rotating polarizer

    NASA Astrophysics Data System (ADS)

    Fan, J. Y.; Li, H. X.; Wu, F. Q.

    2008-01-01

    Random disturbance was observed in transmission intensity in various rotating prism polarizers when they were used in optical systems. As a result, the transmitted intensity exhibited cyclic significant deviation from the Malus cosine-squared law with rotation of prisms. The disturbance spoils the light quality transmitted through the polarizer thus dramatically depresses the accuracies of measurements when the prim polarizers were used in light path. A rigorous model is presented based on the solid basis of multi-beams interference, and theoretical results show good agreement with measured values and also indicate effective method for reducing the disturbance.

  15. Filamentary structure and Keplerian rotation in the high-mass star-forming region G35.03+0.35 imaged with ALMA

    NASA Astrophysics Data System (ADS)

    Beltrán, M. T.; Sánchez-Monge, Á.; Cesaroni, R.; Kumar, M. S. N.; Galli, D.; Walmsley, C. M.; Etoka, S.; Furuya, R. S.; Moscadelli, L.; Stanke, T.; van der Tak, F. F. S.; Vig, S.; Wang, K.-S.; Zinnecker, H.; Elia, D.; Schisano, E.

    2014-11-01

    Context. Theoretical scenarios propose that high-mass stars are formed by disk-mediated accretion. Aims: To test the theoretical predictions on the formation of massive stars, we wish to make a thorough study at high-angular resolution of the structure and kinematics of the dust and gas emission toward the high-mass star-forming region G35.03+0.35, which harbors a disk candidate around a B-type (proto)star. Methods: We carried out ALMA Cycle 0 observations at 870 μm of dust of typical high-density, molecular outflow, and cloud tracers with resolutions of < 0''&dotbelow;5. Complementary Subaru COMICS 25 μm observations were carried out to trace the mid-infrared emission toward this star-forming region. Results: The submillimeter continuum emission has revealed a filamentary structure fragmented into six cores, called A-F. The filament could be in quasi-equilibrium taking into account that the mass per unit length of the filament, 200-375 M⊙/pc, is similar to the critical mass of a thermally and turbulently supported infinite cylinder, ~335 M⊙/pc. The cores, which are on average separated by ~0.02 pc, have deconvolved sizes of 1300-3400 AU, temperatures of 35-240 K, H2 densities >107 cm -3, and masses in the range 1-5 M⊙, and they are subcritical. Core A, which is associated with a hypercompact Hii region and could be the driving source of the molecular outflow observed in the region, is the most chemically rich source in G35.03+0.35 with strong emission of typical hot core tracers such as CH3CN. Tracers of high density and excitation show a clear velocity gradient along the major axis of the core, which is consistent with a disk rotating about the axis of the associated outflow. The PV plots along the SE-NW direction of the velocity gradient show clear signatures of Keplerian rotation, although infall could also be present, and they are consistent with the pattern of an edge-on Keplerian disk rotating about a star with a mass in the range 5-13 M⊙. The high

  16. Thermal-Mechanical Cyclic Test of a Composite Cryogenic Tank for Reusable Launch Vehicles

    NASA Technical Reports Server (NTRS)

    Messinger, Ross; Pulley, John

    2003-01-01

    This viewgraph presentation provides an overview of thermal-mechanical cyclic tests conducted on a composite cryogenic tank designed for reusable launch vehicles. Topics covered include: a structural analysis of the composite cryogenic tank, a description of Marshall Space Flight Center's Cryogenic Structure Test Facility, cyclic test plans and accomplishments, burst test and analysis and post-testing evaluation.

  17. Rayleigh- and Prandtl-number dependence of the large-scale flow-structure in weakly-rotating turbulent thermal convection

    NASA Astrophysics Data System (ADS)

    Weiss, Stephan; Wei, Ping; Ahlers, Guenter

    2015-11-01

    Turbulent thermal convection under rotation shows a remarkable variety of different flow states. The Nusselt number (Nu) at slow rotation rates (expressed as the dimensionless inverse Rossby number 1/Ro), for example, is not a monotonic function of 1/Ro. Different 1/Ro-ranges can be observed with different slopes ∂Nu / ∂ (1 / Ro) . Some of these ranges are connected by sharp transitions where ∂Nu / ∂ (1 / Ro) changes discontinuously. We investigate different regimes in cylindrical samples of aspect ratio Γ = 1 by measuring temperatures at the sidewall of the sample for various Prandtl numbers in the range 3 < Pr < 35 and Rayleigh numbers in the range of 108 < Ra < 4 ×1011 . From these measurements we deduce changes of the flow structure. We learn about the stability and dynamics of the large-scale circulation (LSC), as well as about its breakdown and the onset of vortex formation close to the top and bottom plate. We shall examine correlations between these measurements and changes in the heat transport. This work was supported by NSF grant DRM11-58514. SW acknowledges support by the Deutsche Forschungsgemeinschaft.

  18. Unusual thionation of a cyclic hexapeptide. Conformational changes and dynamics.

    PubMed

    Kessler, H; Geyer, A; Matter, H; Köck, M

    1992-07-01

    One carbonyl oxygen of the cyclic hexapeptide cyclo(-Gly1-Pro2-Phe3-Val4-Phe5-Phe6-) (A) can be selectively exchanged with sulphur using Yokoyama's reagent. Surprisingly it was not the C=] of Gly1 but that of Phe5 which was substituted and cyclo(-Gly1-Pro2-Phe3-Val4-Phe5 psi [CS-NH]Phe6-) (B) was obtained. Thionation results in a conformational change of the peptide backbone although the C=O of Phe5 and the corresponding C=S are not involved in internal hydrogen bonds. Two isomers in slow exchange, containing a cis Gly1-Pro2 bond in a beta VIa-turn (minor) and a trans Gly-P