WorldWideScience

Sample records for two-nucleon structure form

  1. Two-nucleon transfer reactions with form factor models

    International Nuclear Information System (INIS)

    Osman, A.

    1980-04-01

    The theory of two-nucleon transfer reactions is considered. Nuclear reactions are considered with triton or 3 He particles which are used as projectiles in stripping reactions and as detected particles in pick-up reactions. In each channel we have a four-particle problem, three of them are nucleons and the fourth is a heavy particle. These transfer reactions are studied on the basis of the generaled R-matrix method. Different channel functions of the sub-clusters in the triton and 3 He particles are included. Model form factors are obtained and are used in two-nucleon transfer reactions. Differential cross-sections of different two-nucleon transfer reactions are calculated and are found in good agreement with the experimental data. The correct normalization and spectroscopic factors are obtained. (author)

  2. Parity nonconservation in two-nucleon systems

    International Nuclear Information System (INIS)

    Nagle, D.E.

    1975-01-01

    The observation of a violation of the parity symmetry in two-nucleon systems implies the presence of a weak hadronic force. The positive effect reported by Lobashov et al. in the reaction np → dγ, for the circular polarization of the gamma ray, would imply a large value for the parity nonconserving (PNC) amplitude. A transmission experiment has been undertaken for 15-MeV longitudinally polarized protons on hydrogen. A transmission experiment for 6-GeV polarized protons on Be and on H 2 O is in progress at the ZGS at Argonne National Laboratory. The current results of the latter two experiments are summarized, and the relation to theoretical calculations is discussed. (2 figures, 1 table) (U.S.)

  3. Relations between the simultaneous and sequential transfer of two nucleons

    International Nuclear Information System (INIS)

    Satchler, G.R.

    1982-01-01

    The transfer of two nucleons between projectile and target in a direct or peripheral reaction such as (p,t) or ( 16 O, 14 C) may occur in one-step or two-steps. These we refer to as simultaneous and sequential transfers, respectively. In the former, the interaction acts once and both nucleons are transferred. In the latter, the interaction acts once to transfer one nucleon, the system then propagates in one or more intermediate states and is followed by a second action of the interaction to transfer the second nucleon. This process may be symbolized for the examples as (p,d; d,t) and ( 16 O, 15 N; 15 N, 14 C), implying the intermediate formation of a deuteron or the nucleus 15 N. In terms of a perturbation theory expansion, such as the distorted-wave Born series, simultaneous transfer is possible in first order while sequential transfer requires second order. The nuclear forces are predominantly two-body in character; hence, in first-order only one of the two nucleons experiences an interaction. The possibility of finding that the other nucleon has also transferred arises only because its state within the projectile is not orthogonal to the state in the target into which it transfers. In the two-step process each nucleon is transferred under the direct influence of an interaction with the target. The one-step and two-step amplitudes are frequently comparable in magnitude for light-ion reactions while the two-step may dominate in reactions with heavy ions. Our purpose here is to gain some insight into the relationship between the two amplitudes by using a simple approximate form of the theory. For simplicity, we shall discuss a light-ion reaction and, to be specific, we choose the (t,p) reaction (or the inverse (p,t) reaction)

  4. Two-nucleon transfer reactions uphold supersymmetry in atomic nuclei.

    Science.gov (United States)

    Barea, J; Bijker, R; Frank, A

    2005-04-22

    The spectroscopic strengths of two-nucleon transfer reactions constitute a stringent test for two-nucleon correlations in the nuclear wave functions. A set of closed analytic expressions for ratios of spectroscopic factors is derived in the framework of nuclear supersymmetry. These ratios are parameter independent and provide a direct test of the wave functions. A comparison between the recently measured 198Hg(d-->,alpha)196Au reaction and the predictions from the nuclear quartet supersymmetry lends further support to the validity of supersymmetry in nuclear physics.

  5. Off-energy-shell variations of two-nucleon transition matrix and three-nucleon problem

    International Nuclear Information System (INIS)

    Stingl, M.; Sauer, P.U.

    1975-01-01

    For a schematic three-nucleon problem, approximate analytic expressions are derived for the functional derivatives of measurable three-particle quantities with respect to off-shell variations of the triplet-s two-nucleon transition matrix. Those quantities include neutron-deuteron scattering lengths, trinucleon binding energies, and the 3 He charge form-factor minimum; correlations between off-shell changes in the latter two are discussed. An indication is given how results of this kind may be to decide whether or not a given set of discrepancies between calculated and experimental three-nucleon observables can be reconciled in terms of off-shell variations of a nonretarded hermitean two-nucleon interaction. The treatment is not restricted to special classes of phase-shift equivalent potentials or phase-shift preserving transformations but instead makes use of a systematic parameterization of off-shell variations in terms of symmetric rational approximants of increasing order

  6. Two-nucleon bound states in quenched lattice QCD

    International Nuclear Information System (INIS)

    Yamazaki, T.; Kuramashi, Y.; Ukawa, A.

    2011-01-01

    We address the issue of bound state in the two-nucleon system in lattice QCD. Our study is made in the quenched approximation at the lattice spacing of a=0.128 fm with a heavy quark mass corresponding to m π =0.8 GeV. To distinguish a bound state from an attractive scattering state, we investigate the volume dependence of the energy difference between the ground state and the free two-nucleon state by changing the spatial extent of the lattice from 3.1 fm to 12.3 fm. A finite energy difference left in the infinite spatial volume limit leads us to the conclusion that the measured ground states for not only spin triplet but also singlet channels are bounded. Furthermore the existence of the bound state is confirmed by investigating the properties of the energy for the first excited state obtained by a 2x2 diagonalization method. The scattering lengths for both channels are evaluated by applying the finite volume formula derived by Luescher to the energy of the first excited states.

  7. Relations between the simultaneous and sequential transfer of two nucleons

    International Nuclear Information System (INIS)

    Satchler, G.R.

    1982-01-01

    The transfer of two nucleons between projectile and target in a direct or peripheral reaction such as (p,t) or ( 16 O, 14 C) may occur in one-step or two-steps. These we refer to as simultaneous and sequential transfers, respectively. In the former, the interaction acts once and both nucleons are transferred. In the latter, the interaction acts once to transfer one nucleon, the system then propagates in one or more intermediate states and is followed by a second action of the interaction to transfer the second nucleon. This process may be symbolized for the above examples as (p,d;d,t) and ( 16 O, 15 N; 15 N, 14 C), implying the intermediate formation of a deuteron or the nucleus 15 N. (Of course, the intermediate system may exist in more than one state of excitation). For simplicity, the (t,p) reaction is chosen to illustrate the theory

  8. Two-Nucleon Systems in a Finite Volume

    Energy Technology Data Exchange (ETDEWEB)

    Briceno, Raul

    2014-11-01

    I present the formalism and methodology for determining the nucleon-nucleon scattering parameters from the finite volume spectra obtained from lattice quantum chromodynamics calculations. Using the recently derived energy quantization conditions and the experimentally determined scattering parameters, the bound state spectra for finite volume systems with overlap with the 3S1-3D3 channel are predicted for a range of volumes. It is shown that the extractions of the infinite-volume deuteron binding energy and the low-energy scattering parameters, including the S-D mixing angle, are possible from Lattice QCD calculations of two-nucleon systems with boosts of |P| <= 2pi sqrt{3}/L in volumes with spatial extents L satisfying fm <~ L <~ 14 fm.

  9. The two-nucleon electromagnetic charge operator in chiral effective field theory ($\\chi$EFT) up to one loop

    Energy Technology Data Exchange (ETDEWEB)

    S. Pastore,L. Girlanda,R. Schiavilla,M. Viviani,S. Pastore,L. Girlanda,R. Schiavilla,M. Viviani

    2011-08-01

    The electromagnetic charge operator in a two-nucleon system is derived in chiral effective field theory ($\\chi$EFT) up to order $e\\, Q$ (or N4LO), where $Q$ denotes the low-momentum scale and $e$ is the electric charge. The specific form of the N3LO and N4LO corrections from, respectively, one-pion-exchange and two-pion-exchange depends on the off-the-energy-shell prescriptions adopted for the non-static terms in the corresponding potentials. We show that different prescriptions lead to unitarily equivalent potentials and accompanying charge operators. Thus, provided a consistent set is adopted, predictions for physical observables will remain unaffected by the non-uniqueness associated with these off-the-energy-shell effects.

  10. The two-nucleon system at next-to-next-to-next-to-leading order

    Energy Technology Data Exchange (ETDEWEB)

    Evgeny Epelbaum; Walter Gloeckle; Ulf-G. Meissner

    2005-01-01

    We consider the two-nucleon system at next-to-next-to-next-to-leading order (N{sup 3}LO) in chiral effective field theory. The two--nucleon potential at N{sup 3}LO consists of one-, two- and three-pion exchanges and a set of contact interactions with zero, two and four derivatives. In addition, one has to take into account various isospin--breaking and relativistic corrections. We employ spectral function regularization for the multi--pion exchanges. Within this framework, it is shown that the three-pion exchange contribution is negligibly small. The low--energy constants (LECs) related to pion-nucleon vertices are taken consistently from studies of pion-nucleon scattering in chiral perturbation theory. The total of 26 four--nucleon LECs has been determined by a combined fit to some np and pp phase shifts from the Nijmegen analysis together with the nn scattering length.

  11. Two-nucleon emitters within a pseudostate method: The case of 6Be and 16Be

    Science.gov (United States)

    Casal, J.

    2018-03-01

    Background: Since the first experimental observation, two-nucleon radioactivity has gained renewed attention since the early 2000s. The 6Be system is the lightest two-proton ground-state emitter, while 16Be was recently proposed to be the first two-neutron ground-state emitter ever observed. A proper understanding of their properties and decay modes requires a reasonable description of the three-body continuum. Purpose: Study the ground-state properties of 6Be and 16Be within a general three-body model and investigate their nucleon-nucleon correlations in the continuum. Method: The pseudostate (PS) method in hyperspherical coordinates, using the analytical transformed harmonic oscillator (THO) basis for three-body systems, is used to construct the 6Be and 16Be ground-state wave functions. These resonances are approximated as a stable PS around the known two-nucleon separation energy. Effective core-N potentials, constrained by the available experimental information on the binary subsystems 5Li and 15Be, are employed in the calculations. Results: The ground state of 16Be is found to present a strong dineutron configuration, with the valence neutrons occupying mostly an l =2 state relative to the core. The results are consistent with previous R -matrix calculations for the actual continuum. The case of 6Be shows a clear symmetry with respect to its mirror partner, the two-neutron halo 6He: The diproton configuration is dominant, and the valence protons occupy an l =1 orbit. Conclusions: The PS method is found to be a suitable tool in describing the properties of unbound core+N +N ground states. For both 16Be and 6Be, the results are consistent with previous theoretical studies and confirm the dominant dinucleon configuration. This favors the picture of a correlated two-nucleon emission.

  12. The discovery of structural form.

    Science.gov (United States)

    Kemp, Charles; Tenenbaum, Joshua B

    2008-08-05

    Algorithms for finding structure in data have become increasingly important both as tools for scientific data analysis and as models of human learning, yet they suffer from a critical limitation. Scientists discover qualitatively new forms of structure in observed data: For instance, Linnaeus recognized the hierarchical organization of biological species, and Mendeleev recognized the periodic structure of the chemical elements. Analogous insights play a pivotal role in cognitive development: Children discover that object category labels can be organized into hierarchies, friendship networks are organized into cliques, and comparative relations (e.g., "bigger than" or "better than") respect a transitive order. Standard algorithms, however, can only learn structures of a single form that must be specified in advance: For instance, algorithms for hierarchical clustering create tree structures, whereas algorithms for dimensionality-reduction create low-dimensional spaces. Here, we present a computational model that learns structures of many different forms and that discovers which form is best for a given dataset. The model makes probabilistic inferences over a space of graph grammars representing trees, linear orders, multidimensional spaces, rings, dominance hierarchies, cliques, and other forms and successfully discovers the underlying structure of a variety of physical, biological, and social domains. Our approach brings structure learning methods closer to human abilities and may lead to a deeper computational understanding of cognitive development.

  13. Nanodiamond particles forming photonic structures

    International Nuclear Information System (INIS)

    Grichko, Varvara; Tyler, Talmage; Grishko, Victor I; Shenderova, Olga

    2008-01-01

    Colloid suspensions of irregularly shaped, highly charged detonation nanodiamond particles are found to have unexpected optical properties, similar to those of photonic crystals. This finding is all the more surprising since the particles used in this work are far more polydisperse than those typically forming photonic crystals. Intensely iridescent structures have been fabricated using the centrifugation of aqueous suspensions of nanodiamonds

  14. Nanodiamond particles forming photonic structures

    Energy Technology Data Exchange (ETDEWEB)

    Grichko, Varvara; Tyler, Talmage; Grishko, Victor I; Shenderova, Olga [International Technology Center, 8100 Brownleigh Drive, Suite 120, Raleigh, NC 27617 (United States)], E-mail: oshenderova@itc-inc.org

    2008-06-04

    Colloid suspensions of irregularly shaped, highly charged detonation nanodiamond particles are found to have unexpected optical properties, similar to those of photonic crystals. This finding is all the more surprising since the particles used in this work are far more polydisperse than those typically forming photonic crystals. Intensely iridescent structures have been fabricated using the centrifugation of aqueous suspensions of nanodiamonds.

  15. Two-nucleon emission in neutrino and electron scattering from nuclei: The modified convolution approximation

    Science.gov (United States)

    Ruiz Simo, I.; Amaro, J. E.; Barbaro, M. B.; Caballero, J. A.; Megias, G. D.; Donnelly, T. W.

    2018-01-01

    The theoretical formalism of inclusive lepton-nucleus scattering in the two-nucleon emission channel is discussed in the context of a simplified approach, the modified convolution approximation. This allows one to write the 2p2h responses of the relativistic Fermi gas as a folding integral of two 1p1h responses with the energies and momenta transferred to each nucleon. The idea behind this method is to introduce different average momenta for the two initial nucleons in the matrix elements of the two-body current, with the innovation that they depend on the transferred energies and momenta. This method treats exactly the two-body phase space kinematics, and reduces the formulae of the response functions from seven-dimensional integrals over momenta to much simpler three-dimensional ones. The applicability of the method is checked by comparing with the full results within a model of electroweak meson-exchange currents. The predictions are accurate enough, especially in the low-energy threshold region where the average momentum approximation works the best.

  16. Two-nucleon higher partial-wave scattering from lattice QCD

    Science.gov (United States)

    Berkowitz, Evan; Kurth, Thorsten; Nicholson, Amy; Joó, Bálint; Rinaldi, Enrico; Strother, Mark; Vranas, Pavlos M.; Walker-Loud, André

    2017-02-01

    We present a determination of nucleon-nucleon scattering phase shifts for ℓ ≥ 0. The S, P, D and F phase shifts for both the spin-triplet and spin-singlet channels are computed with lattice Quantum ChromoDynamics. For ℓ > 0, this is the first lattice QCD calculation using the Lüscher finite-volume formalism. This required the design and implementation of novel lattice methods involving displaced sources and momentum-space cubic sinks. To demonstrate the utility of our approach, the calculations were performed in the SU (3)-flavor limit where the light quark masses have been tuned to the physical strange quark mass, corresponding to mπ =mK ≈ 800 MeV. In this work, we have assumed that only the lowest partial waves contribute to each channel, ignoring the unphysical partial wave mixing that arises within the finite-volume formalism. This assumption is only valid for sufficiently low energies; we present evidence that it holds for our study using two different channels. Two spatial volumes of V ≈(3.5 fm)3 and V ≈(4.6 fm)3 were used. The finite-volume spectrum is extracted from the exponential falloff of the correlation functions. Said spectrum is mapped onto the infinite volume phase shifts using the generalization of the Lüscher formalism for two-nucleon systems.

  17. On some aspects of the relativistic description of the two-nucleon system

    International Nuclear Information System (INIS)

    Zuilhof, M.

    1981-01-01

    It has been shown that the Bethe-Salpeter equation (BSE) with a one-boson exchange (OBE) as the driving force is capable of giving a reasonable description of the two-nucleon system. They find it necessary to use a pseudo-vector (PV) pion-nucleon coupling, instead of the usual pseudo-scalar (PS) coupling, due to the very strong effects induced by the coupling of positive and negative-energy states in the latter case. Within such a field-theoretic model it is possible to study the electro-magnetic effects in a consistent way and the results, which are described in this thesis, do not deviate markedly from those calculated within a nonrelativistic model without corrections. A detailed analysis of the perturbative approach, is given and reveals both for PV and for PS coupling that there are effects which compensate the accepted contributions substantially. In particular, it is important to include the corrections due to special relativity in a consistent way. In addition the convergence of the quasipotential approach to the BSE has also been studied by adding higher order one-loop corrections. In general the author finds that the inclusion of corrections from the two-pion direct-box diagram to the driving force does not yield phase shifts close to the ones obtained from the BSE. The crossed-box effects are also of interest because one expects that there are cancellations with the direct-box diagram. This turns out not to be the case. Although there are essentially no problems in including these contributions in the description of the nucleon-nucleon interaction within the Blankenbeckler and Sugar framework, difficulties arise in the evaluation of the electromagnetic deuteron vertex function. (Auth.)

  18. Exchange terms in the two-nucleon induced non-mesonic weak decay of Λ-hypernuclei

    International Nuclear Information System (INIS)

    Bauer, E.; Garbarino, G.

    2009-01-01

    The contribution of Pauli exchange terms to the two-nucleon induced non-mesonic weak decay of 12 Λ C hypernuclei, ΛNN→nNN (N=n or p), is studied within a nuclear matter formalism implemented in a local density approximation. We have adopted a weak transition potential including the exchange of the complete octets of pseudoscalar and vector mesons as well as a residual strong interaction modeled on the Bonn potential. Among the exchange contributions, only the dominant ones have been evaluated microscopically from the corresponding Goldstone diagrams; a Landau-Migdal model has been adopted for the remaining exchange terms. The introduction of exchange terms turns out to reduce the two-nucleon induced non-mesonic rate by 18% and, jointly with an increase in the one-nucleon induced rate by the same magnitude, reveals to be significant for an accurate determination of the full set of hypernuclear non-mesonic decay widths in theoretical and experimental analyses.

  19. K− absorption on two nucleons and ppK− bound state search in the Σ0p final state

    Directory of Open Access Journals (Sweden)

    O. Vázquez Doce

    2016-07-01

    Full Text Available We report the measurement of K− absorption processes in the Σ0p final state and the first exclusive measurement of the two nucleon absorption (2NA with the KLOE detector. The 2NA process without further interactions is found to be 9% of the sum of all other contributing processes, including absorption on three and more nucleons or 2NA followed by final state interactions with the residual nucleons. We also determine the possible contribution of the ppK− bound state to the Σ0p final state. The yield of ppK−/Kstop− is found to be (0.044±0.009stat−0.005+0.004syst⋅10−2 but its statistical significance based on an F-test is only 1σ.

  20. Testing two-nucleon transfer reaction mechanism with elementary modes of excitation in exotic nuclei

    CERN Document Server

    Broglia, R A; Idini, A; Barranco, F; Vigezzi, E

    2015-01-01

    Nuclear Field Theory of structure and reactions is confronted with observations made on neutron halo dripline nuclei, resulting in the prediction of a novel (symbiotic) mode of nuclear excitation, and on the observation of the virtual effect of the halo phenomenon in the apparently non-halo nucleus $^7$Li. This effect is forced to become real by intervening the virtual process with an external (t,p) field which, combined with accurate predictive abilities concerning the absolute differential cross section, reveals an increase of a factor 2 in the cross section due to the presence of halo ground state correlations, and is essential to reproduce the value of the observed $d \\sigma(^7$Li(t,p)$^9$Li)/d$\\Omega$.

  1. The simultaneous emission of two nucleons, an understanding and new predictions

    International Nuclear Information System (INIS)

    Chavez L, E.; Barron, P.L.; Hernandez de la P, L.; Huerta H, A.; Ibanes S, A.; Macias P, R.; Moreno, E.; Hernandez de la P, L.; Huerta H, A.; Ibanes S, A.; Liang, J.F.; Macias P, R.; Moreno, E.; Ortiz, M.E.; Murillo, G.; Policroniades, R.; Varela, A; Beene, J.R.; Galindo U, A.; Gomez del Campo, J.; Gross, C.J.; Halbert, M.L.; Paul, S.D; Stracener, D.W.; Shapira, D.; Varner, R.L.

    2002-01-01

    After a long standing search of over 40 years, the simultaneous emission of two protons was discovered. An excited state in a light nuclei ( 18 Ne), not a ground state, was identified as the first state to have such decay property. In this work, we review that discovery, discuss the concept of simultaneity and propose a simple analysis in terms of the shell structure of the nuclei involved. The analysis is generalized to all closed shells up to 48 Ca. It is predicted that no other nuclear state near closed shells, can decay by a pure simultaneous emission of two protons. The same analysis applied to the case of the simultaneous emission of two neutrons yielded the prediction of two sets of states in 14 C and 18 0 with such property. (Author)

  2. Universality of many-body two-nucleon momentum distributions: Correlated nucleon spectral function of complex nuclei

    Science.gov (United States)

    Ciofi degli Atti, Claudio; Morita, Hiko

    2017-12-01

    Background: The nuclear spectral function is a fundamental quantity that describes the mean-field and short-range correlation dynamics of nucleons embedded in the nuclear medium; its knowledge is a prerequisite for the interpretation of various electroweak scattering processes off nuclear targets aimed at providing fundamental information on strong and weak interactions. Whereas in the case of the three-nucleon and, partly, the four-nucleon systems, the spectral function can be calculated ab initio within a nonrelativistic many-body Schroedinger approach, in the case of complex nuclei only models of the correlated, high-momentum part of the spectral function are available so far. Purpose: The purpose of this paper is to present a new approach such that the spectral function for a specific nucleus can be obtained from a reliable many-body calculation based upon realistic nucleon-nucleon interactions, thus avoiding approximations leading to adjustable parameters. Methods: The expectation value of the nuclear many-body Hamiltonian, containing realistic nucleon-nucleon interaction of the Argonne family, is evaluated variationally by a normalization-conserving linked-cluster expansion and the resulting many-body correlated wave functions are used to calculate the one-nucleon and the two-nucleon momentum distributions; by analyzing the high-momentum behavior of the latter, the spectral function can be expressed in terms of a transparent convolution formula involving the relative and center-of-mass (c.m.) momentum distributions in specific regions of removal energy E and momentum k . Results: It is found that as a consequence of the factorization of the many-body wave functions at short internucleon separations, the high-momentum behavior of the two-nucleon momentum distributions in A =3 ,4 ,12 ,16 ,40 nuclei factorizes, at proper values of the relative and c.m. momenta, into the c.m. and relative momentum distributions, with the latter exhibiting a universal A

  3. Consistent, high-quality two-nucleon potentials up to fifth order of the chiral expansion

    Science.gov (United States)

    Machleidt, R.

    2018-02-01

    We present N N potentials through five orders of chiral effective field theory ranging from leading order (LO) to next-to-next-to-next-to-next-to-leading order (N4LO). The construction may be perceived as consistent in the sense that the same power counting scheme as well as the same cutoff procedures are applied in all orders. Moreover, the long-range parts of these potentials are fixed by the very accurate πN low-energy constants (LECs) as determined in the Roy-Steiner equations analysis by Hoferichter, Ruiz de Elvira and coworkers. In fact, the uncertainties of these LECs are so small that a variation within the errors leads to effects that are essentially negligible, reducing the error budget of predictions considerably. The N N potentials are fit to the world N N data below pion-production threshold of the year of 2016. The potential of the highest order (N4LO) reproduces the world N N data with the outstanding χ 2/datum of 1.15, which is the highest precision ever accomplished for any chiral N N potential to date. The N N potentials presented may serve as a solid basis for systematic ab initio calculations of nuclear structure and reactions that allow for a comprehensive error analysis. In particular, the consistent order by order development of the potentials will make possible a reliable determination of the truncation error at each order. Our family of potentials is non-local and, generally, of soft character. This feature is reflected in the fact that the predictions for the triton binding energy (from two-body forces only) converges to about 8.1 MeV at the highest orders. This leaves room for three-nucleon-force contributions of moderate size.

  4. High-quality two-nucleon potentials up to fifth order of the chiral expansion

    Science.gov (United States)

    Entem, D. R.; Machleidt, R.; Nosyk, Y.

    2017-08-01

    We present NN potentials through five orders of chiral effective field theory ranging from leading order (LO) to next-to-next-to-next-to-next-to-leading order (N4LO ). The construction may be perceived as consistent in the sense that the same power counting scheme as well as the same cutoff procedures are applied in all orders. Moreover, the long-range parts of these potentials are fixed by the very accurate π N low-energy constants (LECs) as determined in the Roy-Steiner equations analysis by Hoferichter, Ruiz de Elvira, and coworkers. In fact, the uncertainties of these LECs are so small that a variation within the errors leads to effects that are essentially negligible, reducing the error budget of predictions considerably. The NN potentials are fit to the world NN data below the pion-production threshold of the year 2016. The potential of the highest order (N4LO ) reproduces the world NN data with the outstanding χ2/datum of 1.15, which is the highest precision ever accomplished for any chiral NN potential to date. The NN potentials presented may serve as a solid basis for systematic ab initio calculations of nuclear structure and reactions that allow for a comprehensive error analysis. In particular, the consistent order by order development of the potentials will make possible a reliable determination of the truncation error at each order. Our family of potentials is nonlocal and, generally, of soft character. This feature is reflected in the fact that the predictions for the triton binding energy (from two-body forces only) converges to about 8.1 MeV at the highest orders. This leaves room for three-nucleon-force contributions of moderate size.

  5. Forming of shape memory composite structures

    DEFF Research Database (Denmark)

    Santo, Loredana; Quadrini, Fabrizio; De Chiffre, Leonardo

    2013-01-01

    tomography. Final shape memory composite panels were mechanically tested by three point bending before and after a shape memory step. This step consisted of a compression to reduce the panel thickness up to 60%. At the end of the bending test the panel shape was recovered by heating and a new memory step...... was performed with a higher thickness reduction. Memory steps were performed at room temperature and 120 °C so as to test the foam core in the glassy and rubbery state, respectively. Shape memory tests revealed the ability of the shape memory composite structures to recover the initial shape also after severe......A new forming procedure was developed to produce shape memory composite structures having structural composite skins over a shape memory polymer core. Core material was obtained by solid state foaming of an epoxy polyester resin with remarkably shape memory properties. The composite skin consisted...

  6. Tensegrity structures form, stability, and symmetry

    CERN Document Server

    Zhang, Jing Yao

    2015-01-01

    To facilitate a deeper understanding of tensegrity structures, this book focuses on their two key design problems: self-equilibrium analysis and stability investigation. In particular, high symmetry properties of the structures are extensively utilized. Conditions for self-equilibrium as well as super-stability of tensegrity structures are presented in detail. An analytical method and an efficient numerical method are given for self-equilibrium analysis of tensegrity structures: the analytical method deals with symmetric structures and the numerical method guarantees super-stability. Utilizing group representation theory, the text further provides analytical super-stability conditions for the structures that are of dihedral as well as tetrahedral symmetry. This book not only serves as a reference for engineers and scientists but is also a useful source for upper-level undergraduate and graduate students. Keeping this objective in mind, the presentation of the book is self-contained and detailed, with an abund...

  7. Structural Encoding of Static Single Assignment Form

    DEFF Research Database (Denmark)

    Gal, Andreas; Probst, Christian; Franz, Michael

    2005-01-01

    Static Single Assignment (SSA) form is often used as an intermediate representation during code optimization in Java Virtual Machines. Recently, SSA has successfully been used for bytecode verification. However, constructing SSA at the code consumer is costly. SSAbased mobile code transport formats...... Java bytecode. While the resulting bytecode sequence can still be directly executed by traditional Virtual Machines, our novel VM can infer SSA form and confirm its safety with virtually no overhead....

  8. Forming foam structures with carbon foam substrates

    Science.gov (United States)

    Landingham, Richard L.; Satcher, Jr., Joe H.; Coronado, Paul R.; Baumann, Theodore F.

    2012-11-06

    The invention provides foams of desired cell sizes formed from metal or ceramic materials that coat the surfaces of carbon foams which are subsequently removed. For example, metal is located over a sol-gel foam monolith. The metal is melted to produce a metal/sol-gel composition. The sol-gel foam monolith is removed, leaving a metal foam.

  9. Rational design of fiber forming supramolecular structures

    Science.gov (United States)

    Wang, Benjamin K; Kanahara, Satoko M

    2016-01-01

    Recent strides in the development of multifunctional synthetic biomimetic materials through the self-assembly of multi-domain peptides and proteins over the past decade have been realized. Such engineered systems have wide-ranging application in bioengineering and medicine. This review focuses on fundamental fiber forming α-helical coiled-coil peptides, peptide amphiphiles, and amyloid-based self-assembling peptides; followed by higher order collagen- and elastin-mimetic peptides with an emphasis on chemical / biological characterization and biomimicry. PMID:27022140

  10. CHARACTERISTIC STRUCTURE OF STAR-FORMING CLOUDS

    Energy Technology Data Exchange (ETDEWEB)

    Myers, Philip C., E-mail: pmyers@cfa.harvard.edu [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States)

    2015-06-20

    This paper presents a new method to diagnose the star-forming potential of a molecular cloud region from the probability density function of its column density (N-pdf). This method provides expressions for the column density and mass profiles of a symmetric filament having the same N-pdf as a filamentary region. The central concentration of this characteristic filament can distinguish regions and can quantify their fertility for star formation. Profiles are calculated for N-pdfs which are pure lognormal, pure power law, or a combination. In relation to models of singular polytropic cylinders, characteristic filaments can be unbound, bound, or collapsing depending on their central concentration. Such filamentary models of the dynamical state of N-pdf gas are more relevant to star-forming regions than are spherical collapse models. The star formation fertility of a bound or collapsing filament is quantified by its mean mass accretion rate when in radial free fall. For a given mass per length, the fertility increases with the filament mean column density and with its initial concentration. In selected regions the fertility of their characteristic filaments increases with the level of star formation.

  11. SAFAS: Unifying Form and Structure through Interactive 3D Simulation

    Science.gov (United States)

    Polys, Nicholas F.; Bacim, Felipe; Setareh, Mehdi; Jones, Brett D.

    2015-01-01

    There has been a significant gap between the tools used for the design of a building's architectural form and those that evaluate the structural physics of that form. Seeking to bring the perspectives of visual design and structural engineering closer together, we developed and evaluated a design tool for students and practitioners to explore the…

  12. Measuring the Thermophysical and Structural Properties of Glass-Forming and Quasicrystal-Forming Liquids

    Science.gov (United States)

    Hyers, Robert W.; Bradshaw, Richard C.; Rogers, Jan R.; Gangopadhyay, Anup K.; Kelton, Ken F.

    2006-01-01

    The thermophysical properties of glass-forming and quasicrystal-forming alloys show many interesting features in the undercooled liquid range. Some of the features in the thermophysical property curves are expected to reflect changes in the structure and coordination of the liquid. These measurements require containerless processing such as electrostatic levitation to access the undercooled liquid regime. An overview of the state of the art in measuring the thermophysical properties and structure of undercooled liquid glass-forming and quasicrystal-forming alloys will be presented, along with the status of current measurements.

  13. Personification in discourse: linguistic forms, conceptual structures and communicative functions.

    NARCIS (Netherlands)

    Dorst, A.G.

    2011-01-01

    Drawing on examples from a corpus of 14 excerpts from novels, this article aims to present a systematic investigation of the different linguistic forms, conceptual structures and communicative functions of personification in discourse. The Metaphor Identification Procedure (Pragglejaz Group, 2007)

  14. The CTCF insulator protein forms an unusual DNA structure

    Directory of Open Access Journals (Sweden)

    Sadowski Paul D

    2010-12-01

    Full Text Available Abstract Background The CTCF insulator protein is a highly conserved zinc finger protein that has been implicated in many aspects of gene regulation and nuclear organization. The protein has been hypothesized to organize the human genome by forming DNA loops. Results In this paper, we report biochemical evidence to support the role for CTCF in forming DNA loops. We have measured DNA bending by CTCF at the chicken HS4 β-globin FII insulator element in vitro and have observed a unique DNA structure with aberrant electrophoretic mobility which we believe to be a DNA loop. CTCF is able to form this unusual DNA structure at two other binding sites: the c-myc P2 promoter and the chicken F1 lysozyme gene silencer. We also demonstrate that the length though not the sequence of the DNA downstream of the binding site is important for the ability of CTCF to form this unusual DNA structure. We hypothesize that a single CTCF protein molecule is able to act as a "looper" possibly through the use of several of its zinc fingers. Conclusions CTCF is able to form an unusual DNA structure through the zinc finger domain of the protein. This unusual DNA structure is formed in a directional manner by the CTCF protein. The findings described in this paper suggest mechanisms by which CTCF is able to form DNA loops, organize the mammalian genome and function as an insulator protein.

  15. Form-finding of shell structures generated from physical models

    NARCIS (Netherlands)

    Li, Q.; Su, Y; Wu, Y; Borgart, A.; Rots, J.G.

    2017-01-01

    Vector form intrinsic finite element is a recently developed and promising numerical method for the analysis of complicated structural behavior. Taking the cable-link element as example, the framework of the vector form intrinsic finite element is explained first. Based on this, a constant strain

  16. Does a Structured Data Collection Form Improve The Accuracy of ...

    African Journals Online (AJOL)

    and multiple etiologies for similar presentation. Standardized forms may harmonize the initial assessment, improve accuracy of diagnosis and enhance outcomes. Objectives: To determine the extent to which use of a structured data collection form (SDCF) affected the diagnostic accuracy of AAP. Methodology: A before and ...

  17. Does a Structured Data Collection Form Improve The Accuracy of ...

    African Journals Online (AJOL)

    This influence of age, gender and disease type on the impact of the form was evaluated as was the impact of the introduction of the structured forms on time to ED disposition, hospital stay, number and ... digitization, learning curve and the view that this is an attempt to ... and Research Ethics Committees of AKUH, N. Results.

  18. Geometric structures associated with a simple Cartan 3-form

    Czech Academy of Sciences Publication Activity Database

    Le, Hong-Van

    2013-01-01

    Roč. 70, August (2013), s. 205-223 ISSN 0393-0440 Institutional support: RVO:67985840 Keywords : Cartan 3-form * multi-symplectic form * G-structure Subject RIV: BA - General Mathematics Impact factor: 0.797, year: 2013 http://www.sciencedirect.com/science/article/pii/S0393044013000740

  19. Transparent form-active system with structural glass

    NARCIS (Netherlands)

    Nikolaou, M.S.N.; Veer, F.A.; Eigenraam, P.

    2015-01-01

    Free-form transparent wide-span spatial structures which have being constructed so far, are based on the concept of three sets of components, the structural components, usually steel elements to ensure both compressive and tensional capacity; the glass cladding elements for expressing transparency;

  20. Ring and Volcano Structures Formed by a Metal Dipyrromethene Complex

    Energy Technology Data Exchange (ETDEWEB)

    Son, Seung Bae; Hahn, Jae Ryang [Chonbuk National Univ., Jeonju (Korea, Republic of); Miao, Qing; Shin, Jiyoung; Dolphin, David [Univ. of British Columbia, Columbia (Canada)

    2014-06-15

    Dichloromethane liquid droplets containing a cobalt dipyrromethene trimer deposited on a graphite surface were found to form coffee ring, toroid ring, or volcano dot structures due to the redistribution of the solute during solvent evaporation. The shapes and size distributions of the ring structures depended on the drying temperature. The shape differences were attributed to the fact that the solvent evaporation rate controlled the self-assembly process that yielded the coffee stain and pinhole structures.

  1. Structural disorder in metallic glass-forming liquids.

    Science.gov (United States)

    Pan, Shao-Peng; Feng, Shi-Dong; Wang, Li-Min; Qiao, Jun-Wei; Niu, Xiao-Feng; Dong, Bang-Shao; Wang, Wei-Min; Qin, Jing-Yu

    2016-06-09

    We investigated structural disorder by a new structural parameter, quasi-nearest atom (QNA), in atomistic configurations of eight metallic glass-forming systems generated through molecular dynamics simulations at various temperatures. Structural analysis reveals that the scaled distribution of the number of QNA appears to be an universal property of metallic liquids and the spatial distribution of the number of QNA displays to be clearly heterogeneous. Furthermore, the new parameter can be directly correlated with potential energy and structural relaxation at the atomic level. Some straightforward relationships between QNA and other properties (per-atom potential energy and α-relaxation time) are introduced to reflect structure-property relationship in metallic liquids. We believe that the new structural parameter can well reflect structure disorder in metallic liquids and play an important role in understanding various properties in metallic liquids.

  2. QuikForm: Intelligent deformation processing of structural alloys

    Energy Technology Data Exchange (ETDEWEB)

    Bourcier, R.J.; Wellman, G.W.

    1994-09-01

    There currently exists a critical need for tools to enhance the industrial competitiveness and agility of US industries involved in deformation processing of structural alloys. In response to this need, Sandia National Laboratories has embarked upon the QuikForm Initiative. The goal of this program is the development of computer-based tools to facilitate the design of deformation processing operations. The authors are currently focusing their efforts on the definition/development of a comprehensive system for the design of sheet metal stamping operations. The overall structure of the proposed QuikForm system is presented, and the focus of their thrust in each technical area is discussed.

  3. Exploratory Topology Modelling of Form-Active Hybrid Structures

    DEFF Research Database (Denmark)

    Holden Deleuran, Anders; Pauly, Mark; Tamke, Martin

    2016-01-01

    The development of novel form-active hybrid structures (FAHS) is impeded by a lack of modelling tools that allow for exploratory topology modelling of shaped assemblies. We present a flexible and real-time computational design modelling pipeline developed for the exploratory modelling of FAHS...... that enables designers and engineers to iteratively construct and manipulate form-active hybrid assembly topology on the fly. The pipeline implements Kangaroo2's projection-based methods for modelling hybrid structures consisting of slender beams and cable networks. A selection of design modelling sketches...... is presented in which the developed modelling pipeline has been integrated to explore the design space delineated by FAHS....

  4. New forms of inequality and structures of glam-capitalism

    OpenAIRE

    IVANOV DMITRY

    2016-01-01

    The long history of capitalism can be interpreted as an evolution driven by permanently mutating socioeconomic structures. The article is devoted to new forms of inequality that emerged during the postindustrial phase of the capitalism evolution and increase the structural complexity of contemporary societies. The spatial configuration of inequality transforms while globalization has resulted not in the ‘world society’ but rather in a transnational network of the globality enclaves: the large...

  5. Probabilistic Seismic Performance Model for Tunnel Form Concrete Building Structures

    Directory of Open Access Journals (Sweden)

    S. Bahram Beheshti Aval

    2016-12-01

    Full Text Available Despite widespread construction of mass-production houses with tunnel form structural system across the world, unfortunately no special seismic code is published for design of this type of construction. Through a literature survey, only a few studies are about the seismic behavior of this type of structural system. Thus based on reasonable numerical results, the seismic performance of structures constructed with this technique considering the effective factors on structural behavior is highly noteworthy in a seismic code development process. In addition, due to newness of this system and observed damages in past earthquakes, and especially random nature of future earthquakes, the importance of probabilistic approach and necessity of developing fragility curves in a next generation Performance Based Earthquake Engineering (PBEE frame work are important. In this study, the seismic behavior of 2, 5 and 10 story tunnel form structures with a regular plan is examined. First, the performance levels of these structures under the design earthquake (return period of 475 years with time history analysis and pushover method are assessed, and then through incremental dynamic analysis, fragility curves are extracted for different levels of damage in walls and spandrels. The results indicated that the case study structures have high capacity and strength and show appropriate seismic performance. Moreover, all three structures subjected were in immediate occupancy performance level.

  6. Monte Carlo Form-Finding Method for Tensegrity Structures

    Science.gov (United States)

    Li, Yue; Feng, Xi-Qiao; Cao, Yan-Ping

    2010-05-01

    In this paper, we propose a Monte Carlo-based approach to solve tensegrity form-finding problems. It uses a stochastic procedure to find the deterministic equilibrium configuration of a tensegrity structure. The suggested Monte Carlo form-finding (MCFF) method is highly efficient because it does not involve complicated matrix operations and symmetry analysis and it works for arbitrary initial configurations. Both regular and non-regular tensegrity problems of large scale can be solved. Some representative examples are presented to demonstrate the efficiency and accuracy of this versatile method.

  7. Salt-occluded zeolite waste forms: Crystal structures and transformability

    International Nuclear Information System (INIS)

    Richardson, J.W. Jr.

    1996-01-01

    Neutron diffraction studies of salt-occluded zeolite and zeolite/glass composite samples, simulating nuclear waste forms loaded with fission products, have revealed complex structures, with cations assuming the dual roles of charge compensation and occlusion (cluster formation). These clusters roughly fill the 6--8 angstrom diameter pores of the zeolites. Samples are prepared by equilibrating zeolite-A with complex molten Li, K, Cs, Sr, Ba, Y chloride salts, with compositions representative of anticipated waste systems. Samples prepared using zeolite 4A (which contains exclusively sodium cations) as starting material are observed to transform to sodalite, a denser aluminosilicate framework structure, while those prepared using zeolite 5A (sodium and calcium ions) more readily retain the zeolite-A structure. Because the sodalite framework pores are much smaller than those of zeolite-A, clusters are smaller and more rigorously confined, with a correspondingly lower capacity for waste containment. Details of the sodalite structures resulting from transformation of zeolite-A depend upon the precise composition of the original mixture. The enhanced resistance of salt-occluded zeolites prepared from zeolite 5A to sodalite transformation is thought to be related to differences in the complex chloride clusters present in these zeolite mixtures. Data relating processing conditions to resulting zeolite composition and structure can be used in the selection of processing parameters which lead to optimal waste forms

  8. Form and structure and their function in psychotherapy.

    Science.gov (United States)

    Rothenberg, A

    1992-07-01

    Psychotherapy is a creative process with the same types of effects and determinants as other creative activities in fields such as literature, visual arts, and science. In all of these activities, a focus on form and structure serves to generate new and valuable resultants or creations. As shown in the example of the poet Richard Wilbur's creation of a poem, his focus on rhyme and other formal features generated a new and valuable emotional tension in the poem. In psychotherapy, the creation consists of new and valuable aspects or structural features of personality. This creative result in therapy is produced in part by therapists' focus on form in terms of sequences, style of verbal and non-verbal presentation, and the phases of encounter, growth, and separation. As shown in the psychotherapy session excerpted, the therapist's lack of attention to the critical theme initiated by the patient at the beginning of the session (encounter) as well as to the meanings of connections between sequences in the following interactions (growth) led to a non-creative or destructive suicidal threat at the end (separation). The overall creative result arises also from therapists' attention to patients' approaches to the overall structure of psychotherapy as a regularly occurring timed experience in which the therapist does not directly intervene in the patient's life. This structural organization provides a trial domain for the patient in which creative growth and personal welfare can be facilitated. Both patient and therapist need to focus on any attempts to undermine the structural organization and its meaning. Similarly, in creative activities in other fields, writers, artists, and scientists characteristically focus on form, in a detailed as well as general way, in order to facilitate both aesthetic and social growth and welfare.

  9. Unstable fronts and motile structures formed by microrollers

    Science.gov (United States)

    Driscoll, Michelle; Delmotte, Blaise; Youssef, Mena; Sacanna, Stefano; Donev, Aleksandar; Chaikin, Paul

    2017-04-01

    Condensation of objects into stable clusters occurs naturally in equilibrium and driven systems. It is commonly held that potential interactions, depletion forces, or sensing are the only mechanisms which can create long-lived compact structures. Here we show that persistent motile structures can form spontaneously from hydrodynamic interactions alone, with no sensing or potential interactions. We study this structure formation in a system of colloidal rollers suspended and translating above a floor, using both experiments and large-scale three-dimensional simulations. In this system, clusters originate from a previously unreported fingering instability, where fingers pinch off from an unstable front to form autonomous `critters’, whose size is selected by the height of the particles above the floor. These critters are a stable state of the system, move much faster than individual particles, and quickly respond to a changing drive. With speed and direction set by a rotating magnetic field, these active structures offer interesting possibilities for guided transport, flow generation, and mixing at the microscale.

  10. Crystal structure of substrate free form of glycerol dehydratase

    Energy Technology Data Exchange (ETDEWEB)

    Liao, Der-Ing; Dotson, Garry; Turner, Jr., Ivan; Reiss, Lisa; Emptage, Mark (Du Pont)

    2010-03-08

    Glycerol dehydratase (GDH) and diol dehydratase (DDH) are highly homologous isofunctional enzymes that catalyze the elimination of water from glycerol and 1,2-propanediol (1,2-PD) to the corresponding aldehyde via a coenzyme B{sub 12}-dependent radical mechanism. The crystal structure of substrate free form of GDH in complex with cobalamin and K{sup +} has been determined at 2.5 {angstrom} resolution. Its overall fold and the subunit assembly closely resemble those of DDH. Comparison of this structure and the DDH structure, available only in substrate bound form, shows the expected change of the coordination of the essential K{sup +} from hexacoordinate to heptacoordinate with the displacement of a single coordinated water by the substrate diol. In addition, there appears to be an increase in the rigidity of the K{sup +} coordination (as measured by lower B values) upon the binding of the substrate. Structural analysis of the locations of conserved residues among various GDH and DDH sequences has aided in identification of residues potentially important for substrate preference or specificity of protein-protein interactions.

  11. Structure of the orthorhombic form of human inosine triphosphate pyrophosphatase

    International Nuclear Information System (INIS)

    Porta, Jason; Kolar, Carol; Kozmin, Stanislav G.; Pavlov, Youri I.; Borgstahl, Gloria E. O.

    2006-01-01

    X-ray crystallographic analysis of human inosine triphosphate pyrophosphohydrolase provided the secondary structure and active-site structure at 1.6 Å resolution in an orthorhombic crystal form. The structure gives a framework for future structure–function studies employing site-directed mutagenesis and for the identification of substrate/product-binding sites. The structure of human inosine triphosphate pyrophosphohydrolase (ITPA) has been determined using diffraction data to 1.6 Å resolution. ITPA contributes to the accurate replication of DNA by cleansing cellular dNTP pools of mutagenic nucleotide purine analogs such as dITP or dXTP. A similar high-resolution unpublished structure has been deposited in the Protein Data Bank from a monoclinic and pseudo-merohedrally twinned crystal. Here, cocrystallization of ITPA with a molar ratio of XTP appears to have improved the crystals by eliminating twinning and resulted in an orthorhombic space group. However, there was no evidence for bound XTP in the structure. Comparison with substrate-bound NTPase from a thermophilic organism predicts the movement of residues within helix α1, the loop before α6 and helix α7 to cap off the active site when substrate is bound

  12. Catalyst support structure, catalyst including the structure, reactor including a catalyst, and methods of forming same

    Science.gov (United States)

    Van Norman, Staci A.; Aston, Victoria J.; Weimer, Alan W.

    2017-05-09

    Structures, catalysts, and reactors suitable for use for a variety of applications, including gas-to-liquid and coal-to-liquid processes and methods of forming the structures, catalysts, and reactors are disclosed. The catalyst material can be deposited onto an inner wall of a microtubular reactor and/or onto porous tungsten support structures using atomic layer deposition techniques.

  13. Nuclear reactor structural material forming less radioactive corrosion product

    International Nuclear Information System (INIS)

    Nakazawa, Hiroshi.

    1988-01-01

    Purpose: To provide nuclear reactor structural materials forming less radioactive corrosion products. Constitution: Ni-based alloys such as inconel alloy 718, 600 or inconel alloy 750 and 690 having excellent corrosion resistance and mechanical property even in coolants at high temperature and high pressure have generally been used as nuclear reactor structural materials. However, even such materials yield corrosion products being attacked by coolants circulating in the nuclear reactor, which produce by neutron irradiation radioactive corrosion products, that are deposited in primary circuit pipeways to constitute exposure sources. The present invention dissolves dissolves this problems by providing less activating nuclear reactor structural materials. That is, taking notice on the fact that Ni-58 contained generally by 68 % in Ni changes into Co-58 under irradiation of neutron thereby causing activation, the surface of nuclear reactor structural materials is applied with Ni plating by using Ni with a reduced content of Ni-58 isotopes. Accordingly, increase in the radiation level of the nuclear reactor structural materials can be inhibited. (K.M.)

  14. Structuring free form verbal descriptions in equipment failure reports

    International Nuclear Information System (INIS)

    Huzdovich, J.

    1983-01-01

    Information is encoded for convenience in computer sort/search routines used to manage a large number of records. The codes in use for equipment failure reports are limited due to practical considerations, and this limitation forces the reporter to leave out information to satisfy the coding requirements. The free form verbal descriptions, as found in the Generating Availability Data System (GADS) and the Nuclear Plant Reliability Data System (NPRDS), allow for reporting of this non-codable information. A systematic approach to constructing the verbal description based on rules of grammar, especially syntax, results in a structured narrative suitable for computer data management schemes. In addition, the reporter has a full range of descriptive terminology and does not have to select subjectively from a predetermined, limited vocabulary to describe the event. This paper introduces a concept that places in perspective the integration of structured, formal reporting and free form verbal description. A second benefit of this structured narrative is the systematic development of failure mode/failure cause relationships in the event

  15. Fusarium graminearum forms mycotoxin producing infection structures on wheat

    Directory of Open Access Journals (Sweden)

    Boenisch Marike J

    2011-07-01

    Full Text Available Abstract Background The mycotoxin producing fungal pathogen Fusarium graminearum is the causal agent of Fusarium head blight (FHB of small grain cereals in fields worldwide. Although F. graminearum is highly investigated by means of molecular genetics, detailed studies about hyphal development during initial infection stages are rare. In addition, the role of mycotoxins during initial infection stages of FHB is still unknown. Therefore, we investigated the infection strategy of the fungus on different floral organs of wheat (Triticum aestivum L. under real time conditions by constitutive expression of the dsRed reporter gene in a TRI5prom::GFP mutant. Additionally, trichothecene induction during infection was visualised with a green fluorescent protein (GFP coupled TRI5 promoter. A tissue specific infection pattern and TRI5 induction were tested by using different floral organs of wheat. Through combination of bioimaging and electron microscopy infection structures were identified and characterised. In addition, the role of trichothecene production for initial infection was elucidated by a ΔTRI5-GFP reporter strain. Results The present investigation demonstrates the formation of foot structures and compound appressoria by F. graminearum. All infection structures developed from epiphytic runner hyphae. Compound appressoria including lobate appressoria and infection cushions were observed on inoculated caryopses, paleas, lemmas, and glumes of susceptible and resistant wheat cultivars. A specific trichothecene induction in infection structures was demonstrated by different imaging techniques. Interestingly, a ΔTRI5-GFP mutant formed the same infection structures and exhibited a similar symptom development compared to the wild type and the TRI5prom::GFP mutant. Conclusions The different specialised infection structures of F. graminearum on wheat florets, as described in this study, indicate that the penetration strategy of this fungus is far more

  16. Calibrated and Interactive Modelling of Form-Active Hybrid Structures

    DEFF Research Database (Denmark)

    Quinn, Gregory; Holden Deleuran, Anders; Piker, Daniel

    2016-01-01

    at a fraction of the weight of traditional building elements and do so with a clear aesthetic expression of force flow and equilibrium. The design of FAHS is limited by one significant restriction: the geometry definition, form-finding and structural analysis are typically performed in separate and bespoke...... software packages which introduce interruptions and data exchange issues in the modelling pipeline. The mechanical precision, stability and open software architecture of Kangaroo has facilitated the development of proof-of-concept modelling pipelines which tackle this challenge and enable powerful...... materially-informed sketching. Making use of a projection-based dynamic relaxation solver for structural analysis, explorative design has proven to be highly effective....

  17. Calcitonin Forms Oligomeric Pore-Like Structures in Lipid Membranes

    Science.gov (United States)

    Diociaiuti, Marco; Polzi, Laura Zanetti; Valvo, Luisa; Malchiodi-Albedi, Fiorella; Bombelli, Cecilia; Gaudiano, Maria Cristina

    2006-01-01

    Calcitonin is a polypeptidic hormone involved in calcium metabolism in the bone. It belongs to the amyloid protein family, which is characterized by the common propensity to aggregate acquiring a β-sheet conformation and include proteins associated with important neurodegenerative diseases. Here we show for the first time, to our knowledge, by transmission electron microscopy (TEM) that salmon-calcitonin (sCT) forms annular oligomers similar to those observed for β-amyloid and α-sinuclein (Alzheimer's and Parkinson's diseases). We also investigated the interaction between sCT and model membranes, such as liposomes, with particular attention to the effect induced by lipid “rafts” made of cholesterol and GM1. We observed, by TEM immunogold labeling of sCT, that protein binding is favored by the presence of rafts. In addition, we found by TEM that sCT oligomers inserted in the membrane have the characteristic pore-like morphology of the amyloid proteins. Circular dichroism experiments revealed an increase in β-content in sCT secondary structure when the protein was reconstituted in rafts mimicking liposomes. Finally, we showed, by spectrofluorimetry experiments, that the presence of sCT allowed Ca2+ entry in rafts mimicking liposomes loaded with the Ca2+-specific fluorophore Fluo-4. This demonstrates that sCT oligomers have ion-channel activity. Our results are in good agreement with recent electrophysiological studies reporting that sCT forms Ca2+-permeable ion channels in planar model membranes. It has been proposed that, beyond the well-known interaction of the monomer with the specific receptor, the formation of Ca2+ channels due to sCT oligomers could represent an extra source of Ca2+ entry in osteoblasts. Structural and functional data reported here support this hypothesis. PMID:16940475

  18. Free Form Structural Design : Schemes, systems and prototypes of structures for irregular shaped buildings

    NARCIS (Netherlands)

    Veltkamp, M.

    2007-01-01

    Irregularly shaped buildings with double curved surfaces, also known as free forms or Blobs, have regained interest from architects. Those actually built however, despite their futuristic look, have load-bearing structures which are still based on conventional principles, as building systems

  19. THE STRUCTURE OF THE STAR-FORMING CLUSTER RCW 38

    Energy Technology Data Exchange (ETDEWEB)

    Winston, E. [ESA-ESTEC (SRE-SA), Keplerlaan 1, 2201 AZ Noordwijk ZH (Netherlands); Wolk, S. J.; Bourke, T. L.; Spitzbart, B. [Harvard Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Megeath, S. T. [Ritter Observatory, Department of Physics and Astronomy, University of Toledo, 2801 West Bancroft Avenue, Toledo, OH 43606 (United States); Gutermuth, R., E-mail: ewinston@rssd.esa.int [Five Colleges Astronomy Department, Smith College, Northampton, MA 01027 (United States)

    2011-12-20

    We present a study of the structure of the high-mass star-forming region RCW 38 and the spatial distribution of its young stellar population. Spitzer Infrared Array Camera (IRAC) photometry (3-8 {mu}m) is combined with Two Micron All Sky Survey near-IR data to identify young stellar objects (YSOs) by IR-excess emission from their circumstellar material. Chandra X-ray data are used to identify class III pre-main-sequence stars lacking circumstellar material. We identify 624 YSOs: 23 class 0/I and 90 flat spectrum protostars, 437 class II stars, and 74 class III stars. We also identify 29 (27 new) O star candidates over the IRAC field. Seventy-two stars exhibit IR-variability, including 7 class 0/I and 12 flat spectrum YSOs. A further 177 tentative candidates are identified by their location in the IRAC [3.6] versus [3.6]-[5.8] color-magnitude diagram. We find strong evidence of subclustering in the region. Three subclusters were identified surrounding the central cluster, with massive and variable stars in each subcluster. The central region shows evidence of distinct spatial distributions of the protostars and pre-main-sequence stars. A previously detected IR cluster, DB2001{sub O}bj36, has been established as a subcluster of RCW 38. This suggests that star formation in RCW 38 occurs over a more extended area than previously thought. The gas-to-dust ratio is examined using the X-ray derived hydrogen column density, N{sub H} and the K-band extinction, and found to be consistent with the diffuse interstellar medium, in contrast with Serpens and NGC 1333. We posit that the high photoionizing flux of massive stars in RCW 38 affects the agglomeration of the dust grains.

  20. Structure and applications of point form relativistic quantum mechanics

    International Nuclear Information System (INIS)

    Klink, W.H.

    2003-01-01

    The framework of point form relativistic quantum mechanics is used to construct mass and current operators for hadronic systems with finite degree of freedom. For the point form all of the interactions are in the four-momentum operator and, since Lorentz transformations are kinematic, the theory is manifestly covariant. In the Bakamjian-Thomas version of the point form the four-momentum operator is written as a product of the four-velocity operator and mass operator, where the mass operator is the sum of free and interacting mass operators. Interacting mass operators can be constructed from vertices, matrix elements of local field operators evaluated at the space-time point zero, where the states are eigenstates of the four-velocity. Applications include the study of the spectra and widths of vector mesons, viewed as bound states of quark-antiquark pairs. Besides mass operators, current operators are needed to compute form factors. Form factors are matrix elements of current operators on mass operator eigenstates and are often calculated with one-body current operators (in the point form this is called the point form spectator approximation); but in a properly relativistic theory there must also be many-body current operators. Minimal currents needed to satisfy current conservation in the presence of hadronic interactions (called dynamically determined currents) are shown to be easily calculated in the point form. (author)

  1. Spatial and kinematic structure of Monoceros star-forming region

    Science.gov (United States)

    Costado, M. T.; Alfaro, E. J.

    2018-02-01

    The principal aim of this work is to study the velocity field in the Monoceros star-forming region using the radial velocity data available in the literature, as well as astrometric data from the Gaia first release. This region is a large star-forming complex formed by two associations named Monoceros OB1 and OB2. We have collected radial velocity data for more than 400 stars in the area of 8 x 12 square degrees and distance for more than 200 objects. We apply a clustering analysis in the subspace of the phase space formed by angular coordinates and radial velocity or distance data using the Spectrum of Kinematic Grouping methodology. We found four and three spatial groupings in radial velocity and distance variables, respectively, corresponding to the Local arm, the central clusters forming the associations and the Perseus arm, respectively.

  2. Crystal structures of an O-like blue form and an anion-free yellow form of pharaonis halorhodopsin.

    Science.gov (United States)

    Kanada, Soun; Takeguchi, Yuu; Murakami, Midori; Ihara, Kunio; Kouyama, Tsutomu

    2011-10-14

    Halorhodopsin from Natronomonas pharaonis (pHR) was previously crystallized into a monoclinic space group C2, and the structure of the chloride-bound purple form was determined. Here, we report the crystal structures of two chloride-free forms of pHR, that is, an O-like blue form and an M-like yellow form. When the C2 crystal was soaked in a chloride-free alkaline solution, the protein packing was largely altered and the yellow form containing all-trans retinal was generated. Upon neutralization, this yellow form was converted into the blue form. From structural comparison of the different forms of pHR, it was shown that the removal of a chloride ion from the primary binding site (site I), which is located between the retinal Schiff base and Thr126, is accompanied by such a deformation of helix C that the side chain of Thr126 moves toward helix G, leading to a significant shrinkage of site I. A large structural change is also induced in the chloride uptake pathway, where a flip motion of the side chain of Glu234 is accompanied by large movements of the surrounding aromatic residues. Irrespective of different charge distributions at the active site, there was no large difference in the structures of the yellow form and the blue form. It is shown that the yellow-to-purple transition is initiated by the entrance of one water and one HCl to the active site, where the proton and the chloride ion in HCl are transferred to the Schiff base and site I, respectively. Copyright © 2011 Elsevier Ltd. All rights reserved.

  3. Crystal structure of inactive form of Rab3B

    International Nuclear Information System (INIS)

    Zhang, Wei; Shen, Yang; Jiao, Ronghong; Liu, Yanli; Deng, Lingfu; Qi, Chao

    2012-01-01

    Highlights: ► This is the first structural information of human Rab3B. ► To provides a structural basis for the GDP/GTP switch in controlling the activity of Rab3. ► The charge distribution of Rab3B indicates its unique roles in vesicular trafficking. -- Abstract: Rab proteins are the largest family of ras-related GTPases in eukaryotic cells. They act as directional molecular switches at membrane trafficking, including vesicle budding, cargo sorting, transport, tethering, and fusion. Here, we generated and crystallized the Rab3B:GDP complex. The structure of the complex was solved to 1.9 Å resolution and the structural base comparison with other Rab3 members provides a structural basis for the GDP/GTP switch in controlling the activity of small GTPase. The comparison of charge distribution among the members of Rab3 also indicates their different roles in vesicular trafficking.

  4. Multi-Scalar Modelling for Free-form Timber Structures

    DEFF Research Database (Denmark)

    Poinet, Paul; Nicholas, Paul; Tamke, Martin

    2016-01-01

    in the segmentation strategy of glue-laminated timber structures that depend on structural requirements and the different types of constraints related to fabrication, transportation and assembly. Where current working practices decouple segmentation processes within a discrete digital workflow, this research aims...... to integrate and negotiate the different parameters that drive the same segmentation strategy within a continuous environment. The research is developed in close collaboration with two industry partners – Buro Happold and DesignToProduction – and focuses on the implementation of Multi-Scalar Modelling concepts...

  5. Efficient Design And Fabrication Of Free-Form Reciprocal Structures

    DEFF Research Database (Denmark)

    Parigi, Dario; Kirkegaard, Poul Henning

    2013-01-01

    Structures based on the principle of reciprocity have been autonomously studied and used since the antiquity on the basis of different needs and purposes. The application of the principle of reciprocity requires the presence of at least two elements, at the same time both supporting and being sup......-notched wooden sticks of 22mm of diameter; this paper describes the overall process from the design to the fabrication....

  6. Optimizing Interacting Potentials to Form Targeted Materials Structures

    Energy Technology Data Exchange (ETDEWEB)

    Torquato, Salvatore [Princeton Univ., NJ (United States)

    2015-09-28

    Conventional applications of the principles of statistical mechanics (the "forward" problems), start with particle interaction potentials, and proceed to deduce local structure and macroscopic properties. Other applications (that may be classified as "inverse" problems), begin with targeted configurational information, such as low-order correlation functions that characterize local particle order, and attempt to back out full-system configurations and/or interaction potentials. To supplement these successful experimental and numerical "forward" approaches, we have focused on inverse approaches that make use of analytical and computational tools to optimize interactions for targeted self-assembly of nanosystems. The most original aspect of our work is its inherently inverse approach: instead of predicting structures that result from given interaction potentials among particles, we determine the optimal potential that most robustly stabilizes a given target structure subject to certain constraints. Our inverse approach could revolutionize the manner in which materials are designed and fabricated. There are a number of very tangible properties (e.g. zero thermal expansion behavior), elastic constants, optical properties for photonic applications, and transport properties.

  7. Crystallization and Characterization of Galdieria sulphuraria RUBISCO in Two Crystal Forms: Structural Phase Transition Observed in P21 Crystal Form

    Directory of Open Access Journals (Sweden)

    Boguslaw Stec

    2007-10-01

    Full Text Available We have isolated ribulose-1,5-bisphosphate-carboxylase/oxygenase (RUBISCOfrom the red algae Galdieria Sulphuraria. The protein crystallized in two different crystalforms, the I422 crystal form being obtained from high salt and the P21 crystal form beingobtained from lower concentration of salt and PEG. We report here the crystallization,preliminary stages of structure determination and the detection of the structural phasetransition in the P21 crystal form of G. sulphuraria RUBISCO. This red algae enzymebelongs to the hexadecameric class (L8S8 with an approximate molecular weight 0.6MDa.The phase transition in G. sulphuraria RUBISCO leads from two hexadecamers to a singlehexadecamer per asymmetric unit. The preservation of diffraction power in a phasetransition for such a large macromolecule is rare.

  8. Reverse Kebab Structure Formed inside Carbon Nanofibers via Nanochannel Flow.

    Science.gov (United States)

    Nie, Min; Kalyon, Dilhan M; Fisher, Frank T

    2015-09-15

    The morphology of polymers inside a confined space has raised great interest in recent years. However, polymer crystallization within a one-dimensional carbon nanostructure is challenging due to the difficulty of polar solvents carrying polymers to enter a nonpolar graphitic nanotube in bulk solution at normal temperature and pressure. Here we describe a method whereby nylon-11 was crystallized and periodically distributed on the individual graphitic nanocone structure within hollow carbon nanofibers (CNF). Differential scanning calorimetry and X-ray diffraction indicate that the nylon polymer is in the crystalline phase. A mechanism is suggested for the initiation of nanochannel flow in a bulk solvent as a prerequisite condition to achieve interior polymer crystallization. Selective etching of polymer crystals on the outer wall of CNF indicates that both surface tension and viscosity affect the flow within the CNF. This approach provides an opportunity for the interior functionalization of carbon nanotubes and nanofibers for applications in the biomedical, energy, and related fields.

  9. Electronic structures of interfacial states formed at polymeric semiconductor heterojunctions

    Science.gov (United States)

    Huang, Ya-Shih; Westenhoff, Sebastian; Avilov, Igor; Sreearunothai, Paiboon; Hodgkiss, Justin M.; Deleener, Caroline; Friend, Richard H.; Beljonne, David

    2008-06-01

    Heterojunctions between organic semiconductors are central to the operation of light-emitting and photovoltaic diodes, providing respectively for electron-hole capture and separation. However, relatively little is known about the character of electronic excitations stable at the heterojunction. We have developed molecular models to study such interfacial excited electronic excitations that form at the heterojunction between model polymer donor and polymer acceptor systems: poly(9,9-dioctylfluorene-co-bis-N,N-(4-butylphenyl)-bis-N,N-phenyl-1,4-phenylenediamine) (PFB) with poly(9,9-dioctylfluorene-co-benzothiadiazole) (F8BT), and poly(9,9-dioctylfluorene-co-N-(4-butylphenyl)diphenylamine) (TFB) with F8BT. We find that for stable ground-state geometries the excited state has a strong charge-transfer character. Furthermore, when partly covalent, modelled radiative lifetimes (~10-7s) and off-chain axis polarization (30∘) match observed `exciplex' emission. Additionally for the PFB:F8BT blend, geometries with fully ionic character are also found, thus accounting for the low electroluminescence efficiency of this system.

  10. Anisotropy of magnetoviscous effect in structure-forming ferrofluids

    Science.gov (United States)

    Sreekumari, Aparna; Ilg, Patrick

    2015-07-01

    The magnetoviscous effect, change in viscosity with change in magnetic field strength, and the anisotropy of the magnetoviscous effect, change in viscosity with orientation of magnetic field, have been a focus of interest for four decades. A satisfactory understanding of the microscopic origin of anisotropy of the magnetoviscous effect in magnetic fluids is still a matter of debate and a field of intense research. Here, we present an extensive simulation study to understand the relation between the anisotropy of the magnetoviscous effect and the underlying change in microstructures of ferrofluids. Our results indicate that field-induced chainlike structures respond very differently depending on their orientation relative to the direction of an externally applied shear flow, which leads to a pronounced anisotropy of viscosity. In this work, we focus on three exemplary values of dipolar interaction strengths which correspond to weak, intermediate, and strong interactions between dipolar colloidal particles. We compare our simulation results with an experimental study on cobalt-based ferrofluids as well as with an existing theoretical model called the chain model. A nonmonotonic behavior in the anisotropy of the magnetoviscous effect is observed with increasing dipolar interaction strength and is explained in terms of microstructure formation.

  11. Extracting energy and structure properties of glass-forming liquids from structural relaxation time.

    Science.gov (United States)

    Wang, Lianwen

    2012-04-18

    A comprehensive examination of the kinetic liquid model (Wang et al 2010 J. Phys.: Condens. Matter 22 455104) is carried out by fitting the structural relaxation time of 26 different glass-forming liquids in a wide temperature range, including most of the well-studied materials. Careful analysis of the compiled reported data reveals that experimental inaccuracies should not be overlooked in any 'benchmark test' of relating theories or models (e.g. in Lunkenheimer et al 2010 Phys. Rev. E 81 051504). The procedure, accuracy, ability, and efficiency of the kinetic liquid model are discussed in detail and in comparison with other available fitting methods. In general, the kinetic liquid model could be verified by 17 of the 26 compiled data sets and can serve as a meaningful approximative method for analyzing these liquids. Nonetheless, further experimental examinations in a wide temperature range are needed and are called for. Through fitting, the microscopic details of these liquids are extracted, namely, the enthalpy, entropy, and cooperativity in structural relaxation, which may facilitate further quantitative analysis to both the liquidus and glassy states of these materials.

  12. Raman spectroscopy used for structural investigations of anodically formed ZrO2

    International Nuclear Information System (INIS)

    Koneska, Zagorka; Arsova, Irena

    2003-01-01

    The structure of the oxide formed on Zr(99% + Hf) with anodic oxidation at different potentials in 1 mol/dm 3 H 3 PO 4 and 2 mol/dm 3 KOH solutions were investigated using Raman spectroscopy. Normally the anodic oxides of Zr form only crystals. Under certain circumstances, amorphous anodic ZrO 2 can be observed. Amorphous phase is observed for the anodically formed zirconium oxides in H 3 PO 4 . The oxide formed in KOH at potential of 80 V, where sparks appears on the Zr electrode showed crystalline structure. (Original)

  13. Structural studies of disordered Mg2NiH4 formed by mechanical grinding

    DEFF Research Database (Denmark)

    Rönnebro, Ewa; Jensen, Jens Oluf; Noréus, Dag

    1999-01-01

    The low temperature phase of Mg2NiH4 was mechanically ground in argon atmosphere. The ordered monoclinic structure was destroyed to form the disordered cubic structure, previously only found above 510 K. With a Guinier-Hagg X-ray camera the cell parameter was determined to be a=6.492(3) Angstrom...

  14. Crystalline structures of poly(L-lactide) formed under pressure and structure transitions with heating

    DEFF Research Database (Denmark)

    Huang, Shaoyong; Li, Hongfei; Yu, Donghong

    2013-01-01

    The isothermally crystallized poly(L-lactide) (PLLA) samples were obtained at 135 °C under pressures (Pc) ranging from 1 bar to 2.5 kbar. The crystalline structures, the structure transition, and thermal properties of the prepared samples were investigated by wide-angle X-ray diffraction (WAXD...

  15. Linking structure to fragility in bulk metallic glass-forming liquids

    International Nuclear Information System (INIS)

    Wei, Shuai; Stolpe, Moritz; Gross, Oliver; Gallino, Isabella; Hembree, William; Busch, Ralf; Evenson, Zach; Bednarcik, Jozef; Kruzic, Jamie J.

    2015-01-01

    Using in-situ synchrotron X-ray scattering, we show that the structural evolution of various bulk metallic glass-forming liquids can be quantitatively connected to their viscosity behavior in the supercooled liquid near T g . The structural signature of fragility is identified as the temperature dependence of local dilatation on distinct key atomic length scales. A more fragile behavior results from a more pronounced thermally induced dilatation of the structure on a length scale of about 3 to 4 atomic diameters, coupled with shallower temperature dependence of structural changes in the nearest neighbor environment. These findings shed light on the structural origin of viscous slowdown during undercooling of bulk metallic glass-forming liquids and demonstrate the promise of predicting the properties of bulk metallic glasses from the atomic scale structure

  16. Quantitative characterization of the atomic-scale structure of oxyhydroxides in rusts formed on steel surfaces

    International Nuclear Information System (INIS)

    Saito, M.; Suzuki, S.; Kimura, M.; Suzuki, T.; Kihira, H.; Waseda, Y.

    2005-01-01

    Quantitative X-ray structural analysis coupled with anomalous X-ray scattering has been used for characterizing the atomic-scale structure of rust formed on steel surfaces. Samples were prepared from rust layers formed on the surfaces of two commercial steels. X-ray scattered intensity profiles of the two samples showed that the rusts consisted mainly of two types of ferric oxyhydroxide, α-FeOOH and γ-FeOOH. The amounts of these rust components and the realistic atomic arrangements in the components were estimated by fitting both the ordinary and the environmental interference functions with a model structure calculated using the reverse Monte Carlo simulation technique. The two rust components were found to be the network structure formed by FeO 6 octahedral units, the network structure itself deviating from the ideal case. The present results also suggest that the structural analysis method using anomalous X-ray scattering and the reverse Monte Carlo technique is very successful in determining the atomic-scale structure of rusts formed on the steel surfaces

  17. Structure, Solubility and Stability of Orbifloxacin Crystal Forms: Hemihydrate versus Anhydrate

    Directory of Open Access Journals (Sweden)

    Olimpia Maria Martins Santos

    2016-03-01

    Full Text Available Orbifloxacin (ORBI is a widely used antimicrobial drug of the fluoroquinolone class. In the official pharmaceutical compendia the existence of polymorphism in this active pharmaceutical ingredient (API is reported. No crystal structure has been reported for this API and as described in the literature, its solubility is very controversial. Considering that different solid forms of the same API may have different physicochemical properties, these different solubilities may have resulted from analyses inadvertently carried out on different polymorphs. The solubility is the most critical property because it can affect the bioavailability and may compromise the quality of a drug product. The crystalline structure of ORBI determined by SCXRD is reported here for the first time. The structural analysis reveals that the ORBI molecule is zwitterionic and hemihydrated. ORBI hemihydrated form was characterized by the following techniques: TG/DTA, FTIR-ATR, and PXRD. A second crystalline ORBI form is also reported: the ORBI anhydrous form was obtained by heating the hemihydrate. These ORBI solid forms were isomorphous, since no significant change in unit cell and space group symmetry were observed. The solid-state phase transformation between these forms is discussed and the equilibrium solubility data were examined in order to check the impact of the differences observed in their crystalline structures.

  18. An ontology-driven tool for structured data acquisition using Web forms.

    Science.gov (United States)

    Gonçalves, Rafael S; Tu, Samson W; Nyulas, Csongor I; Tierney, Michael J; Musen, Mark A

    2017-08-01

    Structured data acquisition is a common task that is widely performed in biomedicine. However, current solutions for this task are far from providing a means to structure data in such a way that it can be automatically employed in decision making (e.g., in our example application domain of clinical functional assessment, for determining eligibility for disability benefits) based on conclusions derived from acquired data (e.g., assessment of impaired motor function). To use data in these settings, we need it structured in a way that can be exploited by automated reasoning systems, for instance, in the Web Ontology Language (OWL); the de facto ontology language for the Web. We tackle the problem of generating Web-based assessment forms from OWL ontologies, and aggregating input gathered through these forms as an ontology of "semantically-enriched" form data that can be queried using an RDF query language, such as SPARQL. We developed an ontology-based structured data acquisition system, which we present through its specific application to the clinical functional assessment domain. We found that data gathered through our system is highly amenable to automatic analysis using queries. We demonstrated how ontologies can be used to help structuring Web-based forms and to semantically enrich the data elements of the acquired structured data. The ontologies associated with the enriched data elements enable automated inferences and provide a rich vocabulary for performing queries.

  19. Long and short range order structural analysis of In-situ formed biphasic calcium phosphates.

    Science.gov (United States)

    Kim, Dong-Hyun; Hwang, Kyu-Hong; Lee, Ju Dong; Park, Hong-Chae; Yoon, Seog-Young

    2015-01-01

    Biphasic calcium phosphates (BCP) have attracted considerable attention as a bone graft substitute. In this study, BCP were prepared by aqueous co-precipitation and calcination method. The crystal phases of in-situ formed BCP consisting of hydroxyapatite (HAp) and β-tricalcium phosphate (β-TCP) were controlled by the degree of calcium deficiency of precursors. The long and short range order structures of biphasic mixtures was investigated using Rietveld refinement technique and high resolution Raman spectroscopy. The refined structural parameters of in-situ formed BCP confirmed that all the investigated structures have crystallized in the corresponding hexagonal (space group P63/m) and rhombohedral (space group R3c) structures. The crystal phases, Ca/P molar ratio, and lattice parameters of in-situ formed BCP consisting of HAp and β-TCP were controlled by the degree of calcium deficiency of calcium phosphate precursors. The significant short range order structural change of BCP was determined by Raman analysis. The long and short range order structural changes of in-situ formed BCP might be due to the coexistence of β-TCP and HAp crystal phases.

  20. Surface Structures Formed by a Copper(II Complex of Alkyl-Derivatized Indigo

    Directory of Open Access Journals (Sweden)

    Akinori Honda

    2016-10-01

    Full Text Available Assembled structures of dyes have great influence on their coloring function. For example, metal ions added in the dyeing process are known to prevent fading of color. Thus, we have investigated the influence of an addition of copper(II ion on the surface structure of alkyl-derivatized indigo. Scanning tunneling microscope (STM analysis revealed that the copper(II complexes of indigo formed orderly lamellar structures on a HOPG substrate. These lamellar structures of the complexes are found to be more stable than those of alkyl-derivatized indigos alone. Furthermore, 2D chirality was observed.

  1. Experiences of Social and Structural Forms of Stigma Among Chinese Immigrant Consumers with Psychosis.

    Science.gov (United States)

    Cheng, Zhen Hadassah; Tu, Ming-Che; Li, Vanessa A; Chang, Rachel W; Yang, Lawrence Hsin

    2015-12-01

    Chinese immigrants tend to rely on family and close community for support given their vulnerable societal position. Yet stigma, especially from structural and familial sources, may have a particularly harmful impact upon Chinese immigrants with psychosis. Using a descriptive analysis based upon grounded theory, we examined stigma experiences of 50 Chinese immigrant consumers with psychosis, paying particular attention to frequency, sources, and themes of social and structural stigma. Although past research indicates that family is a recipient of stigma, we found instead that family members were common perpetuators of social forms of stigma. We also found that perceptions of work deficit underlie many forms of stigma, suggesting this is "what matters most" in this community. Lack of financial resources and language barriers comprised most frequent forms of structural stigma. Anti-stigma efforts should aim to improve consumer's actual and perceived employability to target what is most meaningful in Chinese immigrant communities.

  2. Crystal structure of CsNaX-zeolite in hydrated and dehydrated forms

    International Nuclear Information System (INIS)

    Butikova, I.K.; Shepelev, Yu.F.; Smolin, Yu.I.

    1989-01-01

    The crystal structure of CsNaX-zeolite is determined by roentgenography in hydrated and dehydrated (400 deg C) forms on NaX-zeolite monocrystal modified by the Na + and Cs + ion exchange. Cs + ions in the hydrated form are located in a big cavity in S2 positions opposite 6-member cubooctahedron rings and S3 beside 12-member windows connecting big cavities. During dehydration Cs + ions pass through 6-member windows into cubooctahedron and in the hexagonal prism

  3. Magnetic form factors of the trinucleons

    Energy Technology Data Exchange (ETDEWEB)

    Schiavilla, R; Pandharipande, V R; Riska, Dan-Olof

    1989-11-01

    The magnetic form factors of 3H and 3He are calculated with the Monte Carlo method from variational ground-state wave functions obtained for the Argonne and Urbana two- and three-nucleon interactions. The electromagnetic current operator contains one- and two-body terms that are constructed so as to satisfy the continuity equation with the two-nucleon potential in the Hamiltonian. The results obtained with the Argonne two-nucleon interaction are in overall agreement with the empirical values. It appears that the remaining theoretical uncertainty, in the calculation of these form factors from a given interaction model, is dominated by that in the electromagnetic form factors of the nucleon. It is found that the isovector magnetic form factors are rather sensitive to the details of the isospin-dependent tensor force, and they are much better reproduced with the Argonne than the Urbana potential. The isoscalar magnetic form factors appear to be sensitive to the spin-orbit interactions, and are better reproduced with the Urbana potential. The Argonne potential has a stronger τ1∙τ2 tensor force, while the Urbana one has a shorter-range spin-orbit interaction.

  4. Structure and dynamics of the retro-form of the bacteriophage T5 endolysin.

    Science.gov (United States)

    Kutyshenko, Victor P; Mikoulinskaia, Galina V; Molochkov, Nikolai V; Prokhorov, Dmitry A; Taran, Sergei A; Uversky, Vladimir N

    2016-10-01

    Using high-resolution NMR spectroscopy we conducted a comparative analysis of the structural and dynamic properties of the bacteriophage T5 endolysin (EndoT5) and its retro-form; i.e., a protein with the reversed direction of the polypeptide chain (R-EndoT5). We show that structurally, retro-form can be described as the molten globule-like polypeptide that is easily able to form large oligomers and aggregates. To avoid complications associated with this high aggregation propensity of the retro protein, we compared EndoT5 and R-EndoT5 in the presence of strong denaturants. This analysis revealed that these two proteins possess different internal dynamics in solutions containing 8M urea, with the retro-form being characterized by larger dimensions and slower internal dynamics. We also show that in the absence of denaturant, both forms of the bacteriophage T5 endolysin are able to interact with micelles formed by the zwitterionic detergent dodecylphosphocholine (DPC), and that the formation of the protein-micelle complexes leads to the significant structural rearrangement of polypeptide chain and to the formation of stable hydrophobic core in the R-Endo T5. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Data on structural transitions in domains of hordeivirus TGB1 protein forming ribonucleoprotein complex

    Directory of Open Access Journals (Sweden)

    Valentin V. Makarov

    2016-09-01

    Full Text Available This data article is related to the research article entitled “in vitro properties of hordeivirus TGB1 protein forming ribonucleoprotein complexes” (Makarov et al., 2015 [1], demonstrating that upon incubation with viral RNA the poa semilatent hordeivirus (PSLV TGB1 protein (the movement 63 K protein encoded by the first gene of the triple gene block in vitro forms RNP structures resembling filamentous virus-like particles and its internal domain (ID performs a major structural role in this process. This article reports the additional results on the structural lability of ID and the structural transitions in the C-terminal NTPase/helicase domain (HELD induced by interaction with tRNA and phosphorylation.

  6. Research Status on Reinforcement Connection Form of Precast Concrete Shear Wall Structure

    Science.gov (United States)

    Zhang, Zhuangnan; Zhang, Yan

    2018-03-01

    With the rapid development of Chinese economy and the speeding up the process of urbanization, housing industrialization has been paid more and more attention. And the fabricated structure has been widely used in China. The key of precast concrete shear wall structure is the connection of precast components. The reinforcement connection can directly affect the entirety performance and seismic behavior of the structure. Different reinforcement connections have a great impact on the overall behavior of the structure. By studying the characteristics of the reinforcement connection forms used in the vertical connection and horizontal connection of precast concrete shear wall, it can provide reference for the research and development of the reinforcement connection forms in the future.

  7. Stability of linear systems in second-order form based on structure preserving similarity transformations

    DEFF Research Database (Denmark)

    Stoustrup, Jakob; Pommer, Christian; Kliem, Wolfhard

    2015-01-01

    of the transformation parameters into a new system (I, B 1, C 1) with a symmetrizable matrix C 1. This procedure facilitates stability investigations. We also consider systems with a Hamiltonian spectrum which discloses marginal stability after a Jordan form preserving transformation.......This paper deals with two stability aspects of linear systems of the form Ix¨+Bx˙+Cx=0 given by the triple (I, B, C). A general transformation scheme is given for a structure and Jordan form preserving transformation of the triple. We investigate how a system can be transformed by suitable choices...

  8. Factor Structure and Psychometric Properties of the Young Schema Questionnaire (Short Form) in Chinese Undergraduate Students

    Science.gov (United States)

    Cui, Lixia; Lin, Wenwen; Oei, Tian P. S.

    2011-01-01

    This study investigated cross-cultural differences in the factor structure and psychometric properties of the Young Schema Questionnaire (short form; YSQ-SF). The participants were 712 Chinese undergraduate students. The total sample was randomly divided into two sub-samples. Exploratory Factor Analysis (EFA) was conducted on questionnaire results…

  9. A resource-based theory of market structure and organizational form

    NARCIS (Netherlands)

    van Witteloostuijn, A.; Boone, C.A.J.J.

    We argue that combining the insights from both the industrial organization and organizational ecology perspectives is likely to produce value added. We develop a resource-based theory of market structure, where resources pertain to the environmental assets (together forming the resource space)

  10. Structure, diversity and evolution of protein toxins from spore-forming entomopathogenic bacteria

    NARCIS (Netherlands)

    Maagd, de R.A.; Bravo, A.; Berry, C.; Crickmore, N.; Schnepf, H.E.

    2003-01-01

    Gram-positive spore-forming entomopathogenic bacteria can utilize a large variety of protein toxins to help them invade, infect, and finally kill their hosts, through their action on the insect midgut. These toxins belong to a number of homology groups containing a diversity of protein structures

  11. On the structure of the space of geometric product-form models

    NARCIS (Netherlands)

    Bayer, Nimrod; Boucherie, Richardus J.

    2002-01-01

    This article deals with Markovian models defined on a finite-dimensional discrete state space and possess a stationary state distribution of a product-form. We view the space of such models as a mathematical object and explore its structure. We focus on models on an orthant [script Z]+n, which are

  12. Study of silicon nanofibrous structure formed by femtosecond laser irradiation in air.

    Science.gov (United States)

    Manickam, Sivakumar; Venkatakrishnan, Krishnan; Tan, Bo; Venkataramanan, Venkat

    2009-08-03

    In this study, we report first time the effect of laser pulse repetition frequency and pulse width of femtosecond laser radiation on silicon nanofibrous structure formation under ambient condition. Surface nanotexture analysis revealed the changes in fibrous structure density and size in respect of laser pulse width and repetition frequency. A phonon confinement model is used to explain the Raman spectra of processed specimens in order to understand the structure details of nanofibrous structure and hence to support the surface nanotexture analysis. The present investigation leads to a conclusion that nanofibrous structure is formed due to the aggregation of silicon nanoparticles and their size is estimated using the confinement model which is in the order of few nanometers.

  13. Golden Root Geometry Structuring the Polyhedra and Other Forms Via Plato’s Triangles

    Directory of Open Access Journals (Sweden)

    Panagiotis Chr. Stefanides

    2014-11-01

    Full Text Available Under Golden Root Geometry Structuring the Polyhedra and other Forms Via Plato’s Triangles, we refer to the basic geometric configurations which, as this theory contemplates, are necessary for the progressive mode of formation of the five polyhedral and the geometries involved in their sections and related circles and further to logarithms, via lines, areas and volumes. Basis of all these structures is a very special Scalene Orthogonal Triangle “Plato’s Most Beautiful” [F25], together with his Orthogonal Isosceles one. Structural Forms are identified bearing in common these triangular identities. The particular angle of the Scalene Orthogonal is that whose ArcTan[Θ]=Τ and T = SQR ((SQR. (5 + 1/2.

  14. Fortuitous structure determination of ‘as-isolated’ Escherichia coli bacterioferritin in a novel crystal form

    International Nuclear Information System (INIS)

    Eerde, André van; Wolterink-van Loo, Suzanne; Oost, John van der; Dijkstra, Bauke W.

    2006-01-01

    E. coli bacterioferritin was crystallized in a novel crystal form from different conditions and the structure was solved. The crystals belonged to space group P2 1 3 and diffracted to a resolution of 2.5 Å. Escherichia coli bacterioferritin was serendipitously crystallized in a novel cubic crystal form and its structure could be determined to 2.5 Å resolution despite a high degree of merohedral twinning. This is the first report of crystallographic data on ‘as-isolated’ E. coli bacterioferritin. The ferroxidase active site contains positive difference density consistent with two metal ions that had co-purified with the protein. X-ray fluorescence studies suggest that the metal composition is different from that of previous structures and is a mix of zinc and native iron ions. The ferroxidase-centre configuration displays a similar flexibility as previously noted for other bacterioferritins

  15. Structure of a second crystal form of Bence-Jones protein Loc: Strikingly different domain associations in two crystal forms of a single protein

    International Nuclear Information System (INIS)

    Schiffer, M.; Ainsworth, C.; Xu, Z.B.; Carperos, W.; Olsen, K.; Solomon, A.; Stevens, F.J.; Chang, C.H.

    1989-01-01

    The authors have determined the structure of the immunoglobulin light-chain dimer Loc in a second crystal form that was grown from distilled water. The crystal structure was determined to 2.8-angstrom resolution; the R factor is 0.22. The two variable domains are related by local 2-fold axes and form an antigen binding pocket. The variable domain-variable domain interaction observed in this crystal form differs from the one exhibited by the protein when crystallized from ammonium sulfate in which the two variable domains formed a protrusion. The structure attained in the distilled water crystals is similar to, but not identical with, the one observed for the Mcg light-chain dimer in crystals grown from ammonium sulfate. Thus, two strikingly different structures were attained by this multisubunit protein in crystals grown under two different, commonly used, crystallization techniques. The quaternary interactions exhibited by the protein in the two crystal forms are sufficiently different to suggest fundamentally different interpretations of the structural basis for the function of this protein. This observation may have general implications regarding the use of single crystallographic determinations for detailed identification of structural and functional relationships. On the other hand, proteins whose structures can be altered by manipulation of crystallization conditions may provide useful systems for study of fundamental structural chemistry

  16. Co thin film with metastable bcc structure formed on GaAs(111 substrate

    Directory of Open Access Journals (Sweden)

    Minakawa Shigeyuki

    2014-07-01

    Full Text Available Co thin films are prepared on GaAs(111 substrates at temperatures ranging from room temperature to 600 ºC by radio-frequency magnetron sputtering. The growth behavior and the detailed resulting film structure are investigated by in-situ reflection high-energy electron diffraction and X-ray diffraction. In early stages of film growth at temperatures lower than 200 ºC, Co crystals with metastable A2 (bcc structure are formed, where the crystal structure is stabilized through hetero-epitaxial growth. With increasing the film thickness beyond 2 nm, the metastable structure starts to transform into more stable A1 (fcc structure through atomic displacements parallel to the A2{110} close-packed planes. The crystallographic orientation relationship between the A2 and the transformed A1 crystals is A1{111} || A2{110}. When the substrate temperature is higher than 400 ºC, Ga atoms of substrate diffuse into the Co films and a Co-Ga alloy with bcc-based ordered structure of B2 is formed.

  17. Modelling the elastic scattering in diagnostic radiology: the importance of structure form factors

    Science.gov (United States)

    Cardoso, S. C.; Gonçalves, O. D.; Schechter, H.; Eichler, J.

    2003-07-01

    The importance of structure form factors in describing elastic scattering in diagnostic radiology was studied through a Monte Carlo code built to reproduce scattering in large water samples. The code, developed by us, considers all relevant interactions, including multiple scattering and interference due to scattering by the liquid structure. Geometrical conditions and energies similar to those found in radiology were used. The secondary to primary radiation ratio using the usual free atom approximation and the structure form factor was obtained and both approaches were compared. Calculations of radiological parameters such as the angular distribution of photons incident on the detector and the fraction of scattered photons stopped by anti-scattering grids were also performed considering mammography, thorax and abdomen radiography conditions. The results have shown that S(beta)/P depends on the experimental set-up, being more important for low momentum transfers and sample sizes for which the multiple scattering is not expected to be significant, as in the case of mammography. It was also verified that large samples increase the probability of multiple scattering, masking the structure peak in S(beta) and making the sample structure important just for relatively thin samples. Considering mammography-like geometry, the maximum of the S(beta)/P distribution considering structure form factors occurs around 15° while the correspondent maximum without considering the structure factors occurs around 10° for any sample thickness. S(beta)/P is almost independent of the irradiation field, with the maximum remaining at 15° and 10° for the SFF and FAFF, respectively. The cases studied in this paper stress some conditions in which it is mandatory to use SFF, but since it requires no further significant efforts, the SFF approach is recommended as a standard procedure when describing the elastic scattering process in radiology.

  18. Structural basis for pore-forming mechanism of staphylococcal α-hemolysin.

    Science.gov (United States)

    Sugawara, Takaki; Yamashita, Daichi; Kato, Koji; Peng, Zhao; Ueda, Junki; Kaneko, Jun; Kamio, Yoshiyuki; Tanaka, Yoshikazu; Yao, Min

    2015-12-15

    Staphylococcal α-hemolysin (α-HL) is a β-barrel pore-forming toxin (PFT) expressed by Staphylococcus aureus. α-HL is secreted as a water-soluble monomeric protein, which binds to target membranes and forms membrane-inserted heptameric pores. To explore the pore-forming mechanism of α-HL in detail, we determined the crystal structure of the α-HL monomer and prepore using H35A mutant and W179A/R200A mutant, respectively. Although the overall structure of the monomer was similar to that of other staphylococcal PFTs, a marked difference was observed in the N-terminal amino latch, which bent toward the prestem. Moreover, the prestem was fastened by the cap domain with a key hydrogen bond between Asp45 and Tyr118. Prepore structure showed that the transmembrane region is roughly formed with flexibility, although the upper half of the β-barrel is formed appropriately. Structure comparison among monomer, prepore and pore revealed a series of motions, in which the N-terminal amino latch released upon oligomerization destroys its own key hydrogen bond between Asp45-Tyr118. This action initiated the protrusion of the prestem. Y118F mutant and the N-terminal truncated mutant markedly decreased in the hemolytic activity, indicating the importance of the key hydrogen bond and the N-terminal amino latch on the pore formation. Based on these observations, we proposed a dynamic molecular mechanism of pore formation for α-HL. Copyright © 2015 Elsevier Ltd. All rights reserved.

  19. Structural origin of fractional Stokes-Einstein relation in glass-forming liquids.

    Science.gov (United States)

    Pan, Shaopeng; Wu, Z W; Wang, W H; Li, M Z; Xu, Limei

    2017-01-06

    In many glass-forming liquids, fractional Stokes-Einstein relation (SER) is observed above the glass transition temperature. However, the origin of such phenomenon remains elusive. Using molecular dynamics simulations, we investigate the break- down of SER and the onset of fractional SER in a model of metallic glass-forming liquid. We find that SER breaks down when the size of the largest cluster consisting of trapped atoms starts to increase sharply at which the largest cluster spans half of the simulations box along one direction, and the fractional SER starts to follows when the largest cluster percolates the entire system and forms 3-dimentional network structures. Further analysis based on the percolation theory also confirms that percolation occurs at the onset of the fractional SER. Our results directly link the breakdown of the SER with structure inhomogeneity and onset of the fraction SER with percolation of largest clusters, thus provide a possible picture for the break- down of SER and onset of fractional SER in glass-forming liquids, which is is important for the understanding of the dynamic properties in glass-forming liquids.

  20. Structural and Vibrational Study on Monomer and Dimer Forms and Water Clusters of Acetazolamide

    Directory of Open Access Journals (Sweden)

    Aysen E. Ozel

    2013-01-01

    Full Text Available Experimental IR and Raman spectra of solid acetazolamide have been analysed by computing the molecular structures and vibrational spectra of monomer and dimer forms and water clusters of acetazolamide. The possible stable conformers of free acetazolamide molecule in the ground state were obtained by scanning the potential energy surface through the dihedral angles, D1 (1S-2C-6S-9N, D2 (4N-5C-12N-14C, and D3 (5C-12N-14C-16C. The final geometry parameters for the obtained stable conformers were determined by means of geometry optimization, carried out at DFT/B3LYP/6-31G++(d,p theory level. Afterwards the possible dimer forms of the molecule and acetazolamide-H2O clusters were formed and their energetically preferred conformations were investigated using the same method and the same level of theory. The effect of BSSE on the structure and energy of acetazolamide dimer has been investigated. The assignment of the vibrational modes was performed based on the potential energy distribution of the vibrational modes, calculated by using GAR2PED program. The experimental vibrational wavenumbers of solid acetazolamide are found to be in better agreement with the calculated wavenumbers of dimer form of acetazolamide than those of its monomeric form. NBO analysis has been performed on both monomer and dimer geometries.

  1. Semiconductor structures having electrically insulating and conducting portions formed from an AlSb-alloy layer

    Science.gov (United States)

    Spahn, O.B.; Lear, K.L.

    1998-03-10

    The semiconductor structure comprises a plurality of semiconductor layers formed on a substrate including at least one layer of a III-V compound semiconductor alloy comprising aluminum (Al) and antimony (Sb), with at least a part of the AlSb-alloy layer being chemically converted by an oxidation process to form superposed electrically insulating and electrically conducting portions. The electrically insulating portion formed from the AlSb-alloy layer comprises an oxide of aluminum (e.g., Al{sub 2}O{sub 3}), while the electrically conducting portion comprises Sb. A lateral oxidation process allows formation of the superposed insulating and conducting portions below monocrystalline semiconductor layers for forming many different types of semiconductor structures having particular utility for optoelectronic devices such as light-emitting diodes, edge-emitting lasers, vertical-cavity surface-emitting lasers, photodetectors and optical modulators (waveguide and surface normal), and for electronic devices such as heterojunction bipolar transistors, field-effect transistors and quantum-effect devices. The invention is expected to be particularly useful for forming light-emitting devices for use in the 1.3--1.6 {mu}m wavelength range, with the AlSb-alloy layer acting to define an active region of the device and to effectively channel an electrical current therein for efficient light generation. 10 figs.

  2. Structural and optical properties of ZnO rods hydrothermally formed on polyethersulfone substrates

    International Nuclear Information System (INIS)

    Shin, Chang Mi; Jang, Jin Tak; Kim, Chang Yong; Ryu, Hyuk Hyun; Lee, Won Jae; Chang, Ji Ho; Son, Chang Sik; Choi, Hee Lack

    2012-01-01

    Various unique ZnO morphologies, such as cigar-like and belt-like structures and microrod and nanorod structures, were formed on flexible polyethersulfone (PES) substrates by using a low temperature hydrothermal route. The structural properties of ZnO depended highly on the precursor concentration. The effect of a thin ZnO seed layer deposited the on PES substrate by using atomic layer deposition on the structural and the optical properties of ZnO hydrothermally grown on the ZnO seed layer/PES substrates was studied. Field emission scanning electron microscopy (FE-SEM), X-ray diffraction (XRD), and photoluminescence (PL) measurements were employed to analyze the characteristics of hydrothermally-grown ZnO. The diameter of the ZnO nanorods grown on the ZnO seed layer/PES substrates increased with increasing precursor concentration from 0.025 to 0.125 M due to the Ostwald ripening process. ZnO hydrothermally-grown on the ZnO seed layer/PES substrates at a low precursor concentration showed better structural properties than ZnO formed without a seed layer. Well-formed ZnO nanorods deposited on the ZnO seed layer/PES substrates showed two PL peaks, one in the ultraviolet and the other in the visible region, whereas horizontally positioned ZnO formed on the PES substrate in the absence of a seed layer emitted only one broad PL peak in the violet region. The ZnO grown on PES substrates in this work can be used as high-quality transparent electrodes for solar cells fabricated on flexible substrates.

  3. Working Memory Training in the Form of Structured Games in Children with Attention Deficit Hyperactivity Disorder

    Directory of Open Access Journals (Sweden)

    Fatemeh Khalili Kermani

    2016-12-01

    Full Text Available Objective: In this study, a new training method of working memory (WM was used in the form of structured games, and the effect of training was evaluated with a controlled design. The training method of WM in the form of structured games includes 20 sets of structured games that can improve WM and performance of executive functions.Method: Sixty children with attention deficit hyperactivity disorder (ADHD aged 8.5 to 11.2 years (35 boys, using no stimulant medication were selected. We randomly assigned 30 participants to the experimental group and provided them with WM training. The training was in the form of structured games and was offered to the participants in two 60-minute sessions weekly for 12 weeks. Other participants were assigned to the control group, receiving no treatment. All the participants were also evaluated at follow-up 6 months later. The main measures were the Child Behavior Checklist (CBCL, the Digit Span and Symbol Search B subscale of the Wechsler Intelligence Scale for Children (WISC-IV; and scores of dictation and mathematics were used in terms of pre and post-test.Results: The results of the t-test revealed a significant improvement in the post-test measures as well as a significant reduction of parents’ reports of inattentiveness, and improvement in academic performance in the experimental group. However, no significant changes were found in the control group.Conclusion: The academic and working memory improvements were primarily due to the training method of WM. Our findings suggest that the training method of WM in the form of structured games may be a practical method for treating children with ADHD, but it needs to be further investigated.

  4. An efficient closed-form solution for acoustic emission source location in three-dimensional structures

    Directory of Open Access Journals (Sweden)

    Xibing Li

    2014-02-01

    Full Text Available This paper presents an efficient closed-form solution (ECS for acoustic emission(AE source location in three-dimensional structures using time difference of arrival (TDOA measurements from N receivers, N ≥ 6. The nonlinear location equations of TDOA are simplified to linear equations. The unique analytical solution of AE sources for unknown velocity system is obtained by solving the linear equations. The proposed ECS method successfully solved the problems of location errors resulting from measured deviations of velocity as well as the existence and multiplicity of solutions induced by calculations of square roots in existed close-form methods.

  5. Nucleon isobars in nuclear structure

    International Nuclear Information System (INIS)

    Green, A.M.

    1978-01-01

    Present day uncertainties in the theory of nuclear matter, which indicate that there is room for the large corrections that appear when Δs are treated explicitly, are considered. The role that the Δ plays in exchange currents, in the two-nucleon potential, and in three-body potentials is examined. The form of the transition potential, generation of isobar configurations and the effect of isobars in few nucleon systems are considered. (U.K.)

  6. Modelling and simulating the forming of new dry automated lay-up reinforcements for primary structures

    Science.gov (United States)

    Bouquerel, Laure; Moulin, Nicolas; Drapier, Sylvain; Boisse, Philippe; Beraud, Jean-Marc

    2017-10-01

    While weight has been so far the main driver for the development of prepreg based-composites solutions for aeronautics, a new weight-cost trade-off tends to drive choices for next-generation aircrafts. As a response, Hexcel has designed a new dry reinforcement type for aircraft primary structures, which combines the benefits of automation, out-of-autoclave process cost-effectiveness, and mechanical performances competitive to prepreg solutions: HiTape® is a unidirectional (UD) dry carbon reinforcement with thermoplastic veil on each side designed for aircraft primary structures [1-3]. One privileged process route for HiTape® in high volume automated processes consists in forming initially flat dry reinforcement stacks, before resin infusion [4] or injection. Simulation of the forming step aims at predicting the geometry and mechanical properties of the formed stack (so-called preform) for process optimisation. Extensive work has been carried out on prepreg and dry woven fabrics forming behaviour and simulation, but the interest for dry non-woven reinforcements has emerged more recently. Some work has been achieved on non crimp fabrics but studies on the forming behaviour of UDs are seldom and deal with UD prepregs only. Tension and bending in the fibre direction, along with inter-ply friction have been identified as the main mechanisms controlling the HiTape® response during forming. Bending has been characterised using a modified Peirce's flexometer [5] and inter-ply friction study is under development. Anisotropic hyperelastic constitutive models have been selected to represent the assumed decoupled deformation mechanisms. Model parameters are then identified from associated experimental results. For forming simulation, a continuous approach at the macroscopic scale has been selected first, and simulation is carried out in the Zset framework [6] using proper shell finite elements.

  7. Generating Free-Form Grid Truss Structures from 3D Scanned Point Clouds

    Directory of Open Access Journals (Sweden)

    Hui Ding

    2017-01-01

    Full Text Available Reconstruction, according to physical shape, is a novel way to generate free-form grid truss structures. 3D scanning is an effective means of acquiring physical form information and it generates dense point clouds on surfaces of objects. However, generating grid truss structures from point clouds is still a challenge. Based on the advancing front technique (AFT which is widely used in Finite Element Method (FEM, a scheme for generating grid truss structures from 3D scanned point clouds is proposed in this paper. Based on the characteristics of point cloud data, the search box is adopted to reduce the search space in grid generating. A front advancing procedure suit for point clouds is established. Delaunay method and Laplacian method are used to improve the quality of the generated grids, and an adjustment strategy that locates grid nodes at appointed places is proposed. Several examples of generating grid truss structures from 3D scanned point clouds of seashells are carried out to verify the proposed scheme. Physical models of the grid truss structures generated in the examples are manufactured by 3D print, which solidifies the feasibility of the scheme.

  8. Reduction of self-heating effect in SOI MOSFET by forming a new buried layer structure

    International Nuclear Information System (INIS)

    Zhu Ming; Lin Qing; Liu Xianghua; Lin Zixin; Zhang Zhengxuan; Lin Chenglu

    2003-01-01

    An inherent self-heating effect of the silicon-on-insulator (SOI) devices limits their application at high current levels. In this paper a novel solution to reduce the self-heating effect is proposed, based on N + and O + co-implantation into silicon wafer to form a new buried layer structure. This new structure was simulated using Medici program, and the temperature distribution and output characteristics were compared with those of the conventional SOI counterparts. As expected, a reduction of self-heating effect in the novel SOI device was observed

  9. The effect of form pressure on the air void structure of SCC

    DEFF Research Database (Denmark)

    Jensen, Mikkel Vibæk; Hasholt, Marianne Tange; Geiker, Mette Rica

    2005-01-01

    The high workability of self-compacting concrete (SCC) invites to high casting rates. However, casting walls at high rate may result in large pressure at the bottom of the form and subsequently compression of the air voids. This paper deals with the influence of hydrostatic pressure during setting...... on the air void structure of hardened, air entrained SCC. The subject was examined through laboratory investigations of SCC with two different amounts of air entrainment. The condition in the form was simulated by using containers making it possible to cure concrete under various pressures corresponding...... to the bottom of castings of 0, 2, 4, and 6 meters height. The laboratory investigations were supplemented with data from two full-scale wall castings. The air void structure of the hardened concretes was determined on plane sections. The results indicate that the pressure related changes of the air void...

  10. Translation-rotation decoupling of tracers of locally favorable structures in glass-forming liquids

    Science.gov (United States)

    Park, Yoonjae; Kim, Jeongmin; Sung, Bong June

    2017-09-01

    Particles in glass-forming liquids may form domains of locally favorable structures (LFSs) upon supercooling. Whether and how the LFS domains would relate to the slow relaxation of the glass-forming liquids have been issues of interest. In this study, we employ tracers of which structures resemble the LFS domains in Wahnström and Kob-Andersen (KA) glass-forming liquids and investigate the translation-rotation decoupling of the tracers. We find that the tracer structure affects how the translation and the rotation of tracers decouple and that information on the local mobility around the LFS domains may be gleaned from the tracer dynamics. According to the Stokes-Einstein relation and the Debye-Stokes-Einstein relation, the ratio of the translational (DT) and rotational (DR) diffusion coefficients is expected to be a constant over a range of T /η , where η and T denote the medium viscosity and temperature, respectively. In supercooled liquids and glasses, however, DT and DR decouple due to dynamic heterogeneity, thus DT/DR not being constant any more. In Wahnström glass-forming liquids, icosahedron LFS domains are the most long-lived ones and the mobility of neighbor particles around the icosahedron LFS domain is suppressed. We find from our simulations that the icosahedron tracers, similar in size and shape to the icosahedron LFS domains, experience drastic translation-rotation decoupling upon cooling. The local mobility of liquid particles around the icosahedron tracers is also suppressed significantly. On the other hand, tracers of FCC and HCP structures do not show translation-rotation decoupling in the Wahnström liquid. In KA glass-forming liquids, bicapped square antiprism LFS domains are the most long-lived LFS domains but are not correlated significantly with the local mobility. We find from our simulations that DT and DR of bicapped square antiprism tracers, also similar in size and shape to the bicapped square antiprism LFS domains, do not decouple

  11. Structure of the dimeric form of CTP synthase from Sulfolobus solfataricus

    DEFF Research Database (Denmark)

    Lauritsen, Iben; Willemoës, Martin; Jensen, Kaj Frank

    2011-01-01

    CTP synthase catalyzes the last committed step in de novo pyrimidine-nucleotide biosynthesis. Active CTP synthase is a tetrameric enzyme composed of a dimer of dimers. The tetramer is favoured in the presence of the substrate nucleotides ATP and UTP; when saturated with nucleotide, the tetramer c....... solfataricus CTP synthase according to a structural alignment with the E. coli enzyme all have large thermal parameters in the dimeric form. Furthermore, they are seen to undergo substantial movement upon tetramerization....

  12. Capturing suboptical dynamic structures in lipid bilayer patches formed from free-standing giant unilamellar vesicles

    DEFF Research Database (Denmark)

    Bhartia, Tripta; Cornelius, Flemming; Ipsen, John H

    2017-01-01

    treatment with magnesium chloride, they collapse to form planar lipid bilayer (PLB) patches. Rapid GUV collapse onto the mica preserves the lateral organization of freestanding membranes and thus makes it possible to image 'snapshots' of GUVs up to nanometer resolution by high-resolution microscopy...... up a new avenue for quantitative biophysical studies of suboptical dynamic structures in biomembranes, which are local and short-lived. Preparation of GUVs, PLB patches and their imaging takes

  13. Study of the technology of the plasma nanostructuring of silicon to form highly efficient emission structures

    Energy Technology Data Exchange (ETDEWEB)

    Galperin, V. A.; Kitsyuk, E. P. [“Technological Center” Research-and-Production Company (Russian Federation); Pavlov, A. A. [Russian Academy of Sciences, Institute of Nanotechnologies in Microelectronics (Russian Federation); Shamanaev, A. A., E-mail: artemiy.shamanaev@tcen.ru [“Technological Center” Research-and-Production Company (Russian Federation)

    2015-12-15

    New methods for silicon nanostructuring and the possibility of raising the aspect ratios of the structures being formed are considered. It is shown that the technology developed relates to self-formation methods and is an efficient tool for improving the quality of field-emission cathodes based on carbon nanotubes (CNTs) by increasing the Si–CNT contact area and raising the efficiency of the heat sink.

  14. Advances in Design and Fabrication of Free-Form Reciprocal Structures

    DEFF Research Database (Denmark)

    Parigi, Dario

    2016-01-01

    The paper presents the advances in design and fabrication of free-form Reciprocal Structures, and their application a during a one-week long workshop with the students of the 1st semester of the Master of Science in Architecture and Design, fall 2015, at Aalborg University. Two new factors were...... introduced and tested: a new version of the software Reciprocalizer, and an evolution of the Reciprocalizer Robot. The workshop didactic framework Performance Aided/Assisted Design (PAD) is presented....

  15. Sequences with high propensity to form G-quartet structures in kinetoplast DNA from Phytomonas serpens.

    Science.gov (United States)

    Sá-Carvalho, D; Traub-Cseko, Y M

    1995-06-01

    Naturally occurring sequences containing repetitive guanine motifs have the potential to form tetraplex DNA. Phytomonas serpens minicircle DNA shows some regions where one strand is composed mainly of G and T (GT regions). These regions contain several stretches of contiguous guanines. An oligonucleotide was constructed with the sequence corresponding to one of these regions (Phyto-GT). It was demonstrated by native gel electrophoresis and methylation protection that Phyto-GT forms tetramolecular (G4), bimolecular (G'2) and unimolecular (G4') structures stabilized through G-quartets. Tetraplex DNA formation by this sequence could have biological relevance as it can be formed in physiological conditions and GT regions comprise approximately one-third of P. serpens and Crithidia oncopelti minicircles.

  16. Structure and Oxidation of Pyrrole Adducts Formed between Aflatoxin B2aand Biological Amines.

    Science.gov (United States)

    Rushing, Blake R; Selim, Mustafa I

    2017-06-19

    Aflatoxin B 2a has been shown to bind to proteins through a dialdehyde intermediate under physiological conditions. The proposed structure of this adduct has been published showing a Schiff base interaction, but adequate verification using structural elucidation instrumental techniques has not been performed. In this work, we synthesized the aflatoxin B 2a amino acid adduct under alkaline conditions, and the formation of a new product was determined using high performance liquid chromatography-time-of-flight mass spectrometry. The resulting accurate mass was used to generate a novel proposed chemical structure of the adduct in which the dialdehyde forms a pyrrole ring with primary amines rather than the previously proposed Schiff base interaction. The pyrrole structure was confirmed using 1 H, 13 C, correlation spectroscopy, heteronuclear single quantum correlation, and heteronuclear multiple bond correlation NMR and tandem mass spectrometry. Reaction kinetics show that the reaction is overall second order and that the rate increases as pH increases. Additionally, this study shows for the first time that aflatoxin B 2a dialdehyde forms adducts with phosphatidylethanolamines and does so through pyrrole ring formation, which makes it the first aflatoxin-lipid adduct to be structurally identified. Furthermore, oxidation of the pyrrole adduct produced a product that was 16 m/z heavier. When the aflatoxin B 2a -lysine (ε) adduct was oxidized, it gave a product with an accurate mass, mass fragmentation pattern, and 1 H NMR spectrum that match aflatoxin B 1 -lysine, which suggest the transformation of the pyrrole ring to a pyrrolin-2-one ring. These data give new insight into the fate and chemical properties of biological adducts formed from aflatoxin B 2a as well as possible interferences with known aflatoxin B 1 exposure biomarkers.

  17. The Open Form Inducer Approach for Structure-Based Drug Design.

    Directory of Open Access Journals (Sweden)

    Daniel Ken Inaoka

    Full Text Available Many open form (OF structures of drug targets were obtained a posteriori by analysis of co-crystals with inhibitors. Therefore, obtaining the OF structure of a drug target a priori will accelerate development of potent inhibitors. In addition to its small active site, Trypanosoma cruzi dihydroorotate dehydrogenase (TcDHODH is fully functional in its monomeric form, making drug design approaches targeting the active site and protein-protein interactions unrealistic. Therefore, a novel a priori approach was developed to determination the TcDHODH active site in OF. This approach consists of generating an "OF inducer" (predicted in silico to bind the target and cause steric repulsion with flexible regions proximal to the active site that force it open. We provide the first proof-of-concept of this approach by predicting and crystallizing TcDHODH in complex with an OF inducer, thereby obtaining the OF a priori with its subsequent use in designing potent and selective inhibitors. Fourteen co-crystal structures of TcDHODH with the designed inhibitors are presented herein. This approach has potential to encourage drug design against diseases where the molecular targets are such difficult proteins possessing small AS volume. This approach can be extended to study open/close conformation of proteins in general, the identification of allosteric pockets and inhibitors for other drug targets where conventional drug design approaches are not applicable, as well as the effective exploitation of the increasing number of protein structures deposited in Protein Data Bank.

  18. Structural Determinants of Photoreactivity of Triplex Forming Oligonucleotides Conjugated to Psoralens

    Science.gov (United States)

    Krishnan, Rajagopal; Oh, Dennis H.

    2010-01-01

    Triplex-forming oligonucleotides (TFOs) with both DNA and 2′-O-methyl RNA backbones can direct psoralen photoadducts to specific DNA sequences. However, the functional consequences of these differing structures on psoralen photoreactivity are unknown. We designed TFO sequences with DNA and 2′-O-methyl RNA backbones conjugated to psoralen by 2-carbon linkers and examined their ability to bind and target damage to model DNA duplexes corresponding to sequences within the human HPRT gene. While TFO binding affinity was not dramatically affected by the type of backbone, psoralen photoreactivity was completely abrogated by the 2′-O-methyl RNA backbone. Photoreactivity was restored when the psoralen was conjugated to the RNA TFO via a 6-carbon linker. In contrast to the B-form DNA of triplexes formed by DNA TFOs, the CD spectra of triplexes formed with 2′-O-methyl RNA TFOs exhibited features of A-form DNA. These results indicate that 2′-O-methyl RNA TFOs induce a partial B-to-A transition in their target DNA sequences which may impair the photoreactivity of a conjugated psoralen and suggest that optimal design of TFOs to target DNA damage may require a balance between binding ability and drug reactivity. PMID:20725628

  19. Superplastic Forming/Adhesive Bonding of Aluminum (SPF/AB) Multi-Sheet Structures

    Science.gov (United States)

    Wagner, John A. (Technical Monitor); Will, Jeff D.; Cotton, James D.

    2003-01-01

    A significant fraction of airframe structure consists of stiffened panels that are costly and difficult to fabricate. This program explored a potentially lower-cost processing route for producing such panels. The alternative process sought to apply concurrent superplastic forming and adhesive bonding of aluminum alloy sheets. Processing conditions were chosen to balance adequate superplasticity of the alloy with thermal stability of the adhesive. As a first objective, an air-quenchable, superplastic aluminum-lithium alloy and a low-volatile content, low-viscosity adhesive with compatible forming/curing cycles were identified. A four-sheet forming pack was assembled which consisted of a welded two-sheet core separated from the face sheets by a layer of adhesive. Despite some preliminary success, of over 30 forming trials none was completely successful. The main problem was inadequate superplasticity in the heat-affected zones of the rib welds, which generally fractured prior to completion of the forming cycle. The welds are a necessary component in producing internal ribs by the 'four-sheet' process. Other challenges, such as surface preparation and adhesive bonding, were adequately solved. But without the larger issue of tearing at the weld locations, complex panel fabrication by SPF/AB does not appear viable.

  20. Form and function: Perspectives on structural biology and resources for the future

    Energy Technology Data Exchange (ETDEWEB)

    Vaughan, D. (ed.)

    1990-12-01

    The purpose of this study is largely to explore and expand on the thesis that biological structures and their functions are suited to. Form indeed follows function and if we are to understand the workings of a living system, with all that such an understanding promises, we must first seek to describe the structure of its parts. Descriptions of a few achievements of structural biology lay the groundwork, but the substance of this booklet is a discussion of important questions yet unanswered and opportunities just beyond our grasp. The concluding pages then outline a course of action in which the Department of Energy would exercise its responsibility to develop the major resources needed to extend our reach and to answer some of those unanswered questions. 22 figs.

  1. Revealing the Link between Structural Relaxation and Dynamic Heterogeneity in Glass-Forming Liquids.

    Science.gov (United States)

    Wang, Lijin; Xu, Ning; Wang, W H; Guan, Pengfei

    2018-03-23

    Despite the use of glasses for thousands of years, the nature of the glass transition is still mysterious. On approaching the glass transition, the growth of dynamic heterogeneity has long been thought to play a key role in explaining the abrupt slowdown of structural relaxation. However, it still remains elusive whether there is an underlying link between structural relaxation and dynamic heterogeneity. Here, we unravel the link by introducing a characteristic time scale hiding behind an identical dynamic heterogeneity for various model glass-forming liquids. We find that the time scale corresponds to the kinetic fragility of liquids. Moreover, it leads to scaling collapse of both the structural relaxation time and dynamic heterogeneity for all liquids studied, together with a characteristic temperature associated with the same dynamic heterogeneity. Our findings imply that studying the glass transition from the viewpoint of dynamic heterogeneity is more informative than expected.

  2. Infrared spectroscopy study of structural changes in glass-forming salol.

    Science.gov (United States)

    Baran, J; Davydova, N A

    2010-03-01

    We report the investigation of glass-forming salol upon different courses of the temperature changes from liquid to glass state and back using FT-IR spectroscopy measurements in the wide spectral and temperature ranges. The formation of the ordered clusters in supercooled liquid salol has been observed at 250 K. When the temperature is decreased further to 11 K these ordered clusters become an element of the glass structure. With increasing temperature to 270 K through the glass transition noticeable evolutions of the IR spectrum occurs up till the ordered clusters are developed into crystal. So produced crystal melts in the temperature range 300-310 K, that corresponds to the melting temperature of the metastable phase (Tmelt=302 K) . Thus, the crystalline structure of the ordered clusters corresponds to the structure of metastable phase and is monoclinic.

  3. Influence of carbonization conditions on micro-pore structure of foundry formed coke produced with char

    Energy Technology Data Exchange (ETDEWEB)

    Jun Qiao; Jianjun Wu; Jingru Zu; Zhiyuan Gao; Guoli Zhou

    2009-07-01

    There are few studies on coke's micro-pore structure in recent years, however, micro-pore structure of foundry coke determines its macroscopically quality index and reactivity in cupola furnace. Effect of such factors on micro-pore structure were investigated under different carbonization conditions with certain ratio of raw materials and material forming process in this article as charging temperature (A); braised furnace time (B); heating rate of the first stage (C)and the second stage (D) and holding time of ultimate temperature (E). Research showed that charging temperature was the most influential factor on the coke porosity, pore volume, pore size and specific surface area. It is suggested that formation of plastic mass and releasing rate of volatile during carbonization period are two main factors on microstructure of foundry coke while charging temperature contributes most to the above factors. 6 refs., 4 figs., 9 tabs.

  4. Revealing the Link between Structural Relaxation and Dynamic Heterogeneity in Glass-Forming Liquids

    Science.gov (United States)

    Wang, Lijin; Xu, Ning; Wang, W. H.; Guan, Pengfei

    2018-03-01

    Despite the use of glasses for thousands of years, the nature of the glass transition is still mysterious. On approaching the glass transition, the growth of dynamic heterogeneity has long been thought to play a key role in explaining the abrupt slowdown of structural relaxation. However, it still remains elusive whether there is an underlying link between structural relaxation and dynamic heterogeneity. Here, we unravel the link by introducing a characteristic time scale hiding behind an identical dynamic heterogeneity for various model glass-forming liquids. We find that the time scale corresponds to the kinetic fragility of liquids. Moreover, it leads to scaling collapse of both the structural relaxation time and dynamic heterogeneity for all liquids studied, together with a characteristic temperature associated with the same dynamic heterogeneity. Our findings imply that studying the glass transition from the viewpoint of dynamic heterogeneity is more informative than expected.

  5. Form and function: Perspectives on structural biology and resources for the future

    International Nuclear Information System (INIS)

    Vaughan, D.

    1990-12-01

    The purpose of this study is largely to explore and expand on the thesis that biological structures and their functions are suited to. Form indeed follows function and if we are to understand the workings of a living system, with all that such an understanding promises, we must first seek to describe the structure of its parts. Descriptions of a few achievements of structural biology lay the groundwork, but the substance of this booklet is a discussion of important questions yet unanswered and opportunities just beyond our grasp. The concluding pages then outline a course of action in which the Department of Energy would exercise its responsibility to develop the major resources needed to extend our reach and to answer some of those unanswered questions. 22 figs

  6. Referral letter with an attached structured reply form: Is it a solution for not getting replies

    Directory of Open Access Journals (Sweden)

    R. P. J. C. Ramanayake

    2013-01-01

    Full Text Available Background: Communication between primary care doctors and specialists/hospital doctors is vital for smooth functioning of a health care system. In many instances referral and reply letters are the sole means of communication between general practitioners and hospital doctors/specialists. Despite the obvious benefits to patient care, answers to referral letters are the exception worldwide. In Sri Lanka hand written conventional letters are used to refer patients and replies are scarce. Materials and Methods: This interventional study was designed to assess if attaching a structured reply form with the referral letter would increase the rate of replies/back-referrals. It was conducted at the Family Medicine Clinic of the Faculty of Medicine, University of Kelaniya. A structured referral letter (form was designed based on guide lines and literature and it was used for referral of patients for a period of six months. Similarly a structured reply form was also designed and both the referral letter and the reply letter were printed on A4 papers side by side and these were used for the next six months for referrals. Both letters had headings and space underneath to write details pertaining to the patient. A register was maintained to document the number of referrals and replies received during both phases. Patents were asked to return the reply letters if specialists/hospital doctors obliged to reply. Results: Total of 90 patients were referred using the structured referral form during 1st phase. 80 letters (with reply form attached were issued during the next six months. Patients were referred to eight different specialties. Not a single reply during the 1 st phase and there were six 6 (7.5% replies during the 2 nd phase. Discussion: This was an attempt to improve communication between specialists/hospital doctors and primary care doctors. Even though there was some improvement it was not satisfactory. A multicenter island wide study should be

  7. Finely Formed, Kinetically Modulated Wrinkle Structures in UV-Crosslinkable Liquid Prepolymers.

    Science.gov (United States)

    Park, Seung Koo; Kwark, Young-Je; Moon, Jaehyun; Joo, Chul Woong; Yu, Byounggon; Lee, Jeong-Ik

    2015-11-01

    Special characteristics of wrinkles such as a scattering source and a high surface area are finding use in high-tech applications. UV-crosslinkable prepolymers are occasionally used for fabricating wrinkled films. Wavelength of the wrinkles formed from the prepolymers is several tens and hundreds of micrometers. Here, a UV-crosslinkable liquid prepolymer is synthesized to spontaneously form wrinkle structures in the order of several micrometers. Double layers with a very thin hard skin and a soft and contractible foundation are formed at the same time, by ensuring that all the absorbance wavelengths of the photoinitiator are shorter than the minimum wavelength at which the prepolymer is transparent. The rate of photo-crosslinking reaction, R(p), is also found to affect the thickness of the skin and foundation layers at the early UV-curing stage. The first-order apparent rate constant, k(app), is between ≈0.20 and ≈0.69 s(-1) for the wrinkle formation. This wrinkle structures can be simply modulated by changing R(p). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Form and function in hillslope hydrology: in situ imaging and characterization of flow-relevant structures

    Science.gov (United States)

    Jackisch, Conrad; Angermann, Lisa; Allroggen, Niklas; Sprenger, Matthias; Blume, Theresa; Tronicke, Jens; Zehe, Erwin

    2017-07-01

    The study deals with the identification and characterization of rapid subsurface flow structures through pedo- and geo-physical measurements and irrigation experiments at the point, plot and hillslope scale. Our investigation of flow-relevant structures and hydrological responses refers to the general interplay of form and function, respectively. To obtain a holistic picture of the subsurface, a large set of different laboratory, exploratory and experimental methods was used at the different scales. For exploration these methods included drilled soil core profiles, in situ measurements of infiltration capacity and saturated hydraulic conductivity, and laboratory analyses of soil water retention and saturated hydraulic conductivity. The irrigation experiments at the plot scale were monitored through a combination of dye tracer, salt tracer, soil moisture dynamics, and 3-D time-lapse ground penetrating radar (GPR) methods. At the hillslope scale the subsurface was explored by a 3-D GPR survey. A natural storm event and an irrigation experiment were monitored by a dense network of soil moisture observations and a cascade of 2-D time-lapse GPR trenches. We show that the shift between activated and non-activated state of the flow paths is needed to distinguish structures from overall heterogeneity. Pedo-physical analyses of point-scale samples are the basis for sub-scale structure inference. At the plot and hillslope scale 3-D and 2-D time-lapse GPR applications are successfully employed as non-invasive means to image subsurface response patterns and to identify flow-relevant paths. Tracer recovery and soil water responses from irrigation experiments deliver a consistent estimate of response velocities. The combined observation of form and function under active conditions provides the means to localize and characterize the structures (this study) and the hydrological processes (companion study Angermann et al., 2017, this issue).

  9. Form and function in hillslope hydrology: in situ imaging and characterization of flow-relevant structures

    Directory of Open Access Journals (Sweden)

    C. Jackisch

    2017-07-01

    Full Text Available The study deals with the identification and characterization of rapid subsurface flow structures through pedo- and geo-physical measurements and irrigation experiments at the point, plot and hillslope scale. Our investigation of flow-relevant structures and hydrological responses refers to the general interplay of form and function, respectively. To obtain a holistic picture of the subsurface, a large set of different laboratory, exploratory and experimental methods was used at the different scales. For exploration these methods included drilled soil core profiles, in situ measurements of infiltration capacity and saturated hydraulic conductivity, and laboratory analyses of soil water retention and saturated hydraulic conductivity. The irrigation experiments at the plot scale were monitored through a combination of dye tracer, salt tracer, soil moisture dynamics, and 3-D time-lapse ground penetrating radar (GPR methods. At the hillslope scale the subsurface was explored by a 3-D GPR survey. A natural storm event and an irrigation experiment were monitored by a dense network of soil moisture observations and a cascade of 2-D time-lapse GPR trenches. We show that the shift between activated and non-activated state of the flow paths is needed to distinguish structures from overall heterogeneity. Pedo-physical analyses of point-scale samples are the basis for sub-scale structure inference. At the plot and hillslope scale 3-D and 2-D time-lapse GPR applications are successfully employed as non-invasive means to image subsurface response patterns and to identify flow-relevant paths. Tracer recovery and soil water responses from irrigation experiments deliver a consistent estimate of response velocities. The combined observation of form and function under active conditions provides the means to localize and characterize the structures (this study and the hydrological processes (companion study Angermann et al., 2017, this issue.

  10. Bacterial collagen-like proteins that form triple-helical structures

    Science.gov (United States)

    Yu, Zhuoxin; An, Bo; Ramshaw, John A.M.; Brodsky, Barbara

    2014-01-01

    A large number of collagen-like proteins have been identified in bacteria during the past ten years, principally from analysis of genome databases. These bacterial collagens share the distinctive Gly-Xaa-Yaa repeating amino acid sequence of animal collagens which underlies their unique triple-helical structure. A number of the bacterial collagens have been expressed in E. coli, and they all adopt a triple-helix conformation. Unlike animal collagens, these bacterial proteins do not contain the post-translationally modified amino acid, hydroxyproline, which is known to stabilize the triple-helix structure and may promote self-assembly. Despite the absence of collagen hydroxylation, the triple-helix structures of the bacterial collagens studied exhibit a high thermal stability of 35–39 °C, close to that seen for mammalian collagens. These bacterial collagens are readily produced in large quantities by recombinant methods, either in the original amino acid sequence or in genetically manipulated sequences. This new family of recombinant, easy to modify collagens could provide a novel system for investigating structural and functional motifs in animal collagens and could also form the basis of new biomedical materials with designed structural properties and functions. PMID:24434612

  11. Structure and stabilization of the Hendra virus F glycoprotein in its prefusion form.

    Science.gov (United States)

    Wong, Joyce J W; Paterson, Reay G; Lamb, Robert A; Jardetzky, Theodore S

    2016-01-26

    Hendra virus (HeV) is one of the two prototypical members of the Henipavirus genus of paramyxoviruses, which are designated biosafety level 4 (BSL-4) organisms due to the high mortality rate of Nipah virus (NiV) and HeV in humans. Paramyxovirus cell entry is mediated by the fusion protein, F, in response to binding of a host receptor by the attachment protein. During posttranslational processing, the fusion peptide of F is released and, upon receptor-induced triggering, inserts into the host cell membrane. As F undergoes a dramatic refolding from its prefusion to postfusion conformation, the fusion peptide brings the host and viral membranes together, allowing entry of the viral RNA. Here, we present the crystal structure of the prefusion form of the HeV F ectodomain. The structure shows very high similarity to the structure of prefusion parainfluenza virus 5 (PIV5) F, with the main structural differences in the membrane distal apical loops and the fusion peptide cleavage loop. Functional assays of mutants show that the apical loop can tolerate perturbation in length and surface residues without loss of function, except for residues involved in the stability and conservation of the F protein fold. Structure-based disulfide mutants were designed to anchor the fusion peptide to conformationally invariant residues of the F head. Two mutants were identified that inhibit F-mediated fusion by stabilizing F in its prefusion conformation.

  12. Crystal structure of the urokinase receptor in a ligand-free form

    DEFF Research Database (Denmark)

    Xu, Xiang; Gårdsvoll, Henrik; Yuan, Cai

    2012-01-01

    . The crystal structure of human uPAR in its ligand-free state would clarify this issue, but such information remains unfortunately elusive. We now report the crystal structures of a stabilized, human uPAR (H47C/N259C) in its ligand-free form to 2.4 Å and in complex with amino-terminal fragment (ATF) to 3.2 Å...... represents one of the biologically active conformations of uPAR as defined by extensive biochemical studies. The domain boundary between uPAR DI-DII domains is more flexible than the DII-DIII domain boundary. Two important structural features are highlighted by the present uPAR structure. First, the DI......-DIII domain boundary may face the cell membrane. Second, loop 130-140 of uPAR plays a dynamic role during ligand loading/unloading. Together, these studies provide new insights into uPAR structure-function relationships, emphasizing the importance of the inter-domain dynamics of this modular receptor....

  13. Structure of mixed clusters formed in supersonic jets of Ar -N2 gas mixtures

    Science.gov (United States)

    Danylchenko, O. G.; Kovalenko, S. I.; Samovarov, V. N.

    2007-12-01

    An electron diffraction study is done on substrate-free clusters formed from nanodrops in expanding supersonic jets of Ar -N2 gas mixtures. The mean characteristic linear dimension of the clusters varies from 20to200Å, and the temperature of the clusters is 40K. The content of the gas mixtures spanned the entire concentration interval. These studies revealed that the mixed Ar -N2 clusters are enriched with Ar, and a method for determining the absolute concentrations of the cluster constituents is proposed. The structure of the clusters in relation to their size and the component concentrations is established for the first time. The diagram of the structural states is compared with published data for bulk samples grown from the liquid. A transformation from the fcc to the hcp structure on increasing cluster size is revealed, and also a transformation from the hcp to an hcp +fcc structure with increasing argon concentration; this is not observed in the bulk samples. In clusters the mutual transformations of these structures occur without a change of the interatomic distances.

  14. Nitrogen forms influence microcystin concentration and composition via changes in cyanobacterial community structure.

    Directory of Open Access Journals (Sweden)

    Marie-Eve Monchamp

    Full Text Available The eutrophication of freshwaters is a global health concern as lakes with excess nutrients are often subject to toxic cyanobacterial blooms. Although phosphorus is considered the main element regulating cyanobacterial biomass, nitrogen (N concentration and more specifically the availability of different N forms may influence the overall toxicity of blooms. In this study of three eutrophic lakes prone to cyanobacterial blooms, we examined the effects of nitrogen species and concentrations and other environmental factors in influencing cyanobacterial community structure, microcystin (MC concentrations and MC congener composition. The identification of specific MC congeners was of particular interest as they vary widely in toxicity. Different nitrogen forms appeared to influence cyanobacterial community structure leading to corresponding effects on MC concentrations and composition. Total MC concentrations across the lakes were largely explained by a combination of abiotic factors: dissolved organic nitrogen, water temperature and ammonium, but Microcystis spp. biomass was overall the best predictor of MC concentrations. Environmental factors did not appear to affect MC congener composition directly but there were significant associations between specific MC congeners and particular species. Based on redundancy analyses (RDA, the relative biomass of Microcystis aeruginosa was associated with MC-RR, M. wesenbergii with MC-LA and Aphanizomenon flos-aquae with MC-YR. The latter two species are not generally considered capable of MC production. Total nitrogen, water temperature, ammonium and dissolved organic nitrogen influenced the cyanobacterial community structure, which in turn resulted in differences in the dominant MC congener and the overall toxicity.

  15. Structure of the active form of human origin recognition complex and its ATPase motor module

    Energy Technology Data Exchange (ETDEWEB)

    Tocilj, Ante; On, Kin Fan; Yuan, Zuanning; Sun, Jingchuan; Elkayam, Elad; Li, Huilin; Stillman, Bruce; Joshua-Tor, Leemor

    2017-01-23

    Binding of the Origin Recognition Complex (ORC) to origins of replication marks the first step in the initiation of replication of the genome in all eukaryotic cells. Here, we report the structure of the active form of human ORC determined by X-ray crystallography and cryo-electron microscopy. The complex is composed of an ORC1/4/5 motor module lobe in an organization reminiscent of the DNA polymerase clamp loader complexes. A second lobe contains the ORC2/3 subunits. The complex is organized as a double-layered shallow corkscrew, with the AAA+ and AAA+-like domains forming one layer, and the winged-helix domains (WHDs) forming a top layer. CDC6 fits easily between ORC1 and ORC2, completing the ring and the DNA-binding channel, forming an additional ATP hydrolysis site. Analysis of the ATPase activity of the complex provides a basis for understanding ORC activity as well as molecular defects observed in Meier-Gorlin Syndrome mutations.

  16. Factor structure and psychometric properties of the Fertility Problem Inventory–Short Form

    Directory of Open Access Journals (Sweden)

    Maria Clelia Zurlo

    2017-11-01

    Full Text Available The study analyses factor structure and psychometric properties of the Italian version of the Fertility Problem Inventory–Short Form. A sample of 206 infertile couples completed the Italian version of Fertility Problem Inventory (46 items with demographics, State Anxiety Scale of State-Trait Anxiety Inventory (Form Y, Edinburgh Depression Scale and Dyadic Adjustment Scale, used to assess convergent and discriminant validity. Confirmatory factor analysis was unsatisfactory (comparative fit index = 0.87; Tucker-Lewis Index = 0.83; root mean square error of approximation = 0.17, and Cronbach’s α (0.95 revealed a redundancy of items. Exploratory factor analysis was carried out deleting cross-loading items, and Mokken scale analysis was applied to verify the items homogeneity within the reduced subscales of the questionnaire. The Fertility Problem Inventory–Short Form consists of 27 items, tapping four meaningful and reliable factors. Convergent and discriminant validity were confirmed. Findings indicated that the Fertility Problem Inventory–Short Form is a valid and reliable measure to assess infertility-related stress dimensions.

  17. A tunable closed form model for the structure function of tropospheric delay

    DEFF Research Database (Denmark)

    Merryman Boncori, John Peter; Mohr, Johan Jacob

    2008-01-01

    Several interferometric synthetic aperture radar applications could benefit from the availability of a closed-form model for the second-order statistics of atmospheric delay. Due to the variability of the latter, it would also be desirable for the model to be tunable to some acquisition......-specific information, describing the atmospheric state. In this letter, a closed-form expression for the zenith delay structure function of tropospheric propagation delay is derived from a two-regime power spectral density function reported in the literature. The power at a specific spatial frequency is used as a free...... model parameter, which may be tuned to available measurements or, in the absence of these, to atmospheric statistics. The latter approach is used to compare the derived model with previously published results....

  18. The structural bases of long-term anabiosis in non-spore-forming bacteria

    Science.gov (United States)

    Suzina, Natalia E.; Mulyukin, Andrey L.; Dmitriev, Vladimir V.; Nikolaev, Yury A.; Shorokhova, Anna P.; Bobkova, Yulia S.; Barinova, Ekaterina S.; Plakunov, Vladimir K.; El-Registan, Galina I.; Duda, Vitalii I.

    2006-01-01

    Peculiarities of the structural organization in non-spore-forming bacteria associated with long-term anabiosis were revealed both in laboratory cultures and in natural populations isolated from 1 3-Myr-old Eastern Siberian permafrost and tundra soil. Different advanced methods were used, including (a) high-resolution electron microscopy; (b) simulation of in situ conditions in the laboratory by varying the composition of growth medium and cultivation conditions; (c) low-temperature fractionation to isolate and concentrate microbial cells from natural soils; (d) comparative morphological analysis of microbial cells in model cultures and natural soils (in situ). Under laboratory conditions, the intense formation of resting cells by representatives of various taxa of eubacteria and halophilic archaea occurred in 2 9-month-old cultures grown in carbon-, nitrogen-, or phosphorus-limited media, in starved cell suspensions in the presence of sodium silicate, or on soil agar. Among resting cells, we revealed cystlike forms having a complicated structure and common features. These included a thick capsule; a thickened and multiprofile cell wall; the presence of large intramembrane particles on PF- and EF-fracture surfaces; fine-grained or lumpy cytoplasm; and a condensed nucleoid. The general morphological properties, ultrastructural organization, physiological features of cystlike cells, and their ability to germinate under the appropriate conditions suggest the existence of constitutive dormancy in non-spore-forming bacteria. It was found that the majority of microorganisms in permafrost and tundra soil are cystlike cells, very similar to those in laboratory cultures. Anabiotic (resting) cystlike cells are responsible for the survival of non-spore-formers in extreme Earth habitats and may be regarded as possible analogs of extraterrestrial forms of microbial life.

  19. Deuteron A(Q2) structure function and the neutron electric form factor

    International Nuclear Information System (INIS)

    Platchkov, S.; Amroun, A.; Auffret, S.; Cavedon, J.M.; Dreux, P.; Duclos, J.; Frois, B.; Goutte, D.; Hachemi, H.; Martino, J.

    1989-01-01

    We present new measurements of the deuteron A(Q 2 ) structure function in the momentum transfer region between 1 and 18 fm -2 . The accuracy of the data ranges from 2% to 6%. We investigate the sensitivity of A(Q 2 ) to the nucleon-nucleon interaction and to the neutron electric form factor G E n . Our analysis shows that below 20 fm -2 G E n can be inferred from these data with a significantly improved accuracy. The model dependence of this analysis is discussed

  20. Corrosion products formed from marine environments: structural variables and corrosion potential vinculation

    International Nuclear Information System (INIS)

    Ohanian, M.; Caraballo, R.; Dalchiele, E. a.; Guineo-Cobs, G.; Martinez-Luaces, V.; Qauagliata, E.

    2005-01-01

    Structural and electrochemical analysis of rust formed from low alloy steel was performed. The samples, generated in the framework of MICAT project, were exposed in two marine environments: subtropical and sub polar Antarctic. the results suggested for formation of oxides and oxihidroxides of low crystallinity and poor protective properties. The evolution of the results is analyzed tacking to account the different environments. The electrochemical activity and phases concentration of corrosion products are analyzed by cluster diagrams with the objective of adjusting qualitative models. (Author)

  1. Nucleon form factors and structure functions from Nf=2 Clover fermions

    International Nuclear Information System (INIS)

    Collins, S.; Goeckeler, M.; Haegler, P.

    2010-12-01

    We give an update on our ongoing efforts to compute the nucleon's form factors and moments of structure functions using N f =2 flavours of non-perturbatively improved Clover fermions. We focus on new results obtained on gauge configurations where the pseudo-scalar meson mass is in the range of 170-270 MeV. We compare our results with various estimates obtained from chiral effective theories since we have some overlap with the quark mass region where results from such theories are believed to be applicable. (orig.)

  2. Structure of haze forming proteins in white wines: Vitis vinifera thaumatin-like proteins.

    Directory of Open Access Journals (Sweden)

    Matteo Marangon

    Full Text Available Grape thaumatin-like proteins (TLPs play roles in plant-pathogen interactions and can cause protein haze in white wine unless removed prior to bottling. Different isoforms of TLPs have different hazing potential and aggregation behavior. Here we present the elucidation of the molecular structures of three grape TLPs that display different hazing potential. The three TLPs have very similar structures despite belonging to two different classes (F2/4JRU is a thaumatin-like protein while I/4L5H and H2/4MBT are VVTL1, and having different unfolding temperatures (56 vs. 62°C, with protein F2/4JRU being heat unstable and forming haze, while I/4L5H does not. These differences in properties are attributable to the conformation of a single loop and the amino acid composition of its flanking regions.

  3. The effects of topology on the structural, dynamic and mechanical properties of network-forming materials

    International Nuclear Information System (INIS)

    Wilson, Mark

    2012-01-01

    The effects of network topology on the static structural, mechanical and dynamic properties of MX 2 network-forming liquids (with tetrahedral short-range order) are discussed. The network topology is controlled via a single model parameter (the anion polarizability) which effectively constrains the inter-tetrahedral linkages in a physically transparent manner. Critically, it is found to control the balance between the stability of corner- and edge-sharing tetrahedra. A potential rigidity transformation is investigated. The vibrational density of states is investigated, using an instantaneous normal model analysis, as a function of both anion polarizability and temperature. A low frequency peak is seen to appear and is shown to be correlated with the fraction of cations which are linked through solely edge-sharing structural motifs. A modified effective mean atom coordination number is proposed which allows the appearance of the low frequency feature to be understood in terms of a mean field rigidity percolation threshold. (paper)

  4. Structure of Haze Forming Proteins in White Wines: Vitis vinifera Thaumatin-Like Proteins

    Science.gov (United States)

    Marangon, Matteo; Van Sluyter, Steven C.; Waters, Elizabeth J.; Menz, Robert I.

    2014-01-01

    Grape thaumatin-like proteins (TLPs) play roles in plant-pathogen interactions and can cause protein haze in white wine unless removed prior to bottling. Different isoforms of TLPs have different hazing potential and aggregation behavior. Here we present the elucidation of the molecular structures of three grape TLPs that display different hazing potential. The three TLPs have very similar structures despite belonging to two different classes (F2/4JRU is a thaumatin-like protein while I/4L5H and H2/4MBT are VVTL1), and having different unfolding temperatures (56 vs. 62°C), with protein F2/4JRU being heat unstable and forming haze, while I/4L5H does not. These differences in properties are attributable to the conformation of a single loop and the amino acid composition of its flanking regions. PMID:25463627

  5. REMOTE WORK AS A PROMISING FORM OF LABOUR ORGANIZATION FOR RUSSIAN ENTREPRENEURIAL STRUCTURES

    Directory of Open Access Journals (Sweden)

    I. Gurova

    2016-01-01

    Full Text Available Remote work (telecommuting is one of the modern technologies of the organization of the labor process, which is not yet widely used in domestic practice. However, in times of crisis, when entrepreneurial structures seek for the maximum reduction of expenses, it can be a tool to address many of the pressing issues related to the most effective use of production and labor resources.The article discusses the features of the remote work on a world level and in our country, detected its strengths and weaknesses for the participants of labour relations, as well as revealed the potential of this form of labor organization for achievement of optimum balance between expenses and efficiency of entrepreneurial structures.

  6. Distinct atomic structures of the Ni-Nb metallic glasses formed by ion beam mixing

    International Nuclear Information System (INIS)

    Tai, K. P.; Wang, L. T.; Liu, B. X.

    2007-01-01

    Four Ni-Nb metallic glasses are obtained by ion beam mixing and their compositions are measured to be Ni 77 Nb 23 , Ni 55 Nb 45 , Ni 31 Nb 69 , and Ni 15 Nb 85 , respectively, suggesting that a composition range of 23-85 at. % of Nb is favored for metallic glass formation in the Ni-Nb system. Interestingly, diffraction analyses show that the structure of the Nb-based Ni 31 Nb 69 metallic glass is distinctly different from the structure of the Nb-based Ni 15 Nb 85 metallic glass, as the respective amorphous halos are located at 2θ≅38 and 39 deg. To explore an atomic scale description of the Ni-Nb metallic glasses, an n-body Ni-Nb potential is first constructed with an aid of the ab initio calculations and then applied to perform the molecular dynamics simulation. Simulation results determine not only the intrinsic glass forming range of the Ni-Nb system to be within 20-85 at. % of Nb, but also the exact atomic positions in the Ni-Nb metallic glasses. Through a statistical analysis of the determined atomic positions, a new dominant local packing unit is found in the Ni 15 Nb 85 metallic glass, i.e., an icositetrahedron with a coordination number to be around 14, while in Ni 31 Nb 69 metallic glasses, the dominant local packing unit is an icosahedron with a coordination number to be around 12, which has been reported for the other metallic glasses. In fact, with increasing the irradiation dose, the Ni 31 Nb 69 metallic glasses are formed through an intermediate state of face-centered-cubic-solid solution, whereas the Ni 15 Nb 85 metallic glass is through an intermediate state of body-centered-cubic-solid solution, suggesting that the structures of the constituent metals play an important role in governing the structural characteristics of the resultant metallic glasses

  7. Atomic structure of nanoscale quasicrystal-forming Zr-noble metal binary metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Saida, J., E-mail: jsaida@cir.tohoku.ac.jp [Center for Interdisciplinary Research, Tohoku University, Aramaki Aoba, Aoba-ku, Sendai 980-8578 (Japan); Itoh, K. [Graduate School of Education, Okayama University, Tsushimanaka, Kita-ku, Okayama 700-8530 (Japan); Sanada, T. [Research Department, Nissan ARC Ltd., Natsushima, Yokosuka 237-0061 (Japan); Sato, S. [Institute for Materials Research, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan); Imafuku, M. [Faculty of Engineering, Tokyo City University, Setagaya-ku, Tokyo 158-8557 (Japan); Ohnuma, M. [National Institute of Materials Science (NIMS), Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Inoue, A. [WPI-AIMR, Tohoku University, Katahira, Aoba-ku, Sendai 980-8577 (Japan)

    2011-06-15

    Research highlights: > Zr{sub 70}Pd{sub 30} and Zr{sub 80}Pt{sub 20} are the quasicrystal (QC)-forming glassy alloys. > The QC phase precipitates by a cooperative motion of atoms or clusters. > Relatively perfect icosahedrons frequently exist around Zr in Zr{sub 70}Pd{sub 30}, however, distorted icosahedral-like clusters are formed around Zr and Pt in Zr{sub 80}Pt{sub 20}. > The QC phase formation originates from a different mechanism in the two alloys. - Abstract: We report the results of the local structural evaluation and mechanism of QC formation in the Zr{sub 70}Pd{sub 30} and Zr{sub 80}Pt{sub 20} glassy alloys. Voronoi analysis indicates the difference of local environment between two alloys. The perfect icosahedron frequently exists around Zr atom and major polyhedra have prism-like structure around Pd in Zr{sub 70}Pd{sub 30}. In contrast, icosahedral-like distorted polyhedra formation is favorable around Pt as well as Zr in Zr{sub 80}Pt{sub 20}. It is therefore, concluded that the quasicrystallization originates from the medium-range order based on the Zr-centered perfect icosahedron and the Pd-centered prism-like ones remain during the QC phase formation in Zr{sub 70}Pd{sub 30}. Icosahedral-like local structure around Zr and Pt might contribute together to the nucleation of QC phase in Zr{sub 80}Pt{sub 20}. This feature with a different mechanism of QC formation in the two alloys may correlate to the difference of solute concentration and the structure of stable crystalline phase after the decomposition of QC phase.

  8. The structure of light-front wavefunctions and constraints on hadronic form factors

    Energy Technology Data Exchange (ETDEWEB)

    Brodsky, S

    2003-11-19

    We study the analytic structure of light-front wave functions (LFWFs) and its consequences for hadron form factors using an explicitly Lorentz-invariant formulation of the front form. The normal to the light front is specified by a general null vector {omega}{sup {mu}}. The LFWFs with definite total angular momentum are eigenstates of a kinematic angular momentum operator and satisfy all Lorentz symmetries. They are analytic functions of the invariant mass squared of the constituents M{sub 0}{sup 2} = ({Sigma}k{sup {mu}}){sup 2} and the light-cone momentum fractions x{sub i} = k{sub i}{omega}/p{omega} multiplied by invariants constructed from the spin matrices, polarization vectors, and {omega}{sup {mu}}. These properties are illustrated using known nonperturbative eigensolutions of the Wick-Cutkosky model. We analyze the LFWFs introduced by Chung and Coester to describe static and low momentum properties of the nucleons. They correspond to the spin-locking of a quark with the spin of its parent nucleon, together with a positive-energy projection constraint. These extra constraints lead to anomalous dependence of form factors on Q rather than Q{sup 2}. In contrast, the dependence of LFWFs on M{sub 0}{sup 2} implies that hadron form factors are analytic functions of Q{sup 2} in agreement with dispersion theory and perturbative QCD. We show that a model incorporating the leading-twist perturbative QCD prediction is consistent with recent data for the ratio of proton Pauli and Dirac form factors.

  9. Magnetosheath Filamentary Structures Formed by Ion Acceleration at the Quasi-Parallel Bow Shock

    Science.gov (United States)

    Omidi, N.; Sibeck, D.; Gutynska, O.; Trattner, K. J.

    2014-01-01

    Results from 2.5-D electromagnetic hybrid simulations show the formation of field-aligned, filamentary plasma structures in the magnetosheath. They begin at the quasi-parallel bow shock and extend far into the magnetosheath. These structures exhibit anticorrelated, spatial oscillations in plasma density and ion temperature. Closer to the bow shock, magnetic field variations associated with density and temperature oscillations may also be present. Magnetosheath filamentary structures (MFS) form primarily in the quasi-parallel sheath; however, they may extend to the quasi-perpendicular magnetosheath. They occur over a wide range of solar wind Alfvénic Mach numbers and interplanetary magnetic field directions. At lower Mach numbers with lower levels of magnetosheath turbulence, MFS remain highly coherent over large distances. At higher Mach numbers, magnetosheath turbulence decreases the level of coherence. Magnetosheath filamentary structures result from localized ion acceleration at the quasi-parallel bow shock and the injection of energetic ions into the magnetosheath. The localized nature of ion acceleration is tied to the generation of fast magnetosonic waves at and upstream of the quasi-parallel shock. The increased pressure in flux tubes containing the shock accelerated ions results in the depletion of the thermal plasma in these flux tubes and the enhancement of density in flux tubes void of energetic ions. This results in the observed anticorrelation between ion temperature and plasma density.

  10. Structure and properties of composite films formed by cellulose nanocrystals and charged latex nanoparticles.

    Science.gov (United States)

    Thérien-Aubin, Héloïse; Lukach, Ariella; Pitch, Natalie; Kumacheva, Eugenia

    2015-04-21

    We report the structural and optical properties of composite films formed from mixed suspensions of cellulose nanocrystals (CNCs) and fluorescent latex nanoparticles (NPs). We explored the effect of NP concentration, size, surface charge, glass transition temperature and film processing conditions on film structure and properties. The chiral nematic order, typical of CNC films, was preserved in films with up to 50 wt% of negatively-charged latex NPs. Composite films were characterized by macroscopically close-to-uniform fluorescence, birefringence, and circular dichroism properties. In contrast, addition of positively charged latex NPs led to gelation of CNC-latex suspensions and disruption of the chiral nematic order in the composite films. Large latex NPs disrupted the chiral nematic order to a larger extend than small NPs. Furthermore, the glass transition of latex NPs had a dramatic effect on the structure of CNC-latex films. Latex particles in the rubbery state were easily incorporated in the ordered CNC matrix and improved the structural integrity of its chiral nematic phase.

  11. Structural predictor for nonlinear sheared dynamics in simple glass-forming liquids.

    Science.gov (United States)

    Ingebrigtsen, Trond S; Tanaka, Hajime

    2018-01-02

    Glass-forming liquids subjected to sufficiently strong shear universally exhibit striking nonlinear behavior; for example, a power-law decrease of the viscosity with increasing shear rate. This phenomenon has attracted considerable attention over the years from both fundamental and applicational viewpoints. However, the out-of-equilibrium and nonlinear nature of sheared fluids have made theoretical understanding of this phenomenon very challenging and thus slower to progress. We find here that the structural relaxation time as a function of the two-body excess entropy, calculated for the extensional axis of the shear flow, collapses onto the corresponding equilibrium curve for a wide range of pair potentials ranging from harsh repulsive to soft and finite. This two-body excess entropy collapse provides a powerful approach to predicting the dynamics of nonequilibrium liquids from their equilibrium counterparts. Furthermore, the two-body excess entropy scaling suggests that sheared dynamics is controlled purely by the liquid structure captured in the form of the two-body excess entropy along the extensional direction, shedding light on the perplexing mechanism behind shear thinning.

  12. Structural predictor for nonlinear sheared dynamics in simple glass-forming liquids

    Science.gov (United States)

    Ingebrigtsen, Trond S.; Tanaka, Hajime

    2018-01-01

    Glass-forming liquids subjected to sufficiently strong shear universally exhibit striking nonlinear behavior; for example, a power-law decrease of the viscosity with increasing shear rate. This phenomenon has attracted considerable attention over the years from both fundamental and applicational viewpoints. However, the out-of-equilibrium and nonlinear nature of sheared fluids have made theoretical understanding of this phenomenon very challenging and thus slower to progress. We find here that the structural relaxation time as a function of the two-body excess entropy, calculated for the extensional axis of the shear flow, collapses onto the corresponding equilibrium curve for a wide range of pair potentials ranging from harsh repulsive to soft and finite. This two-body excess entropy collapse provides a powerful approach to predicting the dynamics of nonequilibrium liquids from their equilibrium counterparts. Furthermore, the two-body excess entropy scaling suggests that sheared dynamics is controlled purely by the liquid structure captured in the form of the two-body excess entropy along the extensional direction, shedding light on the perplexing mechanism behind shear thinning.

  13. Microorganisms form exocellular structures, trophosomes, to facilitate biodegradation of oil in aqueous media.

    Science.gov (United States)

    Dmitriev, Vladimir V; Crowley, David; Rogachevsky, Vadim V; Negri, Cristina Maria; Rusakova, Tatiana G; Kolesnikova, Svetlana A; Akhmetov, Lenar I

    2011-02-01

    Cytochemical staining and microscopy were used to study the trophic structures and cellular morphotypes that are produced during the colonization of oil-water interfaces by oil-degrading yeasts and bacteria. Among the microorganisms studied here, the yeasts (Schwanniomyces occidentalis, Torulopsis candida, Candida tropicalis, Candida lipolytica, Candida maltosa, Candida paralipolytica) and two representative bacteria (Rhodococcus sp. and Pseudomonas putida) produced exocellular structures composed of biopolymers during growth on petroleum hydrocarbons. Four of the yeasts including S. occidentalis, T. candida, C. tropicalis and C. maltosa excreted polymers through modified sites in their cell wall ('canals'), whereas C. lipolytica and C. paralipolytica and the two bacterial species secreted polymers over the entire cell surface. These polymers took the form of fibrils and films that clogged pores and cavities on the surfaces of the oil droplets. A three-dimensional reconstruction of the cavities using serial thin sections showed that the exopolymer films isolated the ambient aqueous medium together with microbial cells and oil to form both closed and open granules that contained pools of oxidative enzymes utilized for the degradation of the oil hydrocarbons. The formation of such granules, or 'trophosomes,' appears to be a fundamental process that facilitates the efficient degradation of oil in aqueous media. © 2010 Federation of European Microbiological Societies. Published by Blackwell Publishing Ltd. All rights reserved.

  14. Multiple Forms of Glutamate Dehydrogenase in Animals: Structural Determinants and Physiological Implications

    Directory of Open Access Journals (Sweden)

    Victoria Bunik

    2016-12-01

    Full Text Available Glutamate dehydrogenase (GDH of animal cells is usually considered to be a mitochondrial enzyme. However, this enzyme has recently been reported to be also present in nucleus, endoplasmic reticulum and lysosomes. These extramitochondrial localizations are associated with moonlighting functions of GDH, which include acting as a serine protease or an ATP-dependent tubulin-binding protein. Here, we review the published data on kinetics and localization of multiple forms of animal GDH taking into account the splice variants, post-translational modifications and GDH isoenzymes, found in humans and apes. The kinetic properties of human GLUD1 and GLUD2 isoenzymes are shown to be similar to those published for GDH1 and GDH2 from bovine brain. Increased functional diversity and specific regulation of GDH isoforms due to alternative splicing and post-translational modifications are also considered. In particular, these structural differences may affect the well-known regulation of GDH by nucleotides which is related to recent identification of thiamine derivatives as novel GDH modulators. The thiamine-dependent regulation of GDH is in good agreement with the fact that the non-coenzyme forms of thiamine, i.e., thiamine triphosphate and its adenylated form are generated in response to amino acid and carbon starvation.

  15. Heterogeneous Seeding of a Prion Structure by a Generic Amyloid Form of the Fungal Prion-forming Domain HET-s(218-289)

    Energy Technology Data Exchange (ETDEWEB)

    Wan, William; Bian, Wen; McDonald, Michele; Kijac, Aleksandra; Wemmer, David E.; Stubbs, Gerald [UCB; (Vanderbilt); (LBNL)

    2013-11-13

    The fungal prion-forming domain HET-s(218–289) forms infectious amyloid fibrils at physiological pH that were shown by solid-state NMR to be assemblies of a two-rung β-solenoid structure. Under acidic conditions, HET-s(218–289) has been shown to form amyloid fibrils that have very low infectivity in vivo, but structural information about these fibrils has been very limited. We show by x-ray fiber diffraction that the HET-s(218–289) fibrils formed under acidic conditions have a stacked β-sheet architecture commonly found in short amyloidogenic peptides and denatured protein aggregates. At physiological pH, stacked β-sheet fibrils nucleate the formation of the infectious β-solenoid prions in a process of heterogeneous seeding, but do so with kinetic profiles distinct from those of spontaneous or homogeneous (seeded with infectious β-solenoid fibrils) fibrillization. Several serial passages of stacked β-sheet-seeded solutions lead to fibrillization kinetics similar to homogeneously seeded solutions. Our results directly show that structural mutation can occur between substantially different amyloid architectures, lending credence to the suggestion that the processes of strain adaptation and crossing species barriers are facilitated by structural mutation.

  16. Unique hyper-thermal composting process in Kagoshima City forms distinct bacterial community structures.

    Science.gov (United States)

    Tashiro, Yukihiro; Tabata, Hanae; Itahara, Asuka; Shimizu, Natsuki; Tashiro, Kosuke; Sakai, Kenji

    2016-11-01

    A unique compost, Satsuma soil, is produced from three types of wastewater sludge using hyper-thermal processes at temperatures much higher than that of general thermophilic processes in Kagoshima City, Japan. We analyzed the bacterial community structures of this hyper-thermal compost sample and other sludges and composts by a high-throughput barcoded pyrosequencing method targeting the 16S rRNA gene. In total, 621,076 reads were derived from 17 samples and filtered. Artificial sequences were deleted and the reads were clustered based on the operational taxonomic units (OTUs) at 97% similarity. Phylum-level analysis of the hyper-thermal compost revealed drastic changes of the sludge structures (each relative abundance) from Firmicutes (average 47.8%), Proteobacteria (average 22.3%), and Bacteroidetes (average 10.1%) to two main phyla including Firmicutes (73.6%) and Actinobacteria (25.0%) with less Proteobacteria (∼0.3%) and Bacteroidetes (∼0.1%). Furthermore, we determined the predominant species (each relative abundance) of the hyper-thermal compost including Firmicutes related to Staphylococcus cohnii (13.8%), Jeotgalicoccus coquinae (8.01%), and Staphylococcus lentus (5.96%), and Actinobacteria related to Corynebacterium stationis (6.41%), and found that these species were not predominant in wastewater sludge. In contrast, we did not observe any common structures among eight other composts produced, using the hyper-thermal composts as the inoculums, under thermophilic conditions from different materials. Principle coordinate analysis of the hyper-thermal compost indicated a large difference in bacterial community structures from material sludge and other composts. These results suggested that a distinct bacterial community structure was formed by hyper-thermal composting. Copyright © 2016 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  17. Crystal structure of the fluorescent protein from Dendronephthya sp. in both green and photoconverted red forms.

    Science.gov (United States)

    Pletneva, Nadya V; Pletnev, Sergei; Pakhomov, Alexey A; Chertkova, Rita V; Martynov, Vladimir I; Muslinkina, Liya; Dauter, Zbigniew; Pletnev, Vladimir Z

    2016-08-01

    The fluorescent protein from Dendronephthya sp. (DendFP) is a member of the Kaede-like group of photoconvertible fluorescent proteins with a His62-Tyr63-Gly64 chromophore-forming sequence. Upon irradiation with UV and blue light, the fluorescence of DendFP irreversibly changes from green (506 nm) to red (578 nm). The photoconversion is accompanied by cleavage of the peptide backbone at the C(α)-N bond of His62 and the formation of a terminal carboxamide group at the preceding Leu61. The resulting double C(α)=C(β) bond in His62 extends the conjugation of the chromophore π system to include imidazole, providing the red fluorescence. Here, the three-dimensional structures of native green and photoconverted red forms of DendFP determined at 1.81 and 2.14 Å resolution, respectively, are reported. This is the first structure of photoconverted red DendFP to be reported to date. The structure-based mutagenesis of DendFP revealed an important role of positions 142 and 193: replacement of the original Ser142 and His193 caused a moderate red shift in the fluorescence and a considerable increase in the photoconversion rate. It was demonstrated that hydrogen bonding of the chromophore to the Gln116 and Ser105 cluster is crucial for variation of the photoconversion rate. The single replacement Gln116Asn disrupts the hydrogen bonding of Gln116 to the chromophore, resulting in a 30-fold decrease in the photoconversion rate, which was partially restored by a further Ser105Asn replacement.

  18. Shallow gas seismic structures: forms and distribution on Santa Catarina Island, Southern Brazil

    Directory of Open Access Journals (Sweden)

    Antonio Henrique da Fontoura Klein

    Full Text Available Abstract This paper presents the spatial distribution of shallow gas structures and classifies them on the basis of two different data sets of CHIRP seismic records, one from the Conceição Lagoon (CL and the other from North Bay (NB, both on Santa Catarina Island, Southern Brazil. Side scan sonar data from the CL were used to facilitate the understanding. The sub bottom (SB seismic data were processed and interpreted by means of the SeisPrho software, the side scan sonar (SSS data by SonarWiz5 software and the spatial extension being measured with the help of GIS. The shallow gas structures were defined in accordance with their shapes in the seismic recordings (echo-character. At the CL, shallow gas accumulations were found in the form of seepages and features presenting shallow gas structures between the surface and 8.20 ms (around 12.3 m. Accumulations of gas were found in the form of Acoustic Blanking with Acoustic Plume, and also Black Shadows. Pockmarks were found on the lagoon floor and associated with gas seepages (average size diameter 0.97 ± 0.19 m and density from 54 to 242 units per 50 m2. In the NB three types of shallow gas features were found in the seismic profile, namely Acoustic Blanking, Turbidity Pinnacles and Intra-sedimentary plumes. The depth varied from the surface to 12.10 ms (around 18.15 m. In both environments, the gas is escaping from the sediment into the water column. The Pockmarks in the CL and the Acoustic Plume features and sediment rich in total sulfur in the NB validate these findings.

  19. Composition and molecular scale structure of nanophases formed by precipitation of biotite weathering products

    Science.gov (United States)

    Tamrat, Wuhib Zewde; Rose, Jérôme; Grauby, Olivier; Doelsch, Emmanuel; Levard, Clément; Chaurand, Perrine; Basile-Doelsch, Isabelle

    2018-05-01

    Because of their large surface area and reactivity, nanometric-size soil mineral phases have a high potential for soil organic matter stabilization, contaminant sorption or soil aggregation. In the literature, Fe and Al phases have been the main targets of batch-synthesized nanomineral studies while nano-aluminosilicates (Al and Si phases) have been mainly studied in Andic soils. In the present work, we synthesized secondary nanophases of Fe, Al and Si. To simulate a system as close as possible to soil conditions, we conducted laboratory simulations of the processes of (1) biotite alteration in acidic conditions producing a Al Si Fe Mg K leachate solution and (2) the following neoformation of secondary nanophases by titrating the leachate solution to pH 4.2, 5 and 7. The morphology of the nanophases, their size, crystallinity and chemistry were characterized by TEM-EDX on single particles and their local atomic structure by EXAFS (Extended X-ray Absorption Fine Structure) at the Fe absorption K-edge. The main nanophases formed were amorphous particles 10-60 nm in size whose composition (dominated by Fe and Si) was strongly controlled by the pH conditions at the end of the titration. At pH 4.2 and pH 7, the structure of the nanophases was dominated by the polymerization of Fe, which was hindered by Al, Si, Mg and K. Conversely, at pH 5, the polymerization of Fe was counteracted by precipitation of high amounts of Si. The synthetized nanophases were estimated to be rather analogous to nanophases formed in natural biotite-bearing soils. Because of their small size and potential high surface reactivity, the adsorption capacities of these nanophases with respect to the OM should be revisited in the framework of soil C storage.

  20. Patterns of Leaf Biochemical and Structural Properties of Cerrado Life Forms: Implications for Remote Sensing

    Science.gov (United States)

    Ball, Aaron; Sanchez-Azofeifa, Arturo; Portillo-Quintero, Carlos; Rivard, Benoit; Castro-Contreras, Saulo; Fernandes, Geraldo

    2015-01-01

    Aim The general goal of this study is to investigate and analyze patterns of ecophysiological leaf traits and spectral response among life forms (trees, shrubs and lianas) in the Cerrado ecosystem. In this study, we first tested whether life forms are discriminated through leaf level functional traits. We then explored the correlation between leaf-level plant functional traits and spectral reflectance. Location Serra do Cipo National Park, Minas Gerais, Brazil. Methods Six ecophysiological leaf traits were selected to best characterize differences between life forms in the woody plant community of the Cerrado. Results were compared to spectral vegetation indices to determine if plant groups provide means to separate leaf spectral responses. Results Values obtained from leaf traits were similar to results reported from other tropical dry sites. Trees and shrubs significantly differed from lianas in terms of the percentage of leaf water content and Specific Leaf Area. Spectral indices were insufficient to capture the differences of these key traits between groups, though indices were still adequately correlated to overall trait variation. Conclusion The importance of life forms as biochemical and structurally distinctive groups is a significant finding for future remote sensing studies of vegetation, especially in arid and semi-arid environments. The traits we found as indicative of these groups (SLA and water content) are good candidates for spectral characterization. Future studies need to use the full wavelength (400 nm–2500 nm) in order to capture the potential response of these traits. The ecological linkage to water balance and life strategies encourages these traits as starting points for modeling plant communities using hyperspectral remote sensing. PMID:25692675

  1. X-Ray structure of a truncated form of cytochrome f from chlamydomonas Reinhardtii

    Energy Technology Data Exchange (ETDEWEB)

    Chi, Young-In; Huang, Li-Shar; Zhang, Zhaolei; Fernando-Velasquez, Javier G.; Berry, E. A.

    2000-03-01

    A truncated form of cytochrome f from Chlamydomonas Reinhardtii (an important eukaryotic model organism for photosynthetic electron transfer studies) has been crystallized (space group P212121; 3 molecules/ asymmetric unit) and its structure determined to 2.0 Angstrom by molecular replacement using the coordinates of a truncated turnip cytochrome f as a model. The structure displays the same folding and detailed features as turnip cytochrome f including: (a) an unusual heme Fe ligation by alpha-amino group of tyrosine 1, (b) a cluster of lysine residues (proposed docking site of plastocyanin), and (c) the presence of a chain of 7 water molecules bound to conserved residues and extending between the heme pocket and K58 and K66 at the lysine cluster. For this array of waters we propose a structural role. Two cytochrome f molecules are related by a non-crystallographic symmetry operator which is a distorted proper 2-fold rotation. This may represent the dimeric relation of the monomers in situ, however the heme orientation suggested by this model is not consistent with previous epr measurements on oriented membranes.

  2. Organizing DNA Origami Tiles Into Larger Structures Using Pre-formed Scaffold Frames

    Science.gov (United States)

    Zhao, Zhao; Liu, Yan; Yan, Hao

    2012-01-01

    Structural DNA nanotechnology utilizes DNA molecules as programmable information-coding polymers to create higher order structures at the nanometer scale. An important milestone in structural DNA nanotechnology was the development of scaffolded DNA origami in which a long single-stranded viral genome (scaffold strand) is folded into arbitrary shapes by hundreds of short synthetic oligonucleotides (staple strands). The achievable dimensions of the DNA origami tiles units are currently limited by the length of the scaffold strand. Here we demonstrate a strategy referred to as ‘super-origami’ or ‘origami of origami’ to scale up DNA origami technology. First, this method uses a collection of bridge strands to pre-fold a single stranded DNA scaffold into a loose framework. Subsequently, pre-formed individual DNA origami tiles are directed onto the loose framework so that each origami tile serves as a large staple. Using this strategy, we demonstrate the ability to organize DNA origami nanostructures into larger spatially addressable architectures. PMID:21682348

  3. Structure of mixed clusters formed in supersonic jets of gas mixtures Ar-N2

    International Nuclear Information System (INIS)

    Danil'chenko, A.G.; Kovalenko, S.I.; Samovarov, V.N.

    2007-01-01

    The electron diffraction study of substrate-free clusters formed from nanodrops in expanding supersonic jets of gas mixtures Ar-N 2 was carrier out. The average characteristic size of the clusters was varied from 20 to 200 A (angstrom), the cluster temperature being 40 K. The argon content in the gas mixture covered the whole concentration range. The experiments displayed the effect of argon enrichment of the mixed clusters Ar-N 2 . A method of determining the absolute component concentration in clusters was proposed. For the first time, the structures of clusters was established as a function of their size and component concentration. The obtained diagram of structural states is compared with literature data for bulk samples grown from the liquid phase. It is found, that with increase in cluster size occurs a FCC-HCP transformations while increase in argon concentration one can observe a HCP-HCP+FCC transformation, not revealed in bulk solutions. The mutual transformations of such structures in clusters occur without any change of interatomic distance

  4. ASSESSMENT FORM - NEW IMPROVEMENT OF ACTIONS: CONCENTRATION AND RESEARCH AREAS / CURRICULUM STRUCTURE / FUNDRAISING

    Directory of Open Access Journals (Sweden)

    Iracema MP Calderon

    Full Text Available Objective: This review aims to develop a critical and current analysis of the basic structure of a Postgraduate program for proposing improvement actions and new evaluation criteria. Method: To examine the items that are areas of concentration (AC, research lines (LP, research projects (PP, curricular structure and fundraising were consulted the Area Document, the 2013 Evaluation Report and the Assessment Sheets of Medicine III programs, evaluated in the 2010-2012 period. Results: Consistency is recommended especially among AC, LP and PP, with genuine link between activities and permanent teachers skills and based on structured curriculum in the education of the student. The Program Proposal interfere, and much, in qualifying a program. The curriculum should provide subsidy to the formation of the researcher, through the core subjects, and development of PP, being the concept of disciplines to support lines and research projects. Fundraise should be set out in research projects and in the CV-Lattes. The area recommended that at least 40-50% of permanent teachers present fundraising and the minimum 20-25% of these teachers to have productivity scholarship PQ / CNPq during the triennium. Conclusion: It is necessary to promote wide discussion and find a consensus denominator for these issues. The actions should contribute to the improvement of evaluation forms and certainly for the qualification of the programs but graduate.

  5. Cavitation structures formed during the rebound of a sphere from a wetted surface

    KAUST Repository

    Marston, Jeremy

    2010-09-28

    We use high-speed imaging to observe the dynamics of cavitation, caused by the impact and subsequent rebound of a sphere from a solid surface covered with a thin layer of highly viscous liquid. We note marked qualitative differences between the cavitation structures with increase in viscosity, as well as between Newtonian and non-Newtonian liquids. The patterns observed are quite unexpected and intricate, appearing in concentric ring formations around the site of impact. In all cases, we identify a distinct radius from which the primary bubbles emanate. This radius is modelled with a modified form of Hertz contact theory. Within this radius, we show that some fine cavitation structure may exist or that it may be one large cavitation bubble. For the non-Newtonian fluids, we observe foam-like structures extending radially with diminishing bubble sizes with increase in radial position. Whereas for the Newtonian fluids, the opposite trend is observed with increasing bubble size for increasing radial position. Finally, we compare our experimental observations of cavitation to the maximum tension criterion proposed by Joseph (J Fluid Mech 366:367-378, 1998) showing that this provides the lower limit for the onset of cavitation in our experiments. © 2010 Springer-Verlag.

  6. Crystalline structure of the marketed form of Rifampicin: a case of conformational and charge transfer polymorphism

    Science.gov (United States)

    de Pinho Pessoa Nogueira, Luciana; de Oliveira, Yara S.; de C. Fonseca, Jéssica; Costa, Wendell S.; Raffin, Fernanda N.; Ellena, Javier; Ayala, Alejandro Pedro

    2018-03-01

    Rifampicin is a semi-synthetic drug derived from rifamycin B, and currently integrates the fixed dose combination tablet formulations used in the treatment of tuberculosis. It is also used in the leprosy polychemotherapy and prophylaxis, which are diseases classified as neglected according to the World Health Organization. Rifampicin is a polymorphic drug and its desirable polymorphic form is labeled as II, being the main goal of this study the elucidation of its crystalline structure. Polymorph II is characterized by two molecules with different conformations in the asymmetric unit and the following lattice parameters: a = 14.0760 (10) Å, b = 17.5450 (10) Å, c = 17.5270 (10) Å, β = 92.15°. Differently to the previously reported structures, a charge transference from the hydroxyl group of the naphthoquinone of one conformer to the nitrogen of the piperazine group of the second conformer was observed. The relevance of the knowledge of this crystalline structure, which is the preferred polymorph for pharmaceutical formulations, was evidenced by analyzing raw materials with polymorphic mixtures. Thus, the results presented in this contribution close an old information gap allowing the complete solid-state characterization of rifampicin.

  7. The Internal Structure of Responses to the Trait Emotional Intelligence Questionnaire-Short Form: An Exploratory Structural Equation Modeling Approach.

    Science.gov (United States)

    Perera, Harsha N

    2015-01-01

    Notwithstanding the wide use of the Trait Emotional Intelligence Questionnaire-Short Form (TEIQue-SF) as a brief assessment of trait emotional intelligence (TEI), the psychometric properties of this measure have not been systematically examined. This article reports on research conducted to evaluate the latent structure underlying TEIQue-SF item data and test the gender invariance of scores as critical initial steps in determining the psychometric robustness of the inventory. In doing so, the article demonstrates an application of exploratory structural equation modeling as an alternative to the more restrictive independent clusters model of confirmatory factor analysis for examining factorially complex personality data. On the basis of 476 responses to the TEIQue-SF, evidence was obtained for the multidimensionality of the inventory reflected in a retained correlated traits solution. Tests of gender invariance revealed equivalence of item factor loadings, intercepts, uniquenesses, correlated uniquenesses, and the factor variance-covariance matrix, but not latent means. Men were found to be moderately higher on self-control and sociability than women, whereas women scored marginally higher on emotionality than men. No significant gender differences were found on mean levels of well-being. The benefits of the multidimensionality of the TEIQue-SF, limitations of the study, and directions for future research are discussed.

  8. Resilin and chitinous cuticle form a composite structure for energy storage in jumping by froghopper insects

    Directory of Open Access Journals (Sweden)

    Shaw Stephen R

    2008-09-01

    Full Text Available Abstract Background Many insects jump by storing and releasing energy in elastic structures within their bodies. This allows them to release large amounts of energy in a very short time to jump at very high speeds. The fastest of the insect jumpers, the froghopper, uses a catapult-like elastic mechanism to achieve their jumping prowess in which energy, generated by the slow contraction of muscles, is released suddenly to power rapid and synchronous movements of the hind legs. How is this energy stored? Results The hind coxae of the froghopper are linked to the hinges of the ipsilateral hind wings by pleural arches, complex bow-shaped internal skeletal structures. They are built of chitinous cuticle and the rubber-like protein, resilin, which fluoresces bright blue when illuminated with ultra-violet light. The ventral and posterior end of this fluorescent region forms the thoracic part of the pivot with a hind coxa. No other structures in the thorax or hind legs show this blue fluorescence and it is not found in larvae which do not jump. Stimulating one trochanteral depressor muscle in a pattern that simulates its normal action, results in a distortion and forward movement of the posterior part of a pleural arch by 40 μm, but in natural jumping, the movement is at least 100 μm. Conclusion Calculations showed that the resilin itself could only store 1% to 2% of the energy required for jumping. The stiffer cuticular parts of the pleural arches could, however, easily meet all the energy storage needs. The composite structure therefore, combines the stiffness of the chitinous cuticle with the elasticity of resilin. Muscle contractions bend the chitinous cuticle with little deformation and therefore, store the energy needed for jumping, while the resilin rapidly returns its stored energy and thus restores the body to its original shape after a jump and allows repeated jumping.

  9. An Examination of the Structure of the Career Decision Self-Efficacy Scale (Short Form) among Italian High School Students

    Science.gov (United States)

    Presti, Alessandro Lo; Pace, Francesco; Mondo, Marina; Nota, Laura; Casarubia, Provvidenza; Ferrari, Lea; Betz, Nancy E.

    2013-01-01

    This study aims to evaluate the factor structure of Career Decision Self-Efficacy scale-short form in a sample of Italian high school adolescents. confirmatory factor analysis (CFA) was used to test the degree to which a one-factor structure and a five-factor structure provided the best fit. In view of available research the five-factor structure…

  10. Form-finding of complex tensegrity structures: application to cell cytoskeleton modelling

    Science.gov (United States)

    Baudriller, Haïmad; Maurin, Bernard; Cañadas, Patrick; Montcourrier, Philippe; Parmeggiani, Andrea; Bettache, Nadir

    2006-11-01

    The ability to model the mechanical behaviour of the cell cytoskeleton as realistically as possible is a key point in understanding numerous biological mechanisms. Tensegrity systems have already demonstrated their pertinence for this purpose. However, the structures considered until now are based only on models with simplified geometry and topology compared to the true complexity of cytoskeleton architecture. The aim of this Note is to propose a form-finding method for generating nonregular tensegrity shapes of higher diversity and complexity. The process relies on the use of the dynamic relaxation method. Further improvements have made it possible to control the computed morphologies and to modify them to approach experimentally observed configurations. Various examples illustrate the use of the method and the results obtained for different cell typologies. To cite this article: H. Baudriller et al., C. R. Mecanique 334 (2006).

  11. Field-aligned plasma-potential structure formed by local electron cyclotron resonance

    International Nuclear Information System (INIS)

    Hatakeyama, Rikizo; Kaneko, Toshiro; Sato, Noriyoshi

    2001-01-01

    The significance of basic experiments on field-aligned plasma-potential structure formed by local electron cyclotron resonance (ECR) is claimed based on the historical development of the investigation on electric double layer and electrostatic potential confinement of open-ended fusion-oriented plasmas. In the presence of a single ECR point in simple mirror-type configurations of magnetic field, a potential dip (thermal barrier) appears around this point, being followed by a subsequent potential hump (plug potential) along a collisionless plasma flow. The observed phenomenon gives a clear-cut physics to the formation of field-aligned plug potential with thermal barrier, which is closely related to the double layer formation triggered by a negative dip. (author)

  12. The Structure of the Nearby Giant Star-Forming Region 30 Doradus

    Science.gov (United States)

    Pellegrini, Eric; Baldwin, Jack; Hanson, Margaret; Ferland, Gary; Troland, Thomas

    2007-08-01

    The rates of star formation and chemical evolution are controlled in part by the interaction of stellar radiation and winds with the remnant molecular gas from which the stars have formed. We are carrying out a detailed, panchromatic study of these processes in the two nearest giant star-forming regions, 30 Doradus and NGC 3603, as an aide in understanding the nature of Giant Extragalactic H II Regions, starbursts, and Ultra-Luminous IR Galaxies. We recently completed our observations of NGC 3603. Here we request 2 nights on the Blanco telescope to obtain a dense grid of optical long-slit spectra criss- crossing 30 Dor. These will cover the [S II] doublet (to measure N_e) and also [O III], H(beta), [O I], H(alpha) and [N II] to measure the ionization mechanism and ionization parameter, at ~3800 different spots in the nebula. We also request 3 nights on SOAR to take K-band long slit spectra covering H^+ Br(gamma) and several H_2 lines across three representative edge-on ionization fronts in 30 Dor. The IR spectra will be taken in locations also covered by the optical spectra, and will tell us about the structure, pressure support and heating mechanisms in the photo-dissociation regions (PDRs) at these points. Either half of this project can stand on its own, but both parts together will permit the PI to complete his PhD thesis.

  13. Quadratic solid-shell elements for nonlinear structural analysis and sheet metal forming simulation

    Science.gov (United States)

    Wang, Peng; Chalal, Hocine; Abed-Meraim, Farid

    2017-01-01

    In this paper, two quadratic solid-shell (SHB) elements are proposed for the three-dimensional modeling of thin structures. These consist of a 20-node hexahedral solid-shell element, denoted SHB20, and its 15-node prismatic counterpart, denoted SHB15. The formulation of these elements is extended in this work to include geometric and material nonlinearities, for application to problems involving large displacements and rotations as well as plasticity. For this purpose, the SHB elements are coupled with large-strain anisotropic elasto-plastic constitutive equations for metallic materials. Although based on a purely three-dimensional approach, several modifications are introduced in the formulation of these elements to provide them with interesting shell features. In particular, a special direction is chosen to represent the thickness, along which a user-defined number of integration points are located. Furthermore, for efficiency requirements and for alleviating locking phenomena, an in-plane reduced-integration scheme is adopted. The resulting formulations are implemented into the finite element software ABAQUS/Standard and, to assess their performance, a variety of nonlinear benchmark problems are investigated. Attention is then focused on the simulation of various complex sheet metal forming processes, involving large strain, anisotropic plasticity, and double-sided contact. From all simulation results, it appears that the SHB elements represent an interesting alternative to traditional shell and solid elements, due to their versatility and capability of accurately modeling selective nonlinear benchmark problems as well as complex sheet metal forming processes.

  14. Phytosterol Profiles of Common Foods and Estimated Natural Intake of Different Structures and Forms in China.

    Science.gov (United States)

    Wang, Mengmeng; Huang, Weisu; Hu, Yinzhou; Zhang, Liangxiao; Shao, Yafang; Wang, Meng; Zhang, Fang; Zhao, Ziyan; Mei, Xiaohong; Li, Tao; Wang, Donghui; Liang, Ying; Li, Jing; Huang, Yining; Zhang, Liuquan; Xu, Tao; Song, Huaxin; Zhong, Yongheng; Lu, Baiyi

    2018-03-21

    Phytosterols are well-known for their cholesterol-lowering effects, and the structures and forms of phytosterols affect their bioactivity. We aimed to illustrate the phytosterol profiles in common foods and estimate their natural intake in five geographical regions and among different age groups in China. In total, 12 phytosterols in free and esterified forms of 119 foods from five regions across China were examined using gas chromatography-mass spectrometry. Then, the dietary intake of phytosterols was calculated combined with the dietary foods intake data of Chinese people. The total phytosterol content was highest in vegetable oils (150.4-1230.9 mg/100 g), followed by legumes (129.6-275.6 mg/100 g), nuts (18.9-255.2 mg/100 g), and cereals (11.9-93.8 mg/100 g). Vegetables and fruits contained lower contents of total phytosterols. Phytosterols were mainly esterified in most common foods except in nuts. The predominant phytosterols were β-sitosterol, campesterol, and stigmasterol, all of which belonged to plant sterols and 4-desmethylsterols. Total phytosterol intake varied across different regions, ranging between 257.7 and 473.7 mg/standard-person (sp)/day, with the highest intake in Beijing, followed by Hangzhou, Wuhan, Chongqing, and Guangzhou. However, phytosterol proportion was similar across regions, with β-sitosterol accounting for 46.5-50.3% of the natural intake. Phytosterol intake was mainly constituted by plant sterols and 4-desmethylsterols in esterified form (61.9-74.6%). At the age of 2-70 years, phytosterol intake ranged from 154.3 mg/day to 348.0 mg/day in the national scale.

  15. Structured printed referral letter (form letter; saves time and improves communication

    Directory of Open Access Journals (Sweden)

    R.P.J.C. Ramanayake

    2013-01-01

    Full Text Available Referral of patients to hospitals, specialists and other institutions is an essential part of primary health care. Patients are referred to specialists when investigation or therapeutic options are exhausted in primary care or when opinion or advice is needed from them. Referral has considerable implications for patients, health care system and health care costs. Good communication between primary and secondary care is essential for the smooth running of any health care system. Referral and reply letters are the sole means of communication between doctors most of the time and breakdown in communication could lead to poor continuity of care, delayed diagnoses, polypharmacy, increased litigation risk and unnecessary testing. A referral letter also helps to avoid patient dissatisfaction and loss of confidence in family physician. Studies of referral letters have reported that specialists are dissatisfied with their quality and content. Inclusion of letter writing skills in the medical curriculum, peer assessment and feedback have shown to improve the quality of referral letters. . Form letters have shown to enhance information content and communication in referral process. In Sri Lanka referral letters are usually hand written and frequent complaints are that these letters do not contain adequate information and retrieval of information is a problem due to poor legibility and clarity. Sometimes Primary care doctors refer patients to hospitals and specialists with only verbal instructions. To address these short comings this form letter was introduced. Based on the guidelines and systematic review of published articles, items of information to be included were decided. Printed forms of the letter are kept in the practice and the doctor has to just fill up relevant information under each heading. The objectives of introducing this structured referral letter was to improve the quality and standard of referral letters and save time for both general

  16. The plant economics spectrum is structured by leaf habits and growth forms across subtropical species.

    Science.gov (United States)

    Zhao, Yan-Tao; Ali, Arshad; Yan, En-Rong

    2017-02-01

    The plant economics spectrum that integrates the combination of leaf and wood syndromes provides a useful framework for the examination of species strategies at the whole-plant level. However, it remains unclear how species that differ in leaf habits and growth forms are integrated within the plant economics spectrum in subtropical forests. We measured five leaf and six wood traits across 58 subtropical plant species, which represented two leaf habits (evergreen vs deciduous) and two growth forms (tree vs shrub) in eastern China. Principal component analysis (PCA) was employed separately to construct the leaf (LES), wood (WES) and whole-plant (WPES) economics spectra. Leaf and wood traits are highly intra- and intercorrelated, thus defining not only the LES and WES, but also a WPES. Multi-trait variations in PCAs revealed that the traits which were representative of the acquisitive strategy, i.e., cheap tissue investment and rapid returns on that investment, were clustered at one end, while traits that represented the conservative strategy, i.e., expensive tissue investment and slower returns, were clustered at other end in each of the axes of the leaf and wood syndromes (PC1-axis) and the plant height strategy (PC2-axis). The local WPES, LES and WES were tightly correlated with each other. Evergreens shaped the conservative side, while deciduous species structured the acquisitive side of the WPES and LES. With respect to plant height strategies, trees formulated the acquisitive side and shrub species made up the conservative side of the WPES, LES and WES. In conclusion, our results suggested that the LES and WES were coordinated to a WPES for subtropical species. The finding of this local spectrum of plant form and function would be beneficial for modeling nutrient fluxes and species compositions in the changing climate, but also for understanding species strategies in an evolutionary context. © The Author 2016. Published by Oxford University Press. All rights

  17. STRUCTURAL AND FUNCTIONAL MODEL OF FORMING INFORMATIONAL COMPETENCE OF TECHNICAL UNIVERSITY STUDENTS

    Directory of Open Access Journals (Sweden)

    Taras Ostapchuk

    2016-11-01

    Full Text Available The article elaborates and analyses the structural and functional model of formation of information competence of technical university students. The system and mutual relationships between its elements are revealed. It is found out that the presence of the target structure of the proposed model, process and result-evaluative blocks ensure its functioning and the opportunity to optimize the learning process for technical school students’ information training. It is established that the formation of technical university students’ information competence based on components such as motivational value, as well as operational activity, cognitive, and reflexive one. These criteria (motivation, operational and activity, cognitive, reflective, indexes and levels (reproductive, technologized, constructive forming technical university students’ information competence are disclosed. Expediency of complex organizational and educational conditions in the stages of information competence is justified. The complex organizational and pedagogical conditions include: orientation in the organization and implementation of class work for technical university students’ positive value treatment; the issue of forming professionalism; informatization of educational and socio-cultural environment of higher technical educational institutions; orientation of technical university students’ training to the demands of European and international standards on information competence as a factor in the formation of competitiveness at the labor market; introducing a special course curriculum that will provide competence formation due to the use of information technology in professional activities. Forms (lecture, visualization, problem lecture, combined lecture, scientific online conference, recitals, excursions, etc., tools (computer lab, multimedia projector, interactive whiteboard, multimedia technology (audio, video, the Internet technologies; social networks, etc

  18. Complexing in the systems of thorium tetrabromide-alkali metal bromide and structure of formed compounds

    International Nuclear Information System (INIS)

    Gershanovich, A.Ya.; Suglobova, I.G.

    1981-01-01

    Phase diagrams of the ThBr 4 -MBr binary systems (M=Na, K, Rb, Cs) are obtained using the methods of thermographic and X-ray phase analyses. Congruently melting compounds of the M 2 ThBr 6 form (M=K, Rb, Cs) with melting temperatures of 635, 650 and 680 deg C, respectively, and the NaThBr 5 decomposing in the solid phase reaction at 356 deg C, realized in the systems. The presence of eutectic points is established, their composition and melting temperatures are determined. Roentgenograms of all compounds prepared by the polycrystal method are obtained. K 2 ThBr 6 and Rb 2 ThBr 6 crystallize in the hexagonal crystal system (Rb 2 MnF 6 structure type) with 2 formula units in the lattice cell. The parameters of the K 2 ThBr 6 cell are a=0.752 nm, c=1.180 nm. The cell parameters of the Rb 2 ThBr 6 cell are a=0.758 nm, c=1.224 nm. The Cs 2 ThBr 6 has a pseudocubic tetragonal structure with 4 formula units in a cell. Parameters of the Cs 2 ThBr 6 cell are a=1.137 nm; c=1.069 nm [ru

  19. One-dimensional electromagnetic band gap plasma structure formed by atmospheric pressure plasma inhomogeneities

    Science.gov (United States)

    Babitski, V. S.; Callegari, Th.; Simonchik, L. V.; Sokoloff, J.; Usachonak, M. S.

    2017-08-01

    The ability to use plasma columns of pulse discharges in argon at atmospheric pressure to form a one-dimensional electromagnetic band gap structure (or electromagnetic crystal) in the X-band waveguide is demonstrated. We show that a plasma electromagnetic crystal attenuates a microwave propagation in the stopband more than by 4 orders of magnitude. In order to obtain an effective control of the transmission spectrum comparable with a metallic regular structure, the electron concentration in plasma inhomogeneities should vary within the range from 1014 cm-3 to 1016 cm-3, while gas temperature and mean electron energy must be in the range of 2000 K and 0.5 eV, respectively, to lower electron collision frequency around 1010 s-1. We analyze in detail the time evolution response of the electromagnetic crystal according to the plasma parameters for the duration of the discharge. The interest of using atmospheric pressure discharges is to increase the microwave breakdown threshold in discharge volumes, whereby it becomes possible to perform dynamic control of high power microwaves.

  20. Pathologizing poverty: new forms of diagnosis, disability, and structural stigma under welfare reform.

    Science.gov (United States)

    Hansen, Helena; Bourgois, Philippe; Drucker, Ernest

    2014-02-01

    In 1996 the U.S. severely restricted public support for low income people, ending "welfare as we know it." This led to dramatic increases in medicalized forms of support for indigent people, who increasingly rely on disability benefits justified by psychiatric diagnoses of chronic mental illness. We present case studies drawn from ethnographic data involving daily participant-observation between 2005 and 2012 in public clinics and impoverished neighborhoods in New York City, to describe the subjective experience of structural stigma imposed by the increasing medicalization of public support for the poor through a diagnosis of permanent mental disability. In some cases, disability benefits enable recipients to fulfill important social roles (sustaining a vulnerable household and promoting stable parenting). The status of family members who receive a monthly disability check improves within their kin and neighborhood-based networks, counterbalancing the felt stigma of being identified by doctors as "crazy". When a diagnosis of mental pathology becomes a valuable survival strategy constituting the basis for fulfillment of household responsibilities, stigmatizing processes are structurally altered. Through the decades, the stigmatized labels applied to the poor have shifted: from being a symptom of racial weakness, to the culture of poverty, and now to permanent medical pathology. The neoliberal bureaucratic requirement that the poor must repeatedly prove their "disabled" status through therapy and psychotropic medication appears to be generating a national and policy-maker discourse condemning SSI malingerers, resurrecting the 16th century specter of the "unworthy poor". Copyright © 2013 Elsevier Ltd. All rights reserved.

  1. Assembly of alginate microfibers to form a helical structure using micromanipulation with a magnetic field

    International Nuclear Information System (INIS)

    Sun, Tao; Huang, Qiang; Shi, Qing; Wang, Huaping; Li, Pengyun; Fukuda, Toshio; Hu, Chengzhi; Nakajima, Masahiro

    2016-01-01

    Helical structures assembled using alginate microfibers have a promising spatial architecture mimicking in vivo vessels for culturing vascular cells. However, the helical structure can only be assembled at the macroscale, since a microassembly-based approach has not yet been developed. In this paper, we propose a magnetic-field-based micromanipulation method to fabricate a helical microstructure. By microfluidic spinning, alginate microfibers encapsulating magnetic nanoparticles are synthesized to enable the control of an electromagnetic needle (EMN). We developed a microrobotic system to actuate a micropipette to fix a free end of the microfiber, and then move the EMN to reel the microfiber around a micropillar. The motion of the EMN is guided using an upright microscope and a side-view camera. Because of the limitation of operation space, a spacer sleeve was designed to keep the tip of the EMN attracted to the microfiber, and simultaneously to keep the other part of the EMN isolated from the microfiber. To ensure the availability of the microfiber for continuously coiling, we enable the EMN tip to slide on the surface of the microfiber without changing the tensioning of the microfiber for positioning control. Furthermore, stable and repeatable micromanipulation was achieved to form multi-turn microfiber coils based on the motion planning of the EMN. Finally, we successfully fabricated a helical microstructure that can be applied in vascular tissue engineering in the future. (paper)

  2. DNA Recombinase Proteins, their Function and Structure in the Active Form, a Computational Study

    Science.gov (United States)

    Carra, Claudio; Cucinotta, Francis A.

    2007-01-01

    Homologous recombination is a crucial sequence of reactions in all cells for the repair of double strand DNA (dsDNA) breaks. While it was traditionally considered as a means for generating genetic diversity, it is now known to be essential for restart of collapsed replication forks that have met a lesion on the DNA template (Cox et al., 2000). The central stage of this process requires the presence of the DNA recombinase protein, RecA in bacteria, RadA in archaea, or Rad51 in eukaryotes, which leads to an ATP-mediated DNA strand-exchange process. Despite many years of intense study, some aspects of the biochemical mechanism, and structure of the active form of recombinase proteins are not well understood. Our theoretical study is an attempt to shed light on the main structural and mechanistic issues encountered on the RecA of the e-coli, the RecA of the extremely radio resistant Deinococcus Radiodurans (promoting an inverse DNA strand-exchange repair), and the homolog human Rad51. The conformational changes are analyzed for the naked enzymes, and when they are linked to ATP and ADP. The average structures are determined over 2ns time scale of Langevian dynamics using a collision frequency of 1.0 ps(sup -1). The systems are inserted in an octahedron periodic box with a 10 Angstrom buffer of water molecules explicitly described by the TIP3P model. The corresponding binding free energies are calculated in an implicit solvent using the Poisson-Boltzmann solvent accessible surface area, MM-PBSA model. The role of the ATP is not only in stabilizing the interaction RecA-DNA, but its hydrolysis is required to allow the DNA strand-exchange to proceed. Furthermore, we extended our study, using the hybrid QM/MM method, on the mechanism of this chemical process. All the calculations were performed using the commercial code Amber 9.

  3. Euglena gracilis ascorbate peroxidase forms an intramolecular dimeric structure: its unique molecular characterization.

    Science.gov (United States)

    Ishikawa, Takahiro; Tajima, Naoko; Nishikawa, Hitoshi; Gao, Yongshun; Rapolu, Madhusudhan; Shibata, Hitoshi; Sawa, Yoshihiro; Shigeoka, Shigeru

    2010-02-09

    Euglena gracilis lacks a catalase and contains a single APX (ascorbate peroxidase) and enzymes related to the redox cycle of ascorbate in the cytosol. In the present study, a full-length cDNA clone encoding the Euglena APX was isolated and found to contain an open reading frame encoding a protein of 649 amino acids with a calculated molecular mass of 70.5 kDa. Interestingly, the enzyme consisted of two entirely homologous catalytic domains, designated APX-N and APX-C, and an 102 amino acid extension in the N-terminal region, which had a typical class II signal proposed for plastid targeting in Euglena. A computer-assisted analysis indicated a novel protein structure with an intramolecular dimeric structure. The analysis of cell fractionation showed that the APX protein is distributed in the cytosol, but not the plastids, suggesting that Euglena APX becomes mature in the cytosol after processing of the precursor. The kinetics of the recombinant mature FL (full-length)-APX and the APX-N and APX-C domains with ascorbate and H2O2 were almost the same as that of the native enzyme. However, the substrate specificity of the mature FL-APX and the native enzyme was different from that of APX-N and APX-C. The mature FL-APX, but not the truncated forms, could reduce alkyl hydroperoxides, suggesting that the dimeric structure is correlated with substrate recognition. In Euglena cells transfected with double-stranded RNA, the silencing of APX expression resulted in a significant increase in the cellular level of H2O2, indicating the physiological importance of APX to the metabolism of H2O2.

  4. Structures of butyl ions formed by electron impact ionization of isomeric butyl halides and alkanes

    International Nuclear Information System (INIS)

    Shold, D.M.; Ausloos, P.

    1978-01-01

    Using a pulsed ion cyclotron resonance (ICR) spectrometer, it is demonstrated that at pressures of about 10 -6 Torr and at observation times ranging from 10 -3 to 0.5 s, isobutane, neopentane, 2,2-dimethylbutane, isobutyl halides, and tert-butyl halides form C 4 H 9 + ions having the tertiary structure. In n-alkanes, 2-methylbutane, 3-methylpentane, n-butyl halides, and sec-butyl halides, both sec-C 4 H 9 + and t-C 4 H 9 + ions are observed, the sec-C 4 H 9 + ions surviving without rearrangement for at least 0.1 s. However, in the case of the halides, a collision-induced isomerization of the sec-C 4 H 9 + to the t-C 4 H 9 + ions occurs. The efficiency of this process increases with the basicity of the alkyl halide. Radiolysis experiments carried out at atmospheric pressures indicate, in agreement with ICR and solution experiments, that at times as short as 10 -10 s the majority of the i-C 4 H 9 + ions from isobutyl bromide rearrange to the t-C 4 H 9 + structure. On the other hand, in the radiolysis of both n-hexane and 3-methylpentane, the abundance of t-C 4 H 9 + relative to sec-C 4 H 9 + is substantially smaller than that observed in the ICR experiments, and decreases with decreasing collision interval. It is suggested that about 90% of the i-C 4 H 9 + can rearrange to t-C 4 H 9 + by simple 1,2-hydride shift without involving secondary or protonated methylcyclopropane structures as intermediates. 4 figures, 2 tables

  5. [Demonstration of β-1,2 mannan structures expressed on the cell wall of Candida albicans yeast form but not on the hyphal form by using monoclonal antibodies].

    Science.gov (United States)

    Aydın, Cevahir; Ataoğlu, Haluk

    2015-01-01

    Candida albicans is a polymorphic fungus that may be observed as both commensal and opportunistic pathogen in humans. As one of the major components of Candida cell wall structure, mannan plays an important role in the fungus-host cell interaction and in virulence. The ability to switch from yeast to hypha form of microorganism is crutial in the development of C.albicans infections. Hyphal form has different antigenic properties compared to yeast form and structural changes occur in the yeast cell wall during transition from yeast to hypha form. Although there are several factors associated with this transition process, sufficient information is not available. The aim of this study was to investigate the change of configuration in mannan structure found in C.albicans cell wall by using monoclonal antibodies. C.albicans (NIHA 207) serotype A strains were used as test strains throughout the study, together with Salmonella choleraesuis 211 and Salmonella infantis as controls with similar cell wall structures to that of C.albicans. Cultures were maintained on YPD-agar medium by incubating at 28°C for yeast forms, and on YPD-broth medium in a shaking incubator at 37°C for 3-4 hours for the growth of hyphal forms. Cells were harvested in the exponential phase, and after being washed, the mannan content from C.albicans were extracted from pellet by heating in 20 mM sodium citrate buffer for 90 minutes at 125°C. Hybridoma technique was used for the production of monoclonal antibodies. After immunizing the Balb/C mice with antigen, the splenocytes were harvested and fusion was performed between spleen cells and F0 myeloma cells. The clones grown in HAT medium were screened for the presence of antibody producing hybrid cells by ELISA method. The antibody isotypes were determined by using a commercial kit (Pierce Biotechnology, ABD). The culture supernatants which contained monoclonal antibodies were collected and purified according to the ammonium sulphate method

  6. Experimental study of structure-forming deformations in obliquely spreading ultra-slow ridges

    Science.gov (United States)

    Dubinin, Evgeniy; Kokhan, Andrey; Grokholsky, Andrey

    2013-04-01

    This paper is dedicated to obliquely spreading ultra-slow ridges of North Atlantic and Arctic. The study covers four ridges: Reikjanes, Kolbeynsey, Mohns and Knipovich They are rather young (spreading initiated 58-60 Myr ago) and angles between their trends and spreading direction are from 33 to 85°. All the ridges have peculiarities in structure patterns, kinematics, and morphology and develop in specific geodynamical environments. Kolbeynsey and Reikjanes ridges are developing under influence of Iceland hotspot. Knipovich ridge is developing in ancient slip zone along the heavily sedimented Spitzbergen margin. Spreading at Mohns ridge occurs in conditions of thick lithosphere and extremely narrow heating zone. In order to study geodynamical features of structure-forming on these ridges we apply experimental modeling The model material used in modeling is a colloidal system composed of mineral oils, solid hydrocarbon and surface-active substances. It has elastic-viscous-plastic properties, under temperature and strain rate, it is capable of failure like a brittle body. Reikjanes (ridge obliquity 60-65°) and Kolbeynsey (80-85°) ridges show changes of morphology with increasing distance from Iceland mantle plume. In proximity with Iceland they are characterized by axial rise with long s-shaped axial volcanic ridges (AVRs) offset by small discontinuities. Far from Iceland the AVRs are short and offset by large non-transform offsets which are situated in axial valley. In conditions of all these features are explained by influence of mantle flow from the Iceland mantle plum initiating the increasing of mantle temperature. It results in decreasing of lithospheric brittle layer with approaching to Iceland. In experimental sets reproducing conditions of proximate to Iceland part of the ridge were reproduced in sets with the widest weak zone and the smallest crustal thickness and vice versa. In sets reproducing conditions of proximate to Iceland received long and non

  7. An Integrated Modelling and Toolpathing Approach for a Frameless Stressed Skin Structure, Fabricated Using Robotic Incremental Sheet Forming

    DEFF Research Database (Denmark)

    Nicholas, Paul; Stasiuk, David; Nørgaard, Esben Clausen

    2016-01-01

    For structural assemblies that depend upon robotic incremental sheet forming (ISF) the rigidity, connectivity, customization and aesthetics play an important role for an integrated and accurate modeling process. Furthermore, it is critical to consider fabrication and forming parameters jointly...... with calculated and observed micro behaviour; the organisation and extraction of toolpaths; and rig setup logics for fabrication. Finally, the validity of these models is evaluated for structural performance, and for geometric accuracy at multiple scales....

  8. Process and structures for fabrication of solar cells with laser ablation steps to form contact holes

    Science.gov (United States)

    Harley, Gabriel; Smith, David D; Dennis, Tim; Waldhauer, Ann; Kim, Taeseok; Cousins, Peter John

    2013-11-19

    Contact holes of solar cells are formed by laser ablation to accomodate various solar cell designs. Use of a laser to form the contact holes is facilitated by replacing films formed on the diffusion regions with a film that has substantially uniform thickness. Contact holes may be formed to deep diffusion regions to increase the laser ablation process margins. The laser configuration may be tailored to form contact holes through dielectric films of varying thickness.

  9. Trigonometric parallaxes of high mass star forming regions: the structure and kinematics of the Milky Way

    Energy Technology Data Exchange (ETDEWEB)

    Reid, M. J.; Dame, T. M. [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Menten, K. M.; Brunthaler, A.; Wu, Y.; Zhang, B.; Sanna, A.; Sato, M.; Choi, Y. K.; Immer, K. [Max-Planck-Institut für Radioastronomie, Auf dem Hügel 69, D-53121 Bonn (Germany); Zheng, X. W. [Department of Astronomy, Nanjing University Nanjing 210093 (China); Xu, Y. [Purple Mountain Observatory, Chinese Academy of Sciences, Nanjing 210008 (China); Hachisuka, K. [Shanghai Astronomical Observatory, 80 Nandan Rd., Shanghai (China); Moscadelli, L. [Arcetri Observatory, Firenze (Italy); Rygl, K. L. J. [European Space Agency (ESA-ESTEC), Keplerlaan 1, P.O. Box 299, 2200 AG, Noordwijk (Netherlands); Bartkiewicz, A. [Centre for Astronomy, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus University, Grudziadzka 5, 87-100 Torun (Poland)

    2014-03-10

    Over 100 trigonometric parallaxes and proper motions for masers associated with young, high-mass stars have been measured with the Bar and Spiral Structure Legacy Survey, a Very Long Baseline Array key science project, the European VLBI Network, and the Japanese VLBI Exploration of Radio Astrometry project. These measurements provide strong evidence for the existence of spiral arms in the Milky Way, accurately locating many arm segments and yielding spiral pitch angles ranging from about 7° to 20°. The widths of spiral arms increase with distance from the Galactic center. Fitting axially symmetric models of the Milky Way with the three-dimensional position and velocity information and conservative priors for the solar and average source peculiar motions, we estimate the distance to the Galactic center, R {sub 0}, to be 8.34 ± 0.16 kpc, a circular rotation speed at the Sun, Θ{sub 0}, to be 240 ± 8 km s{sup –1}, and a rotation curve that is nearly flat (i.e., a slope of –0.2 ± 0.4 km s{sup –1} kpc{sup –1}) between Galactocentric radii of ≈5 and 16 kpc. Assuming a 'universal' spiral galaxy form for the rotation curve, we estimate the thin disk scale length to be 2.44 ± 0.16 kpc. With this large data set, the parameters R {sub 0} and Θ{sub 0} are no longer highly correlated and are relatively insensitive to different forms of the rotation curve. If one adopts a theoretically motivated prior that high-mass star forming regions are in nearly circular Galactic orbits, we estimate a global solar motion component in the direction of Galactic rotation, V {sub ☉} = 14.6 ± 5.0 km s{sup –1}. While Θ{sub 0} and V {sub ☉} are significantly correlated, the sum of these parameters is well constrained, Θ{sub 0} + V {sub ☉} = 255.2 ± 5.1 km s{sup –1}, as is the angular speed of the Sun in its orbit about the Galactic center, (Θ{sub 0} + V {sub ☉})/R {sub 0} = 30.57 ± 0.43 km s{sup –1} kpc{sup –1}. These parameters improve the accuracy

  10. Cavitation structures formed during the collision of a sphere with an ultra-viscous wetted surface

    KAUST Repository

    Mansoor, Mohammad M.

    2016-05-05

    We investigate the inception of cavitation and resulting structures when a sphere collides with a solid surface covered with a layer of non-Newtonian liquid having a kinematic viscosity of up to (Formula presented.) cSt. We show the existence of shear-stress-induced cavitation during sphere approach towards the base wall (i.e. the pressurization stage) in ultra-viscous films using a synchronized dual-view high-speed imaging system. For the experimental parameters employed, liquids having viscoelastic properties of (Formula presented.) are shown to enable sphere rebound without any prior contact with the solid wall. Cavitation by depressurization (i.e. during rebound) in such non-contact cases is observed to onset after a noticeable delay from when the minimum gap distance is reached. Also, the cavities created originate from remnant bubbles, being the remains of the primary bubble entrapment formed by the lubrication pressure of the air during film entry. Cases where physical contact occurs (contact cases) in 10 000 cSt (Formula presented.) cSt films produce cavities attached to the base wall, which extend into an hourglass shape. In contrast, strikingly different structures occur in the most viscous liquids due to the disproportionality in radial expansion and longitudinal extension along the cavity length. Horizontal shear rates calculated using particle image velocimetry (PIV) measurements show the apparent fluid viscosity to vary substantially as the sphere approaches and rebounds away from the base wall. A theoretical model based on the lubrication assumption is solved for the squeeze flow in the regime identified for shear-induced cavity events, to investigate the criterion for cavity inception in further detail. © 2016 Cambridge University Press

  11. The Structure and Form of Folksonomy Tags: The Road to the Public Library Catalog

    Directory of Open Access Journals (Sweden)

    Louise F. Spiteri

    2007-09-01

    Full Text Available This article examines the linguistic structure of folksonomy tags collected over a thirty-day period from the daily tag logs of Del.icio.us, Furl, and Technorati. The tags were evaluated against the National Information Standards Organization (NISO guidelines for the construction of controlled vocabularies. The results indicate that the tags correspond closely to the NISO guidelines pertaining to types of concepts expressed, the predominance of single terms and nouns, and the use of recognized spelling. Problem areas pertain to the inconsistent use of count nouns and the incidence of ambiguous tags in the form of homographs, abbreviations, and acronyms. With the addition of guidelines to the construction of unambiguous tags and links to useful external reference sources, folksonomies could serve as a powerful, flexible tool for increasing the user-friendliness and interactivity of public library catalogs, and also may be useful for encouraging other activities, such as informal online communities of readers and user-driven readers’ advisory services.

  12. Design and strength evaluation of structural joint made by electro-magnetic forming (EMF)

    International Nuclear Information System (INIS)

    Park, Young-Bae; Oh, Soo-Ik; Kim, Heon-Young

    2004-01-01

    Recently, weight reduction of vehicles has been of great interest, and consequently, the use of low-density materials in the automotive industry is increasing every year. Materials should not be substituted such a way that material of component parts is simply changed because there is a problem in achieving stiffness and strength. To achieve these requirements, the automobile should be redesigned totally. Aluminum spaceframe is rapidly being adopted as a body structure for accommodating lightness, stiffness and strength requirement. In aluminum spaceframe manufacturing, it is often required to join aluminum tube. But there are few suitable methods for joining aluminum tube, so that much interest has been focused on testing suitable joining methods. Joining by electromagnetic forming(EMF) can be useful method in joining aluminum tube, which offers some advantages compared with the conventional joining method. In this paper, joining by EMF was investigated as a pre-study for applying an automotive spaceframe. Finite element simulations and strength tests were performed to analyze the influence of geometric parameters on joint strength. Based on these results, configurations of axial joint and torque joint were suggested and guidelines for designing EMF joint were established

  13. Unconventional miR-122 binding stabilizes the HCV genome by forming a trimolecular RNA structure.

    Science.gov (United States)

    Mortimer, Stefanie A; Doudna, Jennifer A

    2013-04-01

    MicroRNAs (miRNAs) typically downregulate protein expression from target mRNAs through limited base-pairing interactions between the 5' 'seed' region of the miRNA and the mRNA 3' untranslated region (3'UTR). In contrast to this established mode of action, the liver-specific human miR-122 binds at two sites within the hepatitis C viral (HCV) 5'UTR, leading to increased production of infectious virions. We show here that two copies of miR-122 interact with the HCV 5'UTR at partially overlapping positions near the 5' end of the viral transcript to form a stable ternary complex. Both miR-122 binding sites involve extensive base pairing outside of the seed sequence; yet, they have substantially different interaction affinities. Structural probing reveals changes in the architecture of the HCV 5'UTR that occur on interaction with miR-122. In contrast to previous reports, however, results using both the recombinant cytoplasmic exonuclease Xrn1 and liver cell extracts show that miR-122-mediated protection of the HCV RNA from degradation does not correlate with stimulation of viral propagation in vivo. Thus, the miR-122:HCV ternary complex likely functions at other steps critical to the viral life cycle.

  14. Structural and functional characteristics of myocard in patients with different forms of atrial fibrillation

    Directory of Open Access Journals (Sweden)

    L. I. Vasilyeva

    2015-02-01

    Full Text Available Aim. To study structural and functional characteristics of myocard in patients with different forms of atrial fibrillation. Atrial fibrillation is the most prevalent arrhythmia in clinical practice. Atrial fibrillation is a progressive disease: the duration of paroxysms increases over time and paroxysmal atrial fibrillation transforms to persistent, the last one becomes refractory to pharmacological and electrical cardioversion in time and transforms to permanent. So assessment of myocardial remodeling in patients with persistent and permanent atrial fibrillation is very actual. Methods and results. According to the aim of the study 133 patients with persistent atrial fibrillation and 100 patients with permanent atrial fibrillation were included into the study. Echocardiographic parameters of left and right atria function were studied. Conclusion. It was found that patients with persistent and permanent atrial fibrillation are characterized with both left and right atrias remodeling. Remodeling of the atrias is less pronounced in patients with permanent atrial fibrillation in comparison with persistent atrial fibrillation patients and arrhythmia recurrence.

  15. Laser micromachining of screen-printed graphene for forming electrode structures

    Energy Technology Data Exchange (ETDEWEB)

    Chang, Tien-Li, E-mail: tlchang@ntnu.edu.tw [Department of Mechatronic Engineering, National Taiwan Normal University, Taipei, Taiwan, ROC (China); Chen, Zhao-Chi [Department of Mechatronic Engineering, National Taiwan Normal University, Taipei, Taiwan, ROC (China); Tseng, Shih-Feng [Instrument Technology Research Center, National Applied Research Laboratories, Hsinchu, Taiwan, ROC (China)

    2016-06-30

    Highlights: • Homogeneous graphene films were prepared by the screen-printing process. • Optimal single-line ablation was performed by ultraviolet nanosecond laser pulses. • Influence of ablation parameters on graphene/glass substrate was clarified. • Electrical measurements of ablated graphene-based device can be investigated. - Abstract: There has been increasing research interest in electronic applications of graphene-based devices fabricated using electrode patterning techniques. This study presents a laser ablation technique along with a screen printing process for fabricating graphene patterns on a glass substrate. First, homogeneous multilayer films on the glass substrate are coated with graphene ink by using the screen printing process. Subsequently, optimal ablation was performed using an ultraviolet nanosecond laser, and the effective number of pulses decreased with an increase in the scanning speed and a decrease in the overlapping rate. Here, the pulsed overlap of a laser spot was determined to be approximately 90% for 75 pulses at a scanning speed of 250 mm/s. Experimental results showed continuous single-line ablation along the laser scanning path in the graphene films. Furthermore, linear current–voltage (I–V) curves showed the multilayer graphene characteristics of ablated devices for forming electrode structures.

  16. Laser micromachining of screen-printed graphene for forming electrode structures

    International Nuclear Information System (INIS)

    Chang, Tien-Li; Chen, Zhao-Chi; Tseng, Shih-Feng

    2016-01-01

    Highlights: • Homogeneous graphene films were prepared by the screen-printing process. • Optimal single-line ablation was performed by ultraviolet nanosecond laser pulses. • Influence of ablation parameters on graphene/glass substrate was clarified. • Electrical measurements of ablated graphene-based device can be investigated. - Abstract: There has been increasing research interest in electronic applications of graphene-based devices fabricated using electrode patterning techniques. This study presents a laser ablation technique along with a screen printing process for fabricating graphene patterns on a glass substrate. First, homogeneous multilayer films on the glass substrate are coated with graphene ink by using the screen printing process. Subsequently, optimal ablation was performed using an ultraviolet nanosecond laser, and the effective number of pulses decreased with an increase in the scanning speed and a decrease in the overlapping rate. Here, the pulsed overlap of a laser spot was determined to be approximately 90% for 75 pulses at a scanning speed of 250 mm/s. Experimental results showed continuous single-line ablation along the laser scanning path in the graphene films. Furthermore, linear current–voltage (I–V) curves showed the multilayer graphene characteristics of ablated devices for forming electrode structures.

  17. Structure and chemistry of the high mass star forming region S255 on small scales

    Science.gov (United States)

    Zinchenko, I.; Kurtz, S.; Liu, S. Y.; Ojha, D.; Su, Y. N.

    2011-05-01

    S255, a molecular condensation at a distance of about 2 kpc consists of two main components (S255 IR and S255 N) separated by slightly over 1'. Observations by single-dish telescopes inferred dense gas residing in both components suitable for forming massive stars and clusters. We performed observations of these two components with SMA, VLA and GMRT at an angular resolution of a few arc seconds. SMA observations covered broad frequency ranges around 220, 230, 279 and 288 GHz. The continuum emission and about 50 spectral lines from about 20 different species were detected (including N2H+, SiO, DCN, DNC, DCO+, H2CO, HNCO, etc.). VLA observations provide data on NH3 (1,1) and (2,2) while at GMRT we mapped the 610 and 1280 MHz continuum emission. We combine these data to obtain a rather complete picture of this area. Distributions of various molecules are quite different (some maps for S255IR are shown in Fig. 1). Several new clumps are revealed; some of them have no visible counterpart in continuum. In both components high velocity outflows and disk-like structures are present. We estimate physical parameters of the observed objects and discuss their chemistry with an emphasis on N2H+, NH3 and deuterated species.

  18. Structure of the Unbound Form of HIV-1 Subtype A Protease: Comparison with Unbound Forms of Proteases from other HIV Subtypes

    Energy Technology Data Exchange (ETDEWEB)

    Robbins, Arthur H.; Coman, Roxana M.; Bracho-Sanchez, Edith; Fernandez, Marty A.; Gilliland, C.Taylor; Li, Mi; Agbandje-McKenna, Mavis; Wlodawer, Alexander; Dunn, Ben M.; McKenna, Robert (NCI); (Florida)

    2010-03-12

    The crystal structure of the unbound form of HIV-1 subtype A protease (PR) has been determined to 1.7 {angstrom} resolution and refined as a homodimer in the hexagonal space group P6{sub 1} to an R{sub cryst} of 20.5%. The structure is similar in overall shape and fold to the previously determined subtype B, C and F PRs. The major differences lie in the conformation of the flap region. The flaps in the crystal structures of the unbound subtype B and C PRs, which were crystallized in tetragonal space groups, are either semi-open or wide open. In the present structure of subtype A PR the flaps are found in the closed position, a conformation that would be more anticipated in the structure of HIV protease complexed with an inhibitor. The amino-acid differences between the subtypes and their respective crystal space groups are discussed in terms of the differences in the flap conformations.

  19. Research of forming of the system of transport pores in the structure of carbon composites by their gasification

    Directory of Open Access Journals (Sweden)

    Віктор Олексійович Скачков

    2016-12-01

    Full Text Available The structure of pores for carbonized carbon plastics is considered. Description of porous structure by the parabolic law of distribution on four local maximums is offered. Mechanism of forming for the system of transport pores are researched in the structure of carbonized carbon plastics taking into account oxidization of its lateral face and real distribution of porous structure on the size of radiuses at gasification in the medium of carbon dioxide. The task of carbon dioxide transfer on length of carbonizing carbon plastic pores, providing the given profiling of its structure in the process of gasification, is considered

  20. Structure determination of enalapril maleate form II from high-resolution X-ray powder diffraction data.

    Science.gov (United States)

    Kiang, Y-H; Huq, Ashfia; Stephens, Peter W; Xu, Wei

    2003-09-01

    The crystal structure of polymorphic Form II of enalapril maleate, a potent angiotensin-converting enzyme inhibitor, was determined from high-resolution X-ray diffraction data using the direct space method. Enalapril maleate Form II crystallizes in space group P2(1)2(1)2(1), Z = 4, with unit cell parameters a = 33.9898(3) A, b = 11.2109(1) A, c = 6.64195(7) A, and V = 2530.96(5) A(3). By treating the molecules as rigid bodies and using the bond lengths and angles obtained from the X-ray single crystal structures of Form I, which were solved almost 20 years ago, the total degrees of freedom of enalapril maleate were reduced from 25 to 12. This reduction in total degrees of freedom allowed the simulated annealing to complete within a reasonable computation time. In the crystal structure of Form II, the crystal packing, hydrogen-bonding pattern, and conformation of enalapril maleate resemble those in the structure of Form I. The crystal packing and conformation of enalapril maleate in the two polymorphic forms may explain the similarity of the thermal properties, (13)C nuclear magnetic resonance, Fourier transform infrared, and Raman spectra of Forms I and II. In both structures, the conformations of the main peptide chains, which are considered responsible for binding the active angiotensin-converting enzyme sites, remain largely unchanged. Lattice energy calculation showed that Form II is slightly more stable than Form I by 3.5 kcal/mole. Copyright 2003 Wiley-Liss, Inc. and the American Pharmacists Association

  1. Phenotypic and Causal Structure of Conduct Disorder in the Broader Context of Prevalent Forms of Psychopathology

    Science.gov (United States)

    Lahey, Benjamin B.; Waldman, Irwin D.

    2011-01-01

    Background A better understanding of the nature and etiology of conduct disorder (CD) can inform nosology and vice-versa. We posit that any prevalent form of psychopathology, including CD, can be best understood if it is studied in the context of other correlated forms of child and adolescent psychopathology using formal models to guide inquiry. Methods Review of both cross-sectional and longitudinal studies of the place of CD in the phenotypic and causal structure of prevalent psychopathology, with an emphasis on similarities and differences between CD and oppositional defiant disorder (ODD). Papers were located using Web of Science by topic searches with no restriction on year of publication. Results Although some important nosologic questions remain unanswered, the dimensional phenotype of CD is well defined. CD differs from other disorders in its correlates, associated impairment, and course. Nonetheless, it is robustly correlated with many other prevalent dimensions of psychopathology both concurrently and predictively, including both other “externalizing” disorders and some “internalizing” disorders. Based on emerging evidence, we hypothesize that these concurrent and predictive correlations result primarily from widespread genetic pleiotropy, with some genetic factors nonspecifically influencing risk for multiple correlated dimensions of psychopathology. In contrast, environmental influences mostly act to differentiate dimensions of psychopathology from one another both concurrently and over time. CD and ODD share half of their genetic influences, but their genetic etiologies are distinct in other ways. Unlike most other dimensions of psychopathology, half of the genetic influences on CD appear to be unique to CD. In contrast, ODD broadly shares nearly all of its genetic influences with other disorders and has little unique genetic variance. Conclusions CD is a relatively distinct syndrome at both phenotypic and etiologic levels, but much is revealed

  2. Structure of the Catalytic Trimer of Methanococcus jannaschii Aspartate Transcarbamoylase in an Orthorhombic Crystal Form

    Energy Technology Data Exchange (ETDEWEB)

    Vitali,J.; Colaneri, M.

    2008-01-01

    Crystals of the catalytic subunit of Methanococcus jannaschii aspartate transcarbamoylase in an orthorhombic crystal form contain four crystallographically independent trimers which associate in pairs to form stable staggered complexes that are similar to each other and to a previously determined monoclinic C2 form. Each subunit has a sulfate in the central channel. The catalytic subunits in these complexes show flexibility, with the elbow angles of the monomers differing by up to 7.4 between crystal forms. Moreover, there is also flexibility in the relative orientation of the trimers around their threefold axis in the complexes, with a difference of 4 between crystal forms.

  3. Structure of the catalytic trimer of Methanococcus jannaschii aspartate transcarbamoylase in an orthorhombic crystal form.

    Science.gov (United States)

    Vitali, Jacqueline; Colaneri, Michael J

    2008-09-01

    Crystals of the catalytic subunit of Methanococcus jannaschii aspartate transcarbamoylase in an orthorhombic crystal form contain four crystallographically independent trimers which associate in pairs to form stable staggered complexes that are similar to each other and to a previously determined monoclinic C2 form. Each subunit has a sulfate in the central channel. The catalytic subunits in these complexes show flexibility, with the elbow angles of the monomers differing by up to 7.4 degrees between crystal forms. Moreover, there is also flexibility in the relative orientation of the trimers around their threefold axis in the complexes, with a difference of 4 degrees between crystal forms.

  4. Structures, Compositions, and Activities of Live Shewanella Biofilms Formed on Graphite Electrodes in Electrochemical Flow Cells.

    Science.gov (United States)

    Kitayama, Miho; Koga, Ryota; Kasai, Takuya; Kouzuma, Atsushi; Watanabe, Kazuya

    2017-09-01

    An electrochemical flow cell equipped with a graphite working electrode (WE) at the bottom was inoculated with Shewanella oneidensis MR-1 expressing an anaerobic fluorescent protein, and biofilm formation on the WE was observed over time during current generation at WE potentials of +0.4 and 0 V (versus standard hydrogen electrodes), under electrolyte-flow conditions. Electrochemical analyses suggested the presence of unique electron-transfer mechanisms in the +0.4-V biofilm. Microscopic analyses revealed that, in contrast to aerobic biofilms, current-generating biofilm (at +0.4 V) was thin and flat (∼10 μm in thickness), and cells were evenly and densely distributed in the biofilm. In contrast, cells were unevenly distributed in biofilm formed at 0 V. In situ fluorescence staining and biofilm recovery experiments showed that the amounts of extracellular polysaccharides (EPSs) in the +0.4-V biofilm were much smaller than those in the aerobic and 0-V biofilms, suggesting that Shewanella cells suppress the production of EPSs at +0.4 V under flow conditions. We suggest that Shewanella cells perceive electrode potentials and modulate the structure and composition of biofilms to efficiently transfer electrons to electrodes. IMPORTANCE A promising application of microbial fuel cells (MFCs) is to save energy in wastewater treatment. Since current is generated in these MFCs by biofilm microbes under horizontal flows of wastewater, it is important to understand the mechanisms for biofilm formation and current generation under water-flow conditions. Although massive work has been done to analyze the molecular mechanisms for current generation by model exoelectrogenic bacteria, such as Shewanella oneidensis , limited information is available regarding the formation of current-generating biofilms over time under water-flow conditions. The present study developed electrochemical flow cells and used them to examine the electrochemical and structural features of current

  5. Biochemical and structural characterization of neocartilage formed by mesenchymal stem cells in alginate hydrogels.

    Directory of Open Access Journals (Sweden)

    Magnus Ø Olderøy

    Full Text Available A popular approach to make neocartilage in vitro is to immobilize cells with chondrogenic potential in hydrogels. However, functional cartilage cannot be obtained by control of cells only, as function of cartilage is largely dictated by architecture of extracellular matrix (ECM. Therefore, characterization of the cells, coupled with structural and biochemical characterization of ECM, is essential in understanding neocartilage assembly to create functional implants in vitro. We focused on mesenchymal stem cells (MSC immobilized in alginate hydrogels, and used immunohistochemistry (IHC and gene expression analysis combined with advanced microscopy techniques to describe properties of cells and distribution and organization of the forming ECM. In particular, we used second harmonic generation (SHG microscopy and focused ion beam/scanning electron microscopy (FIB/SEM to study distribution and assembly of collagen. Samples with low cell seeding density (1e7 MSC/ml showed type II collagen molecules distributed evenly through the hydrogel. However, SHG microscopy clearly indicated only pericellular localization of assembled fibrils. Their distribution was improved in hydrogels seeded with 5e7 MSC/ml. In those samples, FIB/SEM with nm resolution was used to visualize distribution of collagen fibrils in a three dimensional network extending from the pericellular region into the ECM. In addition, distribution of enzymes involved in procollagen processing were investigated in the alginate hydrogel by IHC. It was discovered that, at high cell seeding density, procollagen processing and fibril assembly was also occurring far away from the cell surface, indicating sufficient transport of procollagen and enzymes in the intercellular space. At lower cell seeding density, the concentration of enzymes involved in procollagen processing was presumably too low. FIB/SEM and SHG microscopy combined with IHC localization of specific proteins were shown to provide

  6. Nonlinear eigen-structures in star-forming gyratory nonthermal complex molecular clouds

    Science.gov (United States)

    Karmakar, Pralay Kumar; Dutta, Pranamika

    2018-01-01

    This paper deals with the nonlinear gravito-electrostatic fluctuations in star-forming rotating complex partially ionized dust molecular clouds, evolutionarily well-governed by a derived pair of the Korteweg-de Vries (KdV) equations of a unique analytical shape, in a bi-fluidic-model fabric. The lighter constituent species, such as electrons and ions, are considered thermo-statistically as the nonthermal ones in nature, governed by the anti-equilibrium kappa-distribution laws, due to inherent nonlocal gradient effects stemming from large-scale inhomogeneity. The heavier species, such as the constitutive identical neutral and charged dust micro-spheres, are treated as separate turbulent viscous fluids in the Larson logatropic tapestry. Application of a standard technique of multiple scale analysis over the nonlinearly perturbed cloud procedurally yields the pair KdV system. It comprises of the gravitational KdV and electrostatic KdV equations with exclusive constructs of diversified multi-parametric coefficients. A numerical constructive platform is provided to see the excitation and propagatory dynamics of gravitational rarefactive periodic soliton-trains and electrostatic rarefactive aperiodic damped soliton-trains of distinctive patterns as the pair-KdV-supported discrete coherent eigen-mode structures illustratively. The varied key stabilizing and tonality destabilizing factors behind the cloud dynamics are identified. An elaborated contrast of the eigen-mode conjugacy is reconnoitered. The main implications and applications of the semi-analytical results explored here are summarily outlined in the real astro-space-cosmic statuses.

  7. ASSESSMENT FORM - NEW IMPROVEMENT OF ACTIONS: CONCENTRATION AND RESEARCH AREAS / CURRICULUM STRUCTURE / FUNDRAISING.

    Science.gov (United States)

    Calderon, Iracema Mp

    2015-01-01

    This review aims to develop a critical and current analysis of the basic structure of a Postgraduate program for proposing improvement actions and new evaluation criteria. To examine the items that are areas of concentration (AC), research lines (LP), research projects (PP), curricular structure and fundraising were consulted the Area Document, the 2013 Evaluation Report and the Assessment Sheets of Medicine III programs, evaluated in the 2010-2012 period. Consistency is recommended especially among AC, LP and PP, with genuine link between activities and permanent teachers skills and based on structured curriculum in the education of the student. The Program Proposal interfere, and much, in qualifying a program. The curriculum should provide subsidy to the formation of the researcher, through the core subjects, and development of PP, being the concept of disciplines to support lines and research projects. Fundraise should be set out in research projects and in the CV-Lattes. The area recommended that at least 40-50% of permanent teachers present fundraising and the minimum 20-25% of these teachers to have productivity scholarship PQ / CNPq during the triennium. It is necessary to promote wide discussion and find a consensus denominator for these issues. The actions should contribute to the improvement of evaluation forms and certainly for the qualification of the programs but graduate. Essa revisão tem como objetivo elaborar uma análise crítica e atual da estrutura básica de um programa de Pós-Graduação para a proposição de ações de aperfeiçoamento e novos critérios de avaliação. Para analisarem-se os itens áreas de concentração (AC), linhas de pesquisa (LP), projetos de pesquisa (PP), estrutura curricular e captação de recursos/fomentos foram consultados o documento de área, o relatório de avaliação 2013 e as fichas de avaliação dos programas da Medicina III, avaliados no triênio 2010-2012. A coerência é recomendada especialmente entre

  8. Incremental electrohydraulic forming - A new approach for the manufacture of structured multifunctional sheet metal blanks

    Science.gov (United States)

    Djakow, Eugen; Springer, Robert; Homberg, Werner; Piper, Mark; Tran, Julian; Zibart, Alexander; Kenig, Eugeny

    2017-10-01

    Electrohydraulic Forming (EHF) processes permit the production of complex, sharp-edged geometries even when high-strength materials are used. Unfortunately, the forming zone is often limited as compared to other sheet metal forming processes. The use of a special industrial-robot-based tool setup and an incremental process strategy could provide a promising solution for this problem. This paper describes such an innovative approach using an electrohydraulic incremental forming machine, which can be employed to manufacture the large multifunctional and complex part geometries in steel, aluminium, magnesium and reinforced plastic that are employed in lightweight constructions or heating elements.

  9. Effects of Diverse Forms of Family Structure on Female and Male Homicide

    Science.gov (United States)

    Schwartz, Jennifer

    2006-01-01

    Utilizing 2000 data on 1,618 counties and seemingly unrelated regression, I assess whether family structure effects on homicide vary across family structure measures and gender. There is evidence of robust, multidimensional family structure effects across constructs reflecting the presence of two-parent families: mother/father absence, shortages…

  10. Superplastic Forming of Aluminum Multisheet Structures Fabricated Using Friction Stir Welding and Refill Friction Stir Spot Welding

    Energy Technology Data Exchange (ETDEWEB)

    Grant, Glenn J.; Herling, Darrell R.; Arbegast, William J.; Allen, Casey D.; Degen, Cassandra M.

    2006-12-20

    Superplastically-formed structural panels are growing in their applications in aerospace, aircraft, automotive, and other industries. Generally, monolithic sheets are employed, limiting the size and complexity of the final part. However, more complex and larger final geometries are possible if individual sheet materials can be joined together through an appropriate joining technology, then SPF formed to final shape. The primary challenge in this type of SPF fabrication has been making a joint between the sheets that will survive the SPF forming event and display the correct amount of elongation in the joint relative to the base materials being formed. Friction Stir Welding is an ideal joining technology for SPF applications because the forming response of the weld metal at SPF conditions is adjustable by selecting different weld process parameters during initial joining. This allows the SPF deformation in the weld metal to be “tuned” to the deformation of the parent sheet to prevent early failure from occurring in either the weld metal or the parent sheet due to mismatched SPF flow stresses. Industrial application of the concept of matching flow stresses is currently being pursued on a program at the Pacific Northwest National Laboratory on room temperature formed friction stir welded tailor welded blanks for heavy truck applications. Flow stress matching and process parameter “tuning” is also important in the fabrication of SPF multisheet structural panels. These panels are fabricated by joining three sheets together with alternating welds top and bottom, so that each weld penetrates only two of the three sheets. This sheet pack is then sealed with a weld seam around the outside and hot gas is introduced between the sheets through a welded tube. Under SPF conditions the sheet pack inflates to produce an internally supported structure. In this paper we presents results on an investigation into using FSW and Refill Friction Stir Spot Welding to fabricated

  11. Factor Structure of the BASC-2 Behavioral and Emotional Screening System Student Form

    Science.gov (United States)

    Dowdy, Erin; Twyford, Jennifer M.; Chin, Jenna K.; DiStefano, Christine A.; Kamphaus, Randy W.; Mays, Kristen L.

    2011-01-01

    The BASC-2 Behavioral and Emotional Screening System (BESS) Student Form (Kamphaus & Reynolds, 2007) is a recently developed youth self-report rating scale designed to identify students at risk for behavioral and emotional problems. The BESS Student Form was derived from the Behavior Assessment System for Children-Second Edition Self-Report of…

  12. The inhibitory effect of Thymus vulgaris extracts on the planktonic form and biofilm structures of six human pathogenic bacteria

    OpenAIRE

    Mohsenipour, Zeinab; Hassanshahian, Mehdi

    2015-01-01

    Objective: Microorganisms are responsible for many problems in industry and medicine because of biofilm formation. Therefore, this study was aimed to examine the effect of Thymus vulgaris (T. vulgaris) extracts on the planktonic form and biofilm structures of six pathogenic bacteria. Materials and methods: Antimicrobial activities of the plant extracts against the planktonic form of the bacteria were determined using the disc diffusion method. MIC and MBC values were evaluated using macrobrot...

  13. Tunnel Formation Inferred from the I-Form Structures of the Proton-Driven Protein Secretion Motor SecDF

    Directory of Open Access Journals (Sweden)

    Arata Furukawa

    2017-05-01

    Full Text Available Protein secretion mediated by SecYEG translocon and SecA ATPase is enhanced by membrane-embedded SecDF by using proton motive force. A previous structural study of SecDF indicated that it comprises 12 transmembrane helices that can conduct protons and three periplasmic domains, which form at least two characterized transition states, termed the F and I forms. We report the structures of full-length SecDF in I form at 2.6- to 2.8-Å resolution. The structures revealed that SecDF in I form can generate a tunnel that penetrates the transmembrane region and functions as a proton pathway regulated by a conserved Asp residue of the transmembrane region. In one crystal structure, periplasmic cavity interacts with a molecule, potentially polyethylene glycol, which may mimic a substrate peptide. This study provides structural insights into the Sec protein translocation that allows future analyses to develop a more detailed working model for SecDF.

  14. Structural Origin of the Enhanced Glass-Forming Ability Induced by Microalloying Y in the ZrCuAl Alloy

    Directory of Open Access Journals (Sweden)

    Gu-Qing Guo

    2016-03-01

    Full Text Available In this work, the structural origin of the enhanced glass-forming ability induced by microalloying Y in a ZrCuAl multicomponent system is studied by performing synchrotron radiation experiments combined with simulations. It is revealed that the addition of Y leads to the optimization of local structures, including: (1 more Zr-centered and Y-centered icosahedral-like clusters occur in the microstructure; (2 the atomic packing efficiency inside clusters and the regularity of clusters are both enhanced. These structural optimizations help to stabilize the amorphous structure in the ZrCuAlY system, and lead to a high glass-forming ability (GFA. The present work provides an understanding of GFAs in multicomponent alloys and will shed light on the development of more metallic glasses with high GFAs.

  15. Exploring the propensities of helices in PrP(C) to form beta sheet using NMR structures and sequence alignments.

    OpenAIRE

    Dima, R I; Thirumalai, D

    2002-01-01

    Neurodegenerative diseases induced by transmissible spongiform encephalopathies are associated with prions. The most spectacular event in the formation of the infectious scrapie form, referred to as PrP(Sc), is the conformational change from the predominantly alpha-helical conformation of PrP(C) to the PrP(Sc) state that is rich in beta-sheet content. Using sequence alignments and structural analysis of the available nuclear magnetic resonance structures of PrP(C), we explore the propensities...

  16. Charge form factors and alpha-cluster internal structure of 12C

    International Nuclear Information System (INIS)

    Luk'yanov, V.K.; Zemlyanaya, E.V.; Kadrev, D.N.; Antonov, A.N.; Spasova, K.; Anagnostatos, G.S.; Ginis, P.; Giapitzakis, J.

    1999-01-01

    The transition densities and form factors of 0 + , 2 + , and 3 - states in 12 C are calculated in alpha-cluster model using the triangle frame with clusters in the vertices. The wave functions of nucleons in the alpha clusters are taken as they were obtained in the framework of the models used for the description of the 4 He form factor and momentum distribution which are based on the one-body density matrix construction. They contain effects of the short-range NN correlations, as well as the d-shell admixtures in 4 He. Calculations and the comparison with the experimental data show that visible effects on the form and magnitude of the 12 C form factors take place, especially at relatively large momentum transfers

  17. Chemical and Charge Imbalance Induced by Radionuclide Decay: Effects on Waste Form Structure

    Energy Technology Data Exchange (ETDEWEB)

    Van Ginhoven, Renee M.; Jaffe, John E.; Jiang, Weilin; Strachan, Denis M.

    2011-04-01

    This is a milestone document covering the activities to validate theoretical calculations with experimental data for the effect of the decay of 90Sr to 90Zr on materials properties. This was done for a surragate waste form strontium titanate.

  18. Study of two-nucleon wave functions in 3He

    International Nuclear Information System (INIS)

    Bracco, A.; Gubler, H.P.; Hasell, D.K.

    1983-01-01

    The reaction 3 He(p,2p)pn has been studied at 250 and 400 MeV in a quasifree scattering arrangement characterized by P(recoil) = 0 and various excitation or total energies E(recoil) of the unobserved p-n pair. The 3 He spectral function deduced in the framework of the plane-wave impulse approximation is compared to the predictions of Faddeev and variational calculations. Comparisons are also made with p-n relative-motion momentum distributions calculated as the overlap between plane waves for the p-n pair and Irving, Irving-Gunn, and Khanna wave functions for 3 He

  19. Study of two-nucleon wave functions in 3He

    International Nuclear Information System (INIS)

    Bracco, A.; Gubler, H.P.; Hasell, D.K.

    1982-11-01

    The 3 He(p,2p)pn reaction has been studied in a quasi-free scattering arrangement characterized by (anti) p(recoil) = 0 and various excitation or total energies E(recoil) of the unobserved p-n pair. Data were obtained at 250 and 400 MeV at symmetric and asymmetric pairs of angles. The 3 He spectral function deduced in the framework of the plane wave impulse approximation is compared to the predictions of Faddeev and variational calculations. Comparisons are also made with p-n relative motion momentum distributions as the overlap between plane waves for the p-n pair and Irving, Irving-Gunn and Khanna wave functions for 3 He

  20. Exploring the role of cognitive and structural forms of social capital in ...

    African Journals Online (AJOL)

    The article presents a synthesis of data from three village case studies focusing on how structural and cognitive social capital may have influenced the progression of the HIV epidemic in the Kagera region of Tanzania. Grounded theory was used to develop a theoretical model describing the possible links between structural ...

  1. The influence of hydraulic forces on the selection of structural form

    NARCIS (Netherlands)

    Glerum, A.; Schippers, J.

    1981-01-01

    Besides that the hydraulic forces have an influence on the structure, the shape of the structure may often influence the hydraulic loads as well. A distinction should be made between hydrostatic forces which are for instance caused by a difference in head between two water levels and dynamic forces

  2. Nuclear Structure Aspects of Neutrinoless Double-β Decay

    Science.gov (United States)

    Brown, B. A.; Horoi, M.; Sen'kov, R. A.

    2014-12-01

    We decompose the neutrinoless double-β decay matrix elements into sums of products over the intermediate nucleus with two less nucleons. We find that the sum is dominated by the Jπ=0+ ground state of this intermediate nucleus for both the light and heavy neutrino decay processes. This provides a new theoretical tool for comparing and improving nuclear structure models. It also provides the connection to two-nucleon transfer experiments.

  3. Structural evidence for the partially oxidized dipyrromethene and dipyrromethanone forms of the cofactor of porphobilinogen deaminase: structures of the Bacillus megaterium enzyme at near-atomic resolution

    International Nuclear Information System (INIS)

    Azim, N.; Deery, E.; Warren, M. J.; Wolfenden, B. A. A.; Erskine, P.; Cooper, J. B.; Coker, A.; Wood, S. P.; Akhtar, M.

    2014-01-01

    The enzyme porphobilinogen deaminase (PBGD; hydroxymethylbilane synthase; EC 2.5.1.61) catalyses a key early step in the biosynthesis of tetrapyrroles in which four molecules of the monopyrrole porphobilinogen are condensed to form a linear tetrapyrrole. Two near-atomic resolution structures of PBGD from B. megaterium are reported that demonstrate the time-dependent accumulation of partially oxidized forms of the cofactor, including one that possesses a tetrahedral C atom in the terminal pyrrole ring. The enzyme porphobilinogen deaminase (PBGD; hydroxymethylbilane synthase; EC 2.5.1.61) catalyses an early step of the tetrapyrrole-biosynthesis pathway in which four molecules of the monopyrrole porphobilinogen are condensed to form a linear tetrapyrrole. The enzyme possesses a dipyrromethane cofactor, which is covalently linked by a thioether bridge to an invariant cysteine residue (Cys241 in the Bacillus megaterium enzyme). The cofactor is extended during the reaction by the sequential addition of the four substrate molecules, which are released as a linear tetrapyrrole product. Expression in Escherichia coli of a His-tagged form of B. megaterium PBGD has permitted the X-ray analysis of the enzyme from this species at high resolution, showing that the cofactor becomes progressively oxidized to the dipyrromethene and dipyrromethanone forms. In previously solved PBGD structures, the oxidized cofactor is in the dipyromethenone form, in which both pyrrole rings are approximately coplanar. In contrast, the oxidized cofactor in the B. megaterium enzyme appears to be in the dipyrromethanone form, in which the C atom at the bridging α-position of the outer pyrrole ring is very clearly in a tetrahedral configuration. It is suggested that the pink colour of the freshly purified protein is owing to the presence of the dipyrromethene form of the cofactor which, in the structure reported here, adopts the same conformation as the fully reduced dipyrromethane form

  4. Mechanical properties of regular hexahedral lattice structure formed by selective laser melting

    International Nuclear Information System (INIS)

    Sun, Jianfeng; Yang, Yongqiang; Wang, Di

    2013-01-01

    The Ti–6Al–4V lattice structure is widely used in the aerospace field. This research first designs a regular hexahedral unit, processes the lattice structure composed of the Ti–6Al–4V units by selective laser melting technology, obtains the experimental fracture load and the compression deformation of them through compression tests, then conducts a simulation of the unit and the lattice structure through ANSYS to analyze the failure point. Later, according to the force condition of the point, the model of maximum load is built, through which the analytical formula of the fracture load of the unit and the lattice structure are obtained. The results of groups of experiments demonstrate that there exists an exponential relationship between the practical fracture load and the porosity of the lattice structure. There also exists a trigonometric function relationship between the compression deformation and the porosity of the lattice structure. The fracture analysis indicates that fracture of the units and lattice structure is brittle fracture due to cleavage fracture. (paper)

  5. Closed-form dynamic stability criterion for elastic-plastic structures under near-fault ground motions

    Directory of Open Access Journals (Sweden)

    Kotaro eKojima

    2016-03-01

    Full Text Available A dynamic stability criterion for elastic-plastic structures under near-fault ground motions is derived in closed-form. A negative post-yield stiffness is treated in order to consider the P-delta effect. The double impulse is used as a substitute of the fling-step near-fault ground motion. Since only the free-vibration appears under such double impulse, the energy approach plays a critical role in the derivation of the closed-form solution of a complicated elastic-plastic response of structures with the P-delta effect. It is remarkable that no iteration is needed in the derivation of the closed-form dynamic stability criterion on the critical elastic-plastic response. It is shown via the closed-form expression that several patterns of unstable behaviors exist depending on the ratio of the input level of the double impulse to the structural strength and on the ratio of the negative post-yield stiffness to the initial elastic stiffness. The validity of the proposed dynamic stability criterion is investigated by the numerical response analysis for structures under double impulses with stable or unstable parameters. Furthermore the reliability of the proposed theory is tested through the comparison with the response analysis to the corresponding one-cycle sinusoidal input as a representative of the fling-step near-fault ground motion. The applicability of the proposed theory to actual recorded pulse-type ground motions is also discussed.

  6. How Much Structuring Is Beneficial with Regard to Examination Scores? A Prospective Study of Three Forms of Active Learning

    Science.gov (United States)

    Reinhardt, Claus H.; Rosen, Evelyne N.

    2012-01-01

    Many studies have demonstrated a superiority of active learning forms compared with traditional lecture. However, there is still debate as to what degree structuring is necessary with regard to high exam outcomes. Seventy-five students from a premedical school were randomly attributed to an active lecture group, a cooperative group, or a…

  7. Production of Curved Precast Concrete Elements for Shell Structures and Free-form Architecture using the Flexible Mould Method

    NARCIS (Netherlands)

    Schipper, H.R.; Grünewald, S.; Eigenraam, P.; Raghunath, P.; Kok, M.A.D.

    2014-01-01

    Free-form buildings tend to be expensive. By optimizing the production process, economical and well-performing precast concrete structures can be manufactured. In this paper, a method is presented that allows producing highly accurate double curved-elements without the need for milling two expensive

  8. Neutron powder diffraction studies as a function of temperature of structure II hydrate formed from propane

    Science.gov (United States)

    Rawn, C.J.; Rondinone, A.J.; Chakoumakos, B.C.; Circone, S.; Stern, L.A.; Kirby, S.H.; Ishii, Y.

    2003-01-01

    Neutron powder diffraction data confirm that hydrate samples synthesized with propane crystallize as structure type II hydrate. The structure has been modeled using rigid-body constraints to describe C3H8 molecules located in the eight larger polyhedral cavities of a deuterated host lattice. Data were collected at 12, 40, 100, 130, 160, 190, 220, and 250 K and used to calculate the thermal expansivity from the temperature dependence of the lattice parameters. The data collected allowed for full structural refinement of atomic coordinates and the atomic-displacement parameters.

  9. Form Exploration of Folded Plate Timber Structures based on Performance Criteria

    DEFF Research Database (Denmark)

    Falk, Andreas; Von Buelow, Peter

    2011-01-01

    This paper presents an explorative study on applications of cross-laminated timber (CLT) elements in shell structures. Previous studies of plate tensegrity, folded plate roofs interacting with stabilising steel-based systems and studies inspired by origami show a widening range of possibilities...... experimental. Folded plate structures which are the focus of this paper present several issues of structural importance – potential mechanisms, subdivision of surfaces etc. – and the hereby presented study aims at exploring developed typologies, using computer tools for developed optimisation procedures...... with interaction from the designer....

  10. Partonic structure of neutral pseudoscalars via two photon transition form factors

    Science.gov (United States)

    Raya, Khépani; Ding, Minghui; Bashir, Adnan; Chang, Lei; Roberts, Craig D.

    2017-04-01

    The γ γ*→ηc ,b transition form factors are computed using a continuum approach to the two valence-body bound-state problem in relativistic quantum field theory, and thereby unified with equivalent calculations of electromagnetic pion elastic and transition form factors. The resulting γ γ*→ηc form factor, Gηc(Q2),is consistent with available data; significantly, at accessible momentum transfers, Q2Gη c(Q2) lies well below its conformal limit. These observations confirm that the leading-twist parton distribution amplitudes of heavy-heavy bound states are compressed relative to the conformal limit. A clear understanding of the distribution of valence quarks within mesons thus emerges, a picture which connects Goldstone modes, built from the lightest quarks in nature, with systems containing the heaviest valence quarks that can now be studied experimentally, and highlights basic facts about manifestations of mass within the Standard Model.

  11. Environment as a basis for the design of advertising structures by forming

    Science.gov (United States)

    Khmelevsky, Y. P.; Seryakov, V. A.; Mamontov, G. Y.; Tsarenko, D. T.

    2017-01-01

    A few different neighbouring styles of architectural forms are quite frequent in the cities of great historical past. As a result, a designer or architect has to solve the complex problem while designing the objects within such environment, i.e. one has to fit them naturally into the existing site development. Often, form making is found to be hard, due to the fact that the existing architectural forms of totally different stylistic execution coexist in the visual proximity. Presently, placement of the advertising bills in urban environment is both an urgent and debatable issue. On the one hand, advertising providers are keen to present their product bigger and brighter, on the other hand, the overall and eye-catching exhibition stands can be disharmonious with the surrounding architectural ensemble of the city. This situation is relevant for every cultural city.

  12. Metal surface coloration by oxide periodic structures formed with nanosecond laser pulses

    Science.gov (United States)

    Veiko, Vadim; Karlagina, Yulia; Moskvin, Mikhail; Mikhailovskii, Vladimir; Odintsova, Galina; Olshin, Pavel; Pankin, Dmitry; Romanov, Valery; Yatsuk, Roman

    2017-09-01

    In this work, we studied a method of laser-induced coloration of metals, where small-scale spatially periodic structures play a key role in the process of color formation. The formation of such structures on a surface of AISI 304 stainless steel was demonstrated for the 1.06 μm fiber laser with nanosecond duration of pulses and random (elliptical) polarization. The color of the surface depends on the period, height and orientation of periodic surface structures. Adjustment of the polarization of the laser radiation or change of laser incidence angle can be used to control the orientation of the structures. The formation of markings that change their color under the different viewing angles becomes possible. The potential application of the method is metal product protection against falsification.

  13. Structural biologists capture detailed image of gene regulator’s fleeting form | Center for Cancer Research

    Science.gov (United States)

    Using an ultrafast, high-intensity radiation source called an X-ray free-electron laser (XFEL), scientists have captured an atomic-level picture of an RNA structure called a riboswitch as it reorganizes itself to regulate protein production. The structure they visualized has never before been seen, and likely exists for only milliseconds after the riboswitch first encounters its activating molecule.  Read more...  

  14. Sediment concentration and bed form structures of Gulf of Cambay from remote sensing

    Digital Repository Service at National Institute of Oceanography (India)

    Kunte, P.D.

    The continental shelf on the west coast of India is the widest off Mumbai, Maharashtra, India and leads to a strongly converging channel, the Gulf of Cambay (GoC). Tides in this Gulf are the largest on the Indian coast. The flow-generated bed forms...

  15. On the crystalline structures of iron oxides formed during the removal process of iron in water

    International Nuclear Information System (INIS)

    Cho, Bongyeon; Fujita, Kenji; Oda, Katsuro; Ino, Hiromitsu

    1993-01-01

    The iron oxide samples collected from both filtration and batch reactors were analysed by X-ray diffraction and Moessbauer spectroscopy. In the filtration of water containing iron, the oxidized form of iron was determined to be ferrihydrite. In contrast, in the batch experiment without filtration, iron was oxidized to microcrystalline goethite. (orig.)

  16. Characterization of bainitic/martensitic structures formed in isothermal treatments below the M

    NARCIS (Netherlands)

    Navarro Lopez, A.; Hidalgo Garcia, J.; Sietsma, J.; Santofimia Navarro, M.J.

    2017-01-01

    Advanced Multiphase High Strength Steels are generally obtained by applying isothermal treatments around the martensite start temperature (Ms). Previous investigations have shown that bainitic ferrite can form from austenite in isothermal treatments below Ms, where its

  17. Self-selection in size and structure in argon clusters formed on amorphous carbon

    NARCIS (Netherlands)

    Krainyukova, Nina V.; van de Waal, B.W.

    2004-01-01

    Argon clusters formed on an amorphous carbon substrate as deposited from the vapor phase were studied by means of transmission high energy electron diffraction using the liquid helium cryostat. Electron diffractograms were analysed on the basis of assumption that there exist a cluster size

  18. Structure and properties of cerium oxides in bulk and nanoparticulate forms

    International Nuclear Information System (INIS)

    Gangopadhyay, Shruba; Frolov, Dmitry D.; Masunov, Artëm E.; Seal, Sudipta

    2014-01-01

    The experimental and computational studies on the cerium oxide nanoparticles, as well as stoichiometric phases of bulk ceria are reviewed. Based on structural similarities of these phases in hexagonal aspect, electroneutral and non-polar pentalayers are identified as building blocks of type A sesquioxide structure. The idealized core/shell structure of the ceria nanoparticles is described as dioxide core covered by a single pentalayer of sesquioxide, which explains the exceptional stability of subsurface vacancies in nanoceria. The density functional theory (DFT) predictions of the lattice parameters and elastic moduli for the Ce(IV) and Ce(III) oxides at the hybrid DFT level are also presented. The calculated values for both compounds agree with available experimental data and allow predicting changes in the lattice parameter with decreasing size of the nanoparticles. The lattice parameter is calculated as equilibrium between contraction of sesquioxide structure in the core, and expansion of dioxide structure in the shell of the nanoparticle. This is consistent with available XRD data on ceria NPs obtained in mild aqueous conditions. The core/shell model, however, breaks down when applied to the size dependence of lattice parameter in NPs obtained by the laser ablation techniques

  19. Form Exploration of Folded Plate Timber Structures based on Performance Criteria

    DEFF Research Database (Denmark)

    Falk, Andreas; Buelow, Peter Von

    2011-01-01

    This paper presents an explorative study on applications of cross-laminated timber (CLT) elements in shell structures. Previous studies of plate tensegrity, folded plate roofs interacting with stabilising steel-based systems and studies inspired by origami show a widening range of possibilities...... to develop timber-based shells. Steadily rising interest in rationality during pre-fabrication, transport and on-site construction in contemporary industrialised production increases the competitiveness of CLT-based elements and systems and the architectural applications are getting more common and more...... experimental. Folded plate structures which are the focus of this paper present several issues of structural importance – potential mechanisms, subdivision of surfaces etc. – and the hereby presented study aims at exploring developed typologies, using computer tools for developed optimisation procedures...

  20. Incorporating Structural Health Monitoring in the design of slip formed concrete wind turbine towers

    DEFF Research Database (Denmark)

    Hovgaard, Mads Knude

    The design of most civil structures follows the partial-safety-factor format. The partial-safety-factors are coefficients written in codes and guidelines, i.e. decided by administrative societal organs. They ensure that all new structures have similar and sufficient safety levels. When civil...... into the maintenance planning, as the data adds information concerning the reliability. Parallel to the evolution of this applied science, the disciplines of condition monitoring, fault detection, nondestructive evaluation and damage prognosis, have spawned the topic of Structural Health Monitoring (SHM). Formally...... speaking, SHM is the discipline of transforming sequential information of a structure’s dynamic response, typically obtained during normal operating conditions, to real-time decisions of actions regarding maintenance and operations. This being said, very little effort has been put into the value...

  1. Crystal structures of the free and inhibited forms of plasmepsin I (PMI) from Plasmodium falciparum.

    Science.gov (United States)

    Bhaumik, Prasenjit; Horimoto, Yasumi; Xiao, Huogen; Miura, Takuya; Hidaka, Koushi; Kiso, Yoshiaki; Wlodawer, Alexander; Yada, Rickey Y; Gustchina, Alla

    2011-07-01

    Plasmepsin I (PMI) is one of the four vacuolar pepsin-like proteases responsible for hemoglobin degradation by the malarial parasite Plasmodium falciparum, and the only one with no crystal structure reported to date. Due to substantial functional redundancy of these enzymes, lack of inhibition of even a single plasmepsin can defeat efforts in creating effective antiparasitic agents. We have now solved crystal structures of the recombinant PMI as apoenzyme and in complex with the potent peptidic inhibitor, KNI-10006, at the resolution of 2.4 and 3.1Å, respectively. The apoenzyme crystallized in the orthorhombic space group P2(1)2(1)2(1) with two molecules in the asymmetric unit and the structure has been refined to the final R-factor of 20.7%. The KNI-10006 bound enzyme crystallized in the tetragonal space group P4(3) with four molecules in the asymmetric unit and the structure has been refined to the final R-factor of 21.1%. In the PMI-KNI-10006 complex, the inhibitors were bound identically to all four enzyme molecules, with the opposite directionality of the main chain of KNI-10006 relative to the direction of the enzyme substrates. Such a mode of binding of inhibitors containing an allophenylnorstatine-dimethylthioproline insert in the P1-P1' positions, previously reported in a complex with PMIV, demonstrates the importance of satisfying the requirements for the proper positioning of the functional groups in the mechanism-based inhibitors towards the catalytic machinery of aspartic proteases, as opposed to binding driven solely by the specificity of the individual enzymes. A comparison of the structure of the PMI-KNI-10006 complex with the structures of other vacuolar plasmepsins identified the important differences between them and may help in the design of specific inhibitors targeting the individual enzymes. Published by Elsevier Inc.

  2. Simulations of the Pore Structures for a M2GlyR Derived Channel Forming Peptide in Different Membrane Environments

    Science.gov (United States)

    Al-Rawi, A.; Herrera, A.; Tomich, J.; Rahman, T.

    2007-03-01

    As part of an effort to develop a peptide-based compound suitable for clinical use as a channel replacement therapeutic for treating channelopathies such as cystic fibrosis, we present a reductionist model that appears to grasp the characteristics of ion channeling peptides. In particular we present the observed changes in the functional characteristics of NK4-M2GlyR p22 (KKKKPARVGLGITTVLTMTTQS), a M2 GlyR derived channel forming peptide. Starting with a structure determined by multidimensional NMR (800 MHz) in SDS, a potential from CHARMM force-field was used to relax the structure of NK4-M2GlyR p22. Following the relaxation, numerous pore structures were generated for the symmetric five-helix assembly with geometries varying from cylindrical to conical. As it is difficult a priori to assign accurately the orientation of the hydrophilic portion of M2GlyR derived amphipath towards the inside of the pore, we tilted and rotated the helical structure by five different angles about the backbone axis before forming the pore. Energy minimization of the channel was performed in vacuum, in phosphotidylcholine (POPC) membrane, and 60% POPC 30% phosphotidylethanolamine (POPE) in order to determine the effect of the environment surrounding on the structure on its energy minimization. We will present the various pore assemblies, in the different membrane environments, used to predict the most probably membrane bound structure.

  3. Lutein and its oxidized forms in eye structures throughout prenatal human development.

    Science.gov (United States)

    Panova, Ina G; Yakovleva, Marina A; Tatikolov, Alexander S; Kononikhin, A S; Feldman, Tatiana B; Poltavtseva, Rimma A; Nikolaev, E N; Sukhikh, Gennady T; Ostrovsky, Mikhail A

    2017-07-01

    The presence of carotenoids in the vitreous body, retina, lens, retinal pigment epithelium together with choroid (hereinafter RPE), and ciliary body and iris together with choroidal stroma (hereinafter CBI) was studied throughout the second trimester of prenatal development of the human eye. It has been found that the vitreous body, retina, and RPE contain lutein and its oxidized forms. Zeaxanthin was not found in the tissues studied. The presence of lutein in the vitreous body is transient and no longer detected after 28 weeks of gestation. Lutein was not detected in the lens and CBI, but its oxidized forms were found. The presence of carotenoids in different tissues of the eye in the course of normal eye development and the antioxidant role of carotenoids are discussed. Copyright © 2017 Elsevier Ltd. All rights reserved.

  4. Interaction of morphological structure and prefix transparency in the processing of Bulgarian aspectual verb forms.

    Science.gov (United States)

    Nikolova, Rossitza; Jarema, Gonia

    2002-01-01

    This study investigates the processing of polymorphemic words in a highly inflected language, Bulgarian. The roles of semantic transparency, aspect, and bound or free root status in the recognition of aspectual verb forms were probed in the visual modality in a simple lexical decision and a masked priming experiment at a short SOA. Results from the two experiments yielded effects of semantic transparency and morphological complexity, demonstrating that both factors influence the recognition of prefixed aspectual forms in Bulgarian and pointing toward different access procedures. In contrast, the status of the root did not influence recognition patterns, suggesting that free-standing and bound roots are equivalent lexical units of access and representation in Bulgarian. Copyright 2002 Elsevier Science (USA).

  5. The Forms of Child and Family Help Within the Local Government Structures

    Directory of Open Access Journals (Sweden)

    ELŻBIETA ZIEJA

    2017-10-01

    Full Text Available The problem of development of the forms of help being given to a child and family by local governments has been attracting the society's attention in Poland since the beginning of the 1990 s. The analyzed forms of family and child in local communities is only a certain element of the whole care and educational system aimed at achieving European standards. Short statistics of the described reports of the Ministry of Work and Social Politics and the data of Santa Claus Fund have allowed the author to look into the development of these kinds of help operating in local communities over last decade. Describing the tasks of parish and district councils can differentiate after the legislator the most significant forms of care and support for families in children such as protected flats, specialized family guidance, special centers for families in crisis, day care homes, educational centers, community centers, social and therapeutic centers and clubs. The reformed system of child and family care in Poland is based on the development of family support and preventive actions that correspond with the international law and good practice standards and the main stream of changes in the countries- members of the European Union. The proposed contents are to get people acquainted with the issues of care, upbringing, support and professional assistance for a child and family in their environment

  6. The inhibitory effect of Thymus vulgaris extracts on the planktonic form and biofilm structures of six human pathogenic bacteria.

    Science.gov (United States)

    Mohsenipour, Zeinab; Hassanshahian, Mehdi

    2015-01-01

    Microorganisms are responsible for many problems in industry and medicine because of biofilm formation. Therefore, this study was aimed to examine the effect of Thymus vulgaris (T. vulgaris) extracts on the planktonic form and biofilm structures of six pathogenic bacteria. Antimicrobial activities of the plant extracts against the planktonic form of the bacteria were determined using the disc diffusion method. MIC and MBC values were evaluated using macrobroth dilution technique. Anti-biofilm effects were assessed by microtiter plate method. According to disc diffusion test (MIC and MBC), the ability of Thymus vulgaris (T. vulgaris ) extracts for inhibition of bacteria in planktonic form was confirmed. In dealing with biofilm structures, the inhibitory effect of the extracts was directly correlated to their concentration. Except for the inhibition of biofilm formation, efficacy of each extract was independent from type of solvent. According to the potential of Thymus vulgaris (T. vulgaris) extracts to inhibit the test bacteria in planktonic and biofilm form, it can be suggested that Thymus vulgaris (T. vulgaris) extracts can be applied as antimicrobial agents against the pathogenic bacteria particularly in biofilm forms.

  7. Data Structuring and Modeling of Dental Documentation in a Form of Interactive Dental Cross

    Czech Academy of Sciences Publication Activity Database

    Dostálová, T.; Zvárová, Jana; Seydlová, M.; Teuberová, Z.; Pieš, Martin; Hanzlíček, Petr

    2007-01-01

    Roč. 5, č. 3 (2007), s. 288-290 ISSN 1881-4581 R&D Projects: GA AV ČR 1ET200300413 Institutional research plan: CEZ:AV0Z10300504 Keywords : electronic health record * structured data entry Subject RIV: IN - Informatics, Computer Science

  8. Structure and properties of fixed joints formed by ultrasonic-assisted friction-stir welding

    Energy Technology Data Exchange (ETDEWEB)

    Fortuna, S. V., E-mail: s-fortuna@ispms.ru; Ivanov, K. V., E-mail: ikv@ispms.ru; Eliseev, A. A., E-mail: alan@ispms.ru [Institute of Strength Physics and Materials ScienceTomsk, 634055 (Russian Federation); Tarasov, S. Yu., E-mail: tsy@ispms.ru; Ivanov, A. N., E-mail: ivan@ispms.ru; Rubtsov, V. E., E-mail: rvy@ispms.ru; Kolubaev, E. A., E-mail: eak@ispms.ru [Institute of Strength Physics and Materials ScienceTomsk, 634055 (Russian Federation); National Research Tomsk Polytechnic University, Tomsk, 634050 (Russian Federation)

    2015-10-27

    This paper deals with structure and properties of aluminum alloy 7475 and its joints obtained by friction stir welding including under ultrasonic action. Microhardness measurements show that ultrasonic action increases strength properties of the joints. Optical and transmission electron microscopy reveals that this effect is related to the precipitation of tertiary coherent S-and T-phase particles.

  9. The general form of the relaxation of a purely interfacial energy for structured deformations

    Czech Academy of Sciences Publication Activity Database

    Šilhavý, Miroslav

    2017-01-01

    Roč. 5, č. 2 (2017), s. 191-215 ISSN 2326-7186 Institutional support: RVO:67985840 Keywords : structured deformations * relaxation * subadditive envelope * interfacial energy Subject RIV: BA - General Mathematics OBOR OECD: Applied mathematics http://msp.org/memocs/2017/5-2/p04.xhtml

  10. Form Follows Function: Advances in Trilayered Structure Replication for Aortic Heart Valve Tissue Engineering

    Science.gov (United States)

    Simionescu, Dan T.; Chen, Joseph; Jaeggli, Michael; Wang, Bo; Liao, Jun

    2013-01-01

    Tissue engineering the aortic heart valve is a challenging endeavor because of the particular hemodynamic and biologic conditions present in the native aortic heart valve. The backbone of an ideal valve substitute should be a scaffold that is strong enough to withstand billions of repetitive bending, flexing and stretching cycles, while also being slowly degradable to allow for remodeling. In this review we highlight three overlooked aspects that might influence the long term durability of tissue engineered valves: replication of the native valve trilayered histoarchitecture, duplication of the three-dimensional shape of the valve and cell integration efforts focused on getting the right number and type of cells to the right place within the valve structure and driving them towards homeostatic maintenance of the valve matrix. We propose that the trilayered structure in the native aortic valve that includes a middle spongiosa layer cushioning the motions of the two external fibrous layers should be our template for creation of novel scaffolds with improved mechanical durability. Furthermore, since cells adapt to micro-loads within the valve structure, we believe that interstitial cell remodeling of the valvular matrix will depend on the accurate replication of the structures and loads, resulting in successful regeneration of the valve tissue and extended durability. PMID:23355946

  11. Form Follows Function: Advances in Trilayered Structure Replication for Aortic Heart Valve Tissue Engineering

    Directory of Open Access Journals (Sweden)

    Dan T. Simionescu

    2012-01-01

    Full Text Available Tissue engineering the aortic heart valve is a challenging endeavor because of the particular hemodynamic and biologic conditions present in the native aortic heart valve. The backbone of an ideal valve substitute should be a scaffold that is strong enough to withstand billions of repetitive bending, flexing and stretching cycles, while also being slowly degradable to allow for remodeling. In this review, we highlight three overlooked aspects that might influence the long term durability of tissue engineered valves: (i replication of the native valve trilayered histoarchitecture, (ii duplication of the three-dimensional shape of the valve, (iii and cell integration efforts focused on getting the right number and type of cells to the right place within the valve structure and driving them towards homeostatic maintenance of the valve matrix. We propose that the trilayered structure in the native aortic valve that includes a middle spongiosa layer cushioning the motions of the two external fibrous layers should be our template for creation of novel scaffolds with improved mechanical durability. Furthermore, since cells adapt to micro-loads within the valve structure, we believe that interstitial cell remodeling of the valvular matrix will depend on the accurate replication of the structures and loads, resulting in successful regeneration of the valve tissue and extended durability.

  12. The crystal structures of new forms of AlF3 as determined from their synchrotron powder-diffraction patterns

    International Nuclear Information System (INIS)

    Harlow, R.L.; Herron, N.; Thorn, D.L.

    1994-01-01

    Aluminum fluoride phases are established catalysts in many classes of fluorocarbon transformations, particularly important at this time because they are key to the production of CFC alternatives. Much of what has been known about the various phases of AlF 3 , however, is open-quotes folkloreclose quotes and many of the reported phases appear to be spurious. Of the two well-characterized phases, the open-framework beta-AlF 3 has been found to be much more active than the condensed form, alpha-AlF 3 . In an effort to find new, more reliable synthetic routes to beta-AlF 3 , the pyrolysis of a variety of organic-[AlF 4 ] salts was attempted. This technique not only produced the beta-form but also a variety of new forms now designated as eta, theta, and kappa. Since these new phases were produced only in a microcrystalline state, it was not possible to characterize their structures by conventional single-crystal diffraction techniques. As a result, ab initio structural studies using synchrotron powder data were used to characterize these phases. All of the new phases consist of corner-shared AlF 6 octahedra and all contain channels. The paper details the synthesis of these new phases, the value of powder diffraction as a structural tool, and the structural relationships among the various AlF 3 phases

  13. Structure and properties of polyaniline nanocomposite coatings containing gold nanoparticles formed by low-energy electron beam deposition

    Science.gov (United States)

    Wang, Surui; Rogachev, A. A.; Yarmolenko, M. A.; Rogachev, A. V.; Xiaohong, Jiang; Gaur, M. S.; Luchnikov, P. A.; Galtseva, O. V.; Chizhik, S. A.

    2018-01-01

    Highly ordered conductive polyaniline (PANI) coatings containing gold nanoparticles were prepared by low-energy electron beam deposition method, with emeraldine base and chloroauric acid used as target materials. The molecular and chemical structure of the layers was studied by Fourier transform infrared, Raman, UV-vis and X-ray photoelectron spectroscopy. The morphology of the coatings was investigated by atomic force and transmission electron microscopy. Conductive properties were obtained by impedance spectroscopy method and scanning spreading resistance microscopy mode at the micro- and nanoscale. It was found that the emeraldine base layers formed from the products of electron-beam dispersion have extended, non-conductive polymer chains with partially reduced structure, with the ratio of imine and amine groups equal to 0.54. In case of electron-beam dispersion of the emeraldine base and chloroauric acid, a protoemeraldine structure is formed with conductivity 0.1 S/cm. The doping of this structure was carried out due to hydrochloric acid vapor and gold nanoparticles formed by decomposition of chloroauric acid, which have a narrow size distribution, with the most probable diameter about 40 nm. These gold nanoparticles improve the conductivity of the thin layers of PANI + Au composite, promoting intra- and intermolecular charge transfer of the PANI macromolecules aligned along the coating surface both at direct and alternating voltage. The proposed deposition method of highly oriented, conductive nanocomposite PANI-based coatings may be used in the direct formation of functional layers on conductive and non-conductive substrates.

  14. Structure and interactions of a malarial vaccine candidate, AMA1, form the parasite plasmodium falciparum

    International Nuclear Information System (INIS)

    Miles, L.A.; Keizer, D.W.; Hodder, A.N.; Nair, M.; Hinds, M.G.; Norton, R.S.; Li, F.; Foley, M.; Coley, A.; Anders, R.F.

    2001-01-01

    Full text: Apical membrane antigen 1 (AMA1), a merozoite surface protein found in all species of Plasmodium and other apicomplexan parasites, is a strong candidate for inclusion in a malarial vaccine. Recombinant AMA1 protected against P. fragile in monkeys and P. chabaudi adami in mice. P. falciparum AMA1 which has a 62-kDa ectodomain consisting of three disulphide-stabilised domains, is a target of antibodies that inhibit merozoite invasion in vitro. Here we describe the solution structure of domain III (14 kDa), determined by NMR on 15 N- and 13 C/ 15 N-labelled samples. It has a well-defined disulphide-stabilised core interrupted by a disordered loop, and both the N- and C-terminal regions of the molecule are unstructured. The structured region includes all three disulphide bonds. Naturally-occurring mutations across 11 different P falciparum strains that are located far apart in the sequence cluster around the disulphide core in the 3D structure of domain III, suggesting that this region contains the major epitopes recognised by neutralising antibodies. Consistent with this, the disulphide-bond stabilised conformation of the ectodomain was essential for protection, as the antigen was not an effective vaccine after reduction and alkylation. Peptides have been found by phage display that bind to AMA1 and block merozoite invasion of erythrocytes. We have investigated their solution structures and interaction with full-length AMA1 ectodomain in an effort to understand the structure-function relationships of this important vaccine candidate

  15. Correlating EPR and X-ray structural analysis of arsenite-inhibited forms of aldehyde oxidoreductase.

    Science.gov (United States)

    Thapper, Anders; Boer, D R; Brondino, Carlos D; Moura, José J G; Romão, Maria J

    2007-03-01

    Two arsenite-inhibited forms of each of the aldehyde oxidoreductases from Desulfovibrio gigas and Desulfovibrio desulfuricans have been studied by X-ray crystallography and electron paramagnetic resonance (EPR) spectroscopy. The molybdenum site of these enzymes shows a distorted square-pyramidal geometry in which two ligands, a hydroxyl/water molecule (the catalytic labile site) and a sulfido ligand, have been shown to be essential for catalysis. Arsenite addition to active as-prepared enzyme or to a reduced desulfo form yields two different species called A and B, respectively, which show different Mo(V) EPR signals. Both EPR signals show strong hyperfine and quadrupolar couplings with an arsenic nucleus, which suggests that arsenic interacts with molybdenum through an equatorial ligand. X-ray data of single crystals prepared from EPR-active samples show in both inhibited forms that the arsenic atom interacts with the molybdenum ion through an oxygen atom at the catalytic labile site and that the sulfido ligand is no longer present. EPR and X-ray data indicate that the main difference between both species is an equatorial ligand to molybdenum which was determined to be an oxo ligand in species A and a hydroxyl/water ligand in species B. The conclusion that the sulfido ligand is not essential to determine the EPR properties in both Mo-As complexes is achieved through EPR measurements on a substantial number of randomly oriented chemically reduced crystals immediately followed by X-ray studies on one of those crystals. EPR saturation studies show that the electron transfer pathway, which is essential for catalysis, is not modified upon inhibition.

  16. Extreme value predictions and critical wave episodes for marine structures by FORM

    DEFF Research Database (Denmark)

    Jensen, Jørgen Juncher

    2008-01-01

    The aim of the present paper is to advocate for a very effective stochastic procedure, based on the First Order Reliability Method (FORM), for extreme value predictions related to wave induced loads. Three different applications will be illustrated. The first deals with a jack-up rig where second...... order stochastic waves are included in the analysis. The second application is parametric roll motions of ships. Finally, the motion of a TLP floating foundation for an offshore wind turbine is analysed taking into account large motions....

  17. Tubular House - Form Follows Technology, Concrete Shell Structure with Inner Thermal Insulation

    Science.gov (United States)

    Idem, Robert; Kleczek, Paweł; Pawłowski, Krzysztof; Chudoba, Piotr

    2017-10-01

    The aim of this paper is the theoretical analysis of the possibilities and limitations of using an unconventional technology and the original architectural form stemming from it - the building with external construction and internal insulation. In Central European climatic conditions, the traditional solution for the walls of heated buildings relies on using external thermal insulation. This stems from building physics: it prevents interstitial condensation of water vapour in the wall. Internal insulation is used exceptionally. This is done e.g. in historical buildings undergoing thermal modernization (due to the impossibility of interfering with facade). In such cases, a thermal insulation layer is used on the internal wall surface, along with an additional layer of vapour barrier. The concept of building concerns the intentional usage of an internal insulation. In this case, the construction is a tight external reinforced concrete shell. The architectural form of such building is strongly interrelated with the technology, which was used to build it. The paper presents the essence of this concept in descriptive and drawing form. The basic elements of such building are described (the external construction, the internal insulation and ventilation). As a case study, authors present a project of a residential building along with the description of the applied materials and installation solutions, and the results obtained from thermal, humidity and energetic calculations. The discussion presents the advantages and disadvantages of the proposed concept. The basic advantage of this solution is potentially low building cost. This stems from minimizing the ground works, the simplicity of the joints and the outer finish, as well as from the possibility of prefabrication of the elements. The continuity of the thermal insulation allows to reduce the amount of thermal bridges. The applied technology and form are applicable most of all for small buildings, due to limited

  18. Extreme value predictions and critical wave episodes for marine structures by FORM

    DEFF Research Database (Denmark)

    Jensen, Jørgen Juncher

    2007-01-01

    The aim of the present paper is to advocate for a very effective stochastic procedure, based on the First Order Reliability Method (FORM), for extreme value predictions related to wave induced loads. Three different applications will be illustrated. The first deals with a jack-up rig where second...... order stochastic waves are included in the analysis. The second application is parametric roll motions of ships. Finally, the motion of a TLP floating foundation for an offshore wind turbine is analysed taking into account large motions....

  19. [Incidence of anaplastic tumor in structure of other histologic forms of the thyroid gland cancer].

    Science.gov (United States)

    Vinnik, Iu A; Gorbenko, V N; Vas'ko, A R; Kikhtenko, E V; Gargin, V V

    2014-01-01

    The degrees of invasiveness, proliferative activity, morphofunctional activity of nuclei in the thyroidal gland tumors were studied, while analyzing material, obtained in 1343 patients, suffering thyroidal gland cancer (THGC) and operated on in 2000-2013 yrs. Morphological point quantity of malignancy (as a criterion of the tumor progression grade) and mitotic activity in cellular population were determined in various kinds of THGC. Undifferentiated (anaplastic carcinoma) type of THGC is the most malignant one. There were determined a spindle-like, giant-cell and squamous-cell forms of undifferentiated THGC. The presence of sites of differentiated cancer in 33% of histological preparations witnesses the interrelationship with the earlier existed pathological process.

  20. Crystal structure of the low-temperature forms of cesium and rubidium orthophosphates

    International Nuclear Information System (INIS)

    Voronin, V.I.; Proskurina, N.V.; Goshchitskij, B.N.; Berger, I.F.; Sheptyakov, D.V.; Burmakin, E.I.; Stroev, S.S.; Shekhtman, G.Sh.

    2008-01-01

    Making use of the neutron diffraction data base Rietveld method one for the first time determined and made more clear the crystal structure of the low-temperature modifications of Cs 3 PO 4 cesium and Rb 3 PO 4 rubidium orthophosphates. Cs 3 PO 4 and Rb 3 PO 4 were found to be isostructural one as to K 3 PO 4 . The structure is a rhombic one (Pnma, Z=4 sp.gr.) with the following elementary cell parameters: a = 1.23177(6) nm, b=0.88948(4) nm, c=0.64197(3) nm and a = 1.17362(2) nm, b=0.81046(1) nm, c=0.615167(9) nm for Cs 3 PO 4 and Rb 3 PO 4 respectively [ru

  1. An Assessment of Binary Metallic Glasses: Correlations Between Structure, Glass Forming Ability and Stability (Preprint)

    Science.gov (United States)

    2009-04-01

    P. Predecki, B. C. Giessen, and N. J. Grant, "New metastable alloy phases of gold, silver, and aluminium ," Trans. Metall. Soc. AIME, vol. 233, pp...Res. Inst. Tohoku University (Sendai), vol. 27A, pp. 127-146, 1979. [50] A. Inoue, A. Kitamura, and T. Masumoto, "The effect of aluminium on... hydrides ," J. Non-Cryst. Sol., vol. 53, pp. 105-122, 1982. [180] K. Togano and K. Tachikawa, "Structure and superconductivity of metastable phases in

  2. Random protein sequences can form defined secondary structures and are well-tolerated in vivo

    Czech Academy of Sciences Publication Activity Database

    Tretyachenko, Vyacheslav; Vymětal, Jiří; Bednárová, Lucie; Kopecký, V. Jr.; Hofbauerová, K.; Jindrová, Helena; Hubálek, Martin; Souček, Radko; Konvalinka, Jan; Vondrášek, Jiří; Hlouchová, Klára

    2017-01-01

    Roč. 7, Nov 13 (2017), č. článku 15449. ISSN 2045-2322 R&D Projects: GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388963 Keywords : amino acid sequence * de novo proteins * structure prediction Subject RIV: CE - Biochemistry OBOR OECD: Biochemistry and molecular biology Impact factor: 4.259, year: 2016 https://www.nature.com/ articles /s41598-017-15635-8

  3. Small angle neutron scattering form polymer melts: structural investigation and phase behaviour

    International Nuclear Information System (INIS)

    Ertugrul, O.

    2004-01-01

    The Small-Angle Neutron Scattering (SANS) techniques have been used to study the structural properties and phase behavior of polymer melts. A model based on Random Phase Approximation (RPA) is proposed to predict the experimental data. By fitting the model to data we could be able to obtain radius of gyration (a measure of size of a polymer) and phase transition for the sample. (author)

  4. Dynamical, structural and chemical heterogeneities in a binary metallic glass-forming liquid

    Science.gov (United States)

    Puosi, F.; Jakse, N.; Pasturel, A.

    2018-04-01

    As it approaches the glass transition, particle motion in liquids becomes highly heterogeneous and regions with virtually no mobility coexist with liquid-like domains. This complex dynamic is believed to be responsible for different phenomena including non-exponential relaxation and the breakdown of the Stokes-Einstein relation. Understanding the relationships between dynamical heterogeneities and local structure in metallic liquids and glasses is a major scientific challenge. Here we use classical molecular dynamics simulations to study the atomic dynamics and microscopic structure of Cu50Zr50 alloy in the supercooling regime. Dynamical heterogeneities are identified via an isoconfigurational analysis. We demonstrate the transition from isolated to clustering low mobility with decreasing temperature. These slow clusters, whose sizes grow upon cooling, are also associated with concentration fluctuations, characterized by a Zr-enriched phase, with a composition CuZr2 . In addition, a structural analysis of slow clusters based on Voronoi tessellation evidences an increase with respect of the bulk system of the fraction of Cu atoms having a local icosahedral order. These results are in agreement with the consolidated scenario of the relevant role played by icosahedral order in the dynamic slowing-down in supercooled metal alloys.

  5. Modelling size and structure of nanoparticles formed from drying of submicron solution aerosols

    Energy Technology Data Exchange (ETDEWEB)

    Bandyopadhyay, Arpan A.; Pawar, Amol A.; Venkataraman, Chandra; Mehra, Anurag, E-mail: mehra@iitb.ac.in [Indian Institute of Technology Bombay, Department of Chemical Engineering (India)

    2015-01-15

    Drying of submicron solution aerosols, under controlled conditions, has been explored to prepare nanoparticles for drug delivery applications. A computational model of solution drop evaporation is developed to study the evolution of solute gradients inside the drop and predict the size and shell thickness of precipitating nanoparticles. The model considers evaporation as a two-stage process involving droplet shrinkage and shell growth. It was corroborated that droplet evaporation rate controls the solute distribution within a droplet and the resulting particle structure (solid or shell type). At higher gas temperatures, rapid build-up of solute near drop surface from high evaporation rates results in early attainment of critical supersaturation solubility and a steeper solute gradient, which favours formation of larger, shell-type particles. At lower gas temperatures, formation of smaller, solid nanoparticles is indicated. The computed size and shell thickness are in good agreement with experimentally prepared lipid nanoparticles. This study indicates that solid or shell structure of precipitated nanoparticles is strongly affected by evaporation rate, while initial solute concentration in the precursor solution and atomized droplet size affect shell thickness. For the gas temperatures considered, evaporative cooling leads to droplet temperature below the melting point of the lipid solute. Thus, we conclude that control over nanoparticle size and structure, of thermolabile precursor materials suitable for drug delivery, can be achieved by controlling evaporation rates, through selection of aerosol processing conditions.

  6. A structural study of lamellar phases formed by nucleoside-functionalized lipids

    Energy Technology Data Exchange (ETDEWEB)

    Berti, D.; Fratini, E.; Baglioni, P. [Department of Chemistry and CSGI, University of Florence, Via G. Capponi 9, 50121 Florence (Italy); Dante, S.; Hauss, T. [Berlin Neutron Scattering Center, Hahn Meitner Institut, Glienicker Strasse 100, Wannsee, 14109 Berlin (Germany)

    2002-07-01

    We report a neutron-scattering investigation of lamellar phases formed by novel phospholipids bearing nucleosides at the polar-head-group region. These nucleolipids can interact through stacking and H-bond interactions, following a pattern that resembles base-base coupling in natural nucleic acids (DNA, RNA), i.e. they have similar recognition properties. Bilayer stacks formed of DPP-adenosine, DPP-uridine and their 1:1 mixture were investigated after equilibration in a 98% relative humidity atmosphere. The DPP-adenosine spectrum can be accounted for (in analogy to DPPC) by a lamellar phase with a smectic period of about 60 A. DPP-uridine displays a not so straightforward behavior that we have tentatively ascribed to the coexistence of lamellae with different smectic periods. In the 1:1 mixture the lamellar mesophase of DPP-uridine is retained, suggesting a specific interaction of the uridine polar-head group with the adenosine moiety of DPP-adenosine. It should be stressed that this behavior can be considered as an indication of the recognition process occurring at the polar-head-group region of the mixed phospholiponucleoside membrane. (orig.)

  7. A structural study of lamellar phases formed by nucleoside-functionalized lipids

    CERN Document Server

    Berti, D; Baglioni, P; Dante, S; Hauss, T

    2002-01-01

    We report a neutron-scattering investigation of lamellar phases formed by novel phospholipids bearing nucleosides at the polar-head-group region. These nucleolipids can interact through stacking and H-bond interactions, following a pattern that resembles base-base coupling in natural nucleic acids (DNA, RNA), i.e. they have similar recognition properties. Bilayer stacks formed of DPP-adenosine, DPP-uridine and their 1:1 mixture were investigated after equilibration in a 98% relative humidity atmosphere. The DPP-adenosine spectrum can be accounted for (in analogy to DPPC) by a lamellar phase with a smectic period of about 60 A. DPP-uridine displays a not so straightforward behavior that we have tentatively ascribed to the coexistence of lamellae with different smectic periods. In the 1:1 mixture the lamellar mesophase of DPP-uridine is retained, suggesting a specific interaction of the uridine polar-head group with the adenosine moiety of DPP-adenosine. It should be stressed that this behavior can be considere...

  8. Representations of Political Power Structures by Strategically Stable Game Forms: A Survey

    Directory of Open Access Journals (Sweden)

    Bezalel Peleg

    2017-10-01

    Full Text Available We survey the results on representations of committees and constitutions by game forms that possess some kind of equilibrium strategies for each profile of preferences of the players. The survey is restricted to discrete models, that is, we deal with finitely many players and alternatives. No prior knowledge of social choice is assumed: As far as definitions are concerned, the paper is self-contained. Section 2 supplies the necessary general tools for the rest of the paper. Each definition is followed by a simple (but nontrivial example. In Section 3 we give a complete account of representations of committees (proper and monotonic simple games, by exactly and strongly consistent social choice functions. We start with Peleg’s representations of weak games, and then provide a complete and detailed account of Holzman’s solution of the representation problem for simple games without veto players. In Section 4 we deal with representations of constitutions by game forms. Following Gärdenfors we model a constitution by a monotonic and superadditive effectivity function. We fully characterize the representations for three kinds of equilibrium: Nash equilibrium; acceptable equilibrium (Pareto optimal Nash equilibrium; and strong Nash equilibrium. We conclude in Section 5 with a report on two recent works on representations of constitutions under incomplete information.

  9. Structural evolution during fragile-to-strong transition in CuZr(Al) glass-forming liquids

    DEFF Research Database (Denmark)

    Zhou, C.; Hu, L.N.; Sun, Q.J.

    2015-01-01

    In the present work, we show experimental evidence for the dynamic fragile-to-strong (F-S) transition in a series of CuZr(Al) glass-forming liquids (GFLs). A detailed analysis of the dynamics of 98 glass-forming liquids indicates that the F-S transition occurs around Tf-s ≈ 1.36 Tg. Using...... the hyperquenching-annealing-x-ray scattering approach, we have observed a three-stage evolution pattern of medium-range ordering (MRO) structures during the F-S transition, indicating a dramatic change of the MRO clusters around Tf-s upon cooling. The F-S transition in CuZr(Al) GFLs is attributed to the competition...... among the MRO clusters composed of different locally ordering configurations. A phenomenological scenario has been proposed to explain the structural evolution from the fragile to the strong phase in the CuZr(Al) GFLs....

  10. STRUCTURAL AND FUNCTIONAL MODEL OF FORMING FUTURE MUSIC TEACHER’S CREATIVE THINKING IN INSTRUMENTAL AND PERFORMING TRAINING

    Directory of Open Access Journals (Sweden)

    Nadiia Lavrentieva

    2016-11-01

    Full Text Available In the article conceptual bases of forming students’ creative thinking in the instrumental and performing activities are revealed, taking current training trends into account. The contradictions between the requirements of society to create favorable conditions to realize future music teachers’ creative potential and current directions of a higher educational establishment to ‘a result”, which causes a specific system of promotion and support students’ value orientations and encourages students to master existing knowledge, algorithms, and performing models, depict the relevant problems of making out the system of the future music teachers’ instrumental and performing training that is aimed at developing their creative thinking. It is noted that while defining such phenomena as creative thinking and cognitive work a great number of scientists emphasizes on the word “create” which means finding and creating something that hasn’t been found in the previous individual or social experience. The aim of the article is to disclose the content and stages of implementing structural and functional model of forming future music teachers’ creative thinking The model is formed as an alternative to information and reproductive approach to training future specialists. The concept model is based on the target of forming future music teachers’ creative and methodological thinking, professional competence, activity and approaches to the students’ training to complete fulfillment of modern needs of professional and music education. The author specifies criteria of structural model of future music teachers’ creative thinking. They are value and motivational, cognitive and educational, action and technological, creative and modulating ones The effectiveness of the future music teachers’ creative thinking in instrumental and performing training depends on the level of forming clear science-based system that has a certain conceptual

  11. Production of Curved Precast Concrete Elements for Shell Structures and Free-form Architecture using the Flexible Mould Method

    OpenAIRE

    Schipper, H.R.; Grünewald, S.; Eigenraam, P.; Raghunath, P.; Kok, M.A.D.

    2014-01-01

    Free-form buildings tend to be expensive. By optimizing the production process, economical and well-performing precast concrete structures can be manufactured. In this paper, a method is presented that allows producing highly accurate double curved-elements without the need for milling two expensive mould surfaces per single element. The flexible mould is fully reusable and the benefits of applying self-compacting concrete are utilised. The flexible mould process work as follows: Thin concret...

  12. ALS-causing profilin-1-mutant forms a non-native helical structure in membrane environments.

    Science.gov (United States)

    Lim, Liangzhong; Kang, Jian; Song, Jianxing

    2017-11-01

    Despite having physiological functions completely different from superoxide dismutase 1 (SOD1), profilin 1 (PFN1) also carries mutations causing amyotrophic lateral sclerosis (ALS) with a striking similarity to that triggered by SOD1 mutants. Very recently, the C71G-PFN1 has been demonstrated to cause ALS by a gain of toxicity and the acceleration of motor neuron degeneration preceded the accumulation of its aggregates. Here by atomic-resolution NMR determination of conformations and dynamics of WT-PFN1 and C71G-PFN1 in aqueous buffers and in membrane mimetics DMPC/DHPC bicelle and DPC micelle, we deciphered that: 1) the thermodynamic destabilization by C71G transforms PFN1 into coexistence with the unfolded state, which is lacking of any stable tertiary/secondary structures as well as restricted ps-ns backbone motions, thus fundamentally indistinguishable from ALS-causing SOD1 mutants. 2) Most strikingly, while WT-PFN1 only weakly interacts with DMPC/DHPC bicelle without altering the native structure, C71G-PFN1 acquires abnormal capacity in strongly interacting with DMPC/DHPC bicelle and DPC micelle, energetically driven by transforming the highly disordered unfolded state into a non-native helical structure, similar to what has been previously observed on ALS-causing SOD1 mutants. Our results imply that one potential mechanism for C71G-PFN1 to initiate ALS might be the abnormal interaction with membranes as recently established for SOD1 mutants. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Universal divergenceless scaling between structural relaxation and caged dynamics in glass-forming systems.

    Science.gov (United States)

    Ottochian, A; De Michele, C; Leporini, D

    2009-12-14

    On approaching the glass transition, the microscopic kinetic unit spends increasing time rattling in the cage of the first neighbors, whereas its average escape time, the structural relaxation time tau(alpha), increases from a few picoseconds up to thousands of seconds. A thorough study of the correlation between tau(alpha) and the rattling amplitude, expressed by the Debye-Waller factor, was carried out. Molecular-dynamics simulations of both a model polymer system and a binary mixture were performed by varying the temperature, the density rho, the potential and the polymer length to consider the structural relaxation as well as both the rotational and the translation diffusion. The present simulations, together with MD studies on other glassformers, evidence the scaling between the structural relaxation and the caged dynamics. An analytic model of the master curve is developed in terms of two characteristic length scales a(2) (1/2) and sigma(a(2) ) (1/2), pertaining to the distance to be covered by the kinetic unit to reach a transition state. The model does not imply tau(alpha) divergences. The comparison with the experiments supports the numerical evidence over a range of relaxation times as wide as about eighteen orders of magnitude. A comparison with other scaling and correlation procedures is presented. In particular, the density scaling of the length scales a(2) (1/2), sigma(a(2) ) (1/2) proportional to rho(-1/3) is shown to be not supported by the present simulations. The study suggests that the equilibrium and the moderately supercooled states of the glassformers possess key information on the huge slowing-down of their relaxation close to the glass transition. The latter, according to the present simulations, exhibits features consistent with the Lindemann melting criterion and the free-volume model.

  14. Investigations on stratification structure parameters formed from electrical exploding wires in vacuum

    Science.gov (United States)

    Wu, Jian; Lu, Yihan; Li, Xingwen; Zhang, Daoyuan; Qiu, Aici

    2017-11-01

    The density distribution and the energy deposition in dark and light transverse layers from stratification structures were measured and analyzed from electrical exploding wire experiments in vacuum. It is demonstrated that the differences in the areal density of the dark layer and light layer regions were about 2 × 1017/cm2 at 296 ns after voltage collapsed. This difference corresponded to an energy deposition difference of ˜2 eV/atom between the dark and light layers, which likely arises from a ±10% resistivity perturbation during the explosion, as suggested by combining a gas column expansion model and a thermodynamic model.

  15. Structural ordering and glass forming of soft spherical particles with harmonic repulsions

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Bin [School of Materials and Chemical Engineering, Zhongyuan University of Technology, Zhengzhou 450007 (China); Sun, Zhiwei; Ouyang, Wenze, E-mail: oywz@imech.ac.cn; Xu, Shenghua, E-mail: xush@imech.ac.cn [Key Laboratory of Microgravity (National Microgravity Laboratory), Institute of Mechanics, Chinese Academy of Sciences, Beijing 100190 (China)

    2014-04-07

    We carry out dissipative particle dynamics simulations to investigate the dynamic process of phase transformation in the system with harmonic repulsion particles. Just below the melting point, the system undergoes liquid state, face-centered cubic crystallization, body-centered cubic crystallization, and reentrant melting phase transition upon compression, which is in good agreement with the phase diagram constructed previously via thermodynamic integration. However, when the temperature is decreased sufficiently, the system is trapped into an amorphous and frustrated glass state in the region of intermediate density, where the solid phase and crystal structure should be thermodynamically most stable.

  16. Effect of Sn on the oxide subscale structure formed on a 3% Si steel

    Science.gov (United States)

    Cesar, Maria das G. M. M.; Silveira, Carolina C.; Paolinelli, Sebastião C.; Cicale, Stefano

    2018-04-01

    Addition of tin in 3% Si steel is a method to improve magnetic properties since tin in steel is known as an element that segregates at grain boundaries, inhibits grain growth and has a dragging effect on grain boundary movement. However, tin is generally known as an element that has a harmful effect on surface coating properties. The oxide subscale formed on the decarburization annealing of a 3% Si steel containing tin was investigated by SEM, EDS, GDS and FTIR. The forsterite film was evaluated by SEM, EDS and GDS. The higher tin content decreased thickness, oxygen and fayalite/silica ratio in the subscale and resulted into a discontinuous forsterite film with poor oxidation resistance. After secondary coating the samples presented a reddish color due to the formation of iron oxide and poor dielectric property.

  17. Structural studies of formic acid using partial form-factor analysis

    International Nuclear Information System (INIS)

    Swan, G.; Dore, J.C.; Bellissent-Funel, M.C.

    1993-01-01

    Neutron diffraction measurements have been made of liquid formic acid using H/D isotopic substitution. Data are recorded for samples of DCOOD, HCOOD and a (H/D)COOD mixture (α D =0.36). A first-order difference method is used to determine the intra-molecular contribution through the introduction of a partial form-factor analysis technique incorporating a hydrogen-bond term. The method improves the sensitivity of the parameters defining the molecular geometry and avoids some of the ambiguities arising from terms involving spatial overlap of inter- and intra-molecular features. The possible application to other systems is briefly reviewed. (authors). 8 figs., 2 tabs., 8 refs

  18. A study on the structure of pellet formed from polyacrylonitrile carbon prepared between montmorillonite lamellae

    International Nuclear Information System (INIS)

    Sonobe, Naohiro; Kyotani, Takashi; Tomita, Akira; Hishiyama, Yoshihiro.

    1990-01-01

    A carbon prepared from carbonization of polyacrylonitrile between montmorillonite lamellae (IPC) can be pelletized without a binder. The pellet of IPC was formed at about 250 kg/cm 2 , and then it was subjected to heat-treatment at various temperatures up to 2960degC. The graphitizability and orientation of resulted pellet were determined by TEM, SEM observations, X-ray diffraction and magnetoresistance measurements. The meansquare displacement of carbon atoms for the pellet heat-treated at 2960degC is so small that the graphitizability of pellet is very high. The value of transverse magnetoresistance for the pellet is much smaller than expected from its high graphitizability, partly because of the size effect of IPC. The degrees of orientation determined by X-ray diffraction and by magnetoresistance measurements were 23∼36degC and 19∼36degC, respectively. (author)

  19. Psoriasis pathogenesis - Pso p27 constitutes a compact structure forming large aggregates.

    Science.gov (United States)

    Lysvand, Hilde; Helland, Ronny; Hagen, Lars; Slupphaug, Geir; Iversen, Ole-Jan

    2015-07-01

    Psoriasis is a chronic inflammatory skin disease. The absence of microbial organisms as potential causal agents has given rise to the hypothesis that the inflammation is due to an autoimmune reaction. The defined inflamed areas of the skin lesions argue for an immunological disease with a local production of a causal antigen. Pso p27 is a protein generated in mast cells in psoriatic plaques, but not in uninvolved skin. We recently demonstrated that the Pso p27 is generated by cleavage of SerpinB3 (SCCA1) in the presence of mast cell associated chymase. In this communication we demonstrate by X-ray crystallographic analysis that the cleavage products associate into a complex similar to SCCA1, but with the reactive centre loop inserted into a 5-stranded central β-sheet. Native gel electrophoresis show that these Pso p27 complexes form large aggregates which may be of significance with respect to an immunogenic role of Pso p27.

  20. Unusual glass-forming ability induced by changes in the local atomic structure in Ti-based bulk metallic glass

    International Nuclear Information System (INIS)

    Kim, Y C; Chang, H J; Kim, D H; Kim, W T; Cha, P R

    2007-01-01

    The effect of partial replacement of Cu by Be in Ti 50 Cu 32 Ni 15 Sn 3 alloy on the thermal properties, structure, and forming ability of an amorphous phase were investigated by differential scanning calorimetry (DSC), x-ray diffraction (XRD), extended x-ray absorption fine structure (EXAFS), and high-resolution transmission electron microscopy (HRTEM). Ti 50 Cu 25 Ni 15 Sn 3 Be 7 alloy shows enhanced glass-forming ability, enabling one to fabricate a fully amorphous bulk metallic glass sample 2 mm in diameter by injection casting. With the replacement, the supercooled liquid region ΔT x (= T x -T g , where T x is the crystallization temperature and T g is the glass transition temperature) decreased from 73 to 45 K and the reduced glass transition temperature T rg (= T g /T 1 , where T 1 is the liquidus temperature) increased from 0.53 to 0.57. The amorphous Ti 50 Cu 25 Ni 15 Sn 3 Be 7 phase showed a formation of short-range-ordered clusters 1-2 nm in size, which is attributed to the strong interaction between Ti and Be. The results show that ΔT x can be used as a thermal parameter reflecting the glass-forming ability of the alloy only when the phase formed during crystallization is the same as the phase competing with the glass transition during solidification

  1. Hydrophobic radical influence on structure and vibration spectra of zwitter-ionic forms of glycine and alanine in condensed state

    International Nuclear Information System (INIS)

    Ten, G.N.; Kadrov, D.M.; Baranov, V.I.

    2014-01-01

    Structure and vibrational spectra of the zwitter-ionic forms of glycine and alanine in water solution and solid state have been calculated in the B3LYP/6-311++G(d,p) approximation. The environment influence has been taken into account by two methods: the self-consistent reaction field (SCRF) method and one of modeling the glycine and alanine complexes with molecules of water. The structure, energy and spectral properties have been determined which allow establishing an influence of the hydrophobic radical on the glycine and alanine ability to form the hydrogen bonds. It is shown by comparison with experiment that for the calculation of vibrational (IR and Raman) spectra of the zwitter-ionic forms of glycine and alanine in the condensed states they must be surrounded with three molecules of water, one of which is located between the N + H 3 and COO - ionic groups. The value of energy necessary to form the Ala complexes with water compared to Gly ones is 56.47 and 12.55 kcal/mol higher in the case of the complex formation with 1and 3 molecules of water, respectively, located between bipolar groups. (authors)

  2. Simulations of the pore structures for a M2G1yR derived channel forming peptide in membrane

    Science.gov (United States)

    Al-Rawi, Ahlam N.; Al-Rawi, Asma; Chen, Jianhan; Herrera, Alvaro; Tomich, John; Rahman, Talat S.

    2008-03-01

    In an effort to develop a peptide-based compound suitable for clinical use as a channel replacement therapeutic for treating channelopathies such as cystic fibrosis, we present a reductionist model that appears to capture many of the biophysical properties of an intact ion channel using short channel-forming peptides. We have developed two anion selective channel-forming peptides with near native and altered properties from the peptides derived from the glycine receptor: NK4-M2GlyR-p22 WT (KKKKPAR-VGLGITTVLTMTTQS) and NK4-M2GlyR-p22 S22W (KKKKPARVGLGITTVLTMTTQW), respectively. Starting with the two structures determined by solution multidimensional NMR (800 MHz) in SDS, we used CHARMM and NAMD to perform molecular dynamics simulations on the monomers. Using the existing experimental data, we then built an initial 5- helix assembly by altering the tilted angle, rotational angle and pore radius. We investigated the impact of the single mutation at position 22 on the structure and dynamics of the pore formed in a membrane build in a hydrated POPC lipid bilayer. Probable structures for both assemblies are presented.

  3. Small Amphipathic Molecules Modulate Secondary Structure and Amyloid Fibril-forming Kinetics of Alzheimer Disease Peptide Aβ1–42

    Science.gov (United States)

    Ryan, Timothy M.; Friedhuber, Anna; Lind, Monica; Howlett, Geoffrey J.; Masters, Colin; Roberts, Blaine R.

    2012-01-01

    Amyloid fibril formation is associated with a number of debilitating systemic and neurodegenerative diseases. One of the most prominent is Alzheimer disease in which aggregation and deposition of the Aβ peptide occur. Aβ is widely considered to mediate the extensive neuronal loss observed in this disease through the formation of soluble oligomeric species, with the final fibrillar end product of the aggregation process being relatively inert. Factors that influence the aggregation of these amyloid-forming proteins are therefore very important. We have screened a library of 96 amphipathic molecules for effects on Aβ1–42 aggregation and self-association. We find, using thioflavin T fluorescence and electron microscopy assays, that 30 of the molecules inhibit the aggregation process, whereas 36 activate fibril formation. Several activators and inhibitors were subjected to further analysis using analytical ultracentrifugation and circular dichroism. Activators typically display a 1:10 peptide:detergent stoichiometry for maximal activation, whereas the inhibitors are effective at a 1:1 stoichiometry. Analytical ultracentrifugation and circular dichroism experiments show that activators promote a mixture of unfolded and β-sheet structures and rapidly form large aggregates, whereas inhibitors induce α-helical structures that form stable dimeric/trimeric oligomers. The results suggest that Aβ1–42 contains at least one small molecule binding site, which modulates the secondary structure and aggregation processes. Further studies of the binding of these compounds to Aβ may provide insight for developing therapeutic strategies aimed at stabilizing Aβ in a favorable conformation. PMID:22461629

  4. Small amphipathic molecules modulate secondary structure and amyloid fibril-forming kinetics of Alzheimer disease peptide Aβ(1-42).

    Science.gov (United States)

    Ryan, Timothy M; Friedhuber, Anna; Lind, Monica; Howlett, Geoffrey J; Masters, Colin; Roberts, Blaine R

    2012-05-11

    Amyloid fibril formation is associated with a number of debilitating systemic and neurodegenerative diseases. One of the most prominent is Alzheimer disease in which aggregation and deposition of the Aβ peptide occur. Aβ is widely considered to mediate the extensive neuronal loss observed in this disease through the formation of soluble oligomeric species, with the final fibrillar end product of the aggregation process being relatively inert. Factors that influence the aggregation of these amyloid-forming proteins are therefore very important. We have screened a library of 96 amphipathic molecules for effects on Aβ(1-42) aggregation and self-association. We find, using thioflavin T fluorescence and electron microscopy assays, that 30 of the molecules inhibit the aggregation process, whereas 36 activate fibril formation. Several activators and inhibitors were subjected to further analysis using analytical ultracentrifugation and circular dichroism. Activators typically display a 1:10 peptide:detergent stoichiometry for maximal activation, whereas the inhibitors are effective at a 1:1 stoichiometry. Analytical ultracentrifugation and circular dichroism experiments show that activators promote a mixture of unfolded and β-sheet structures and rapidly form large aggregates, whereas inhibitors induce α-helical structures that form stable dimeric/trimeric oligomers. The results suggest that Aβ(1-42) contains at least one small molecule binding site, which modulates the secondary structure and aggregation processes. Further studies of the binding of these compounds to Aβ may provide insight for developing therapeutic strategies aimed at stabilizing Aβ in a favorable conformation.

  5. Interactions between concentric form-from-structure and face perception revealed by visual masking but not adaptation

    Science.gov (United States)

    Feczko, Eric; Shulman, Gordon L.; Petersen, Steven E.; Pruett, John R.

    2014-01-01

    Findings from diverse subfields of vision research suggest a potential link between high-level aspects of face perception and concentric form-from-structure perception. To explore this relationship, typical adults performed two adaptation experiments and two masking experiments to test whether concentric, but not nonconcentric, Glass patterns (a type of form-from-structure stimulus) utilize a processing mechanism shared by face perception. For the adaptation experiments, subjects were presented with an adaptor for 5 or 20 s, prior to discriminating a target. In the masking experiments, subjects saw a mask, then a target, and then a second mask. Measures of discriminability and bias were derived and repeated measures analysis of variance tested for pattern-specific masking and adaptation effects. Results from Experiment 1 show no Glass pattern-specific effect of adaptation to faces; results from Experiment 2 show concentric Glass pattern masking, but not adaptation, may impair upright/inverted face discrimination; results from Experiment 3 show concentric and radial Glass pattern masking impaired subsequent upright/inverted face discrimination more than translational Glass pattern masking; and results from Experiment 4 show concentric and radial Glass pattern masking impaired subsequent face gender discrimination more than translational Glass pattern masking. Taken together, these findings demonstrate interactions between concentric form-from-structure and face processing, suggesting a possible common processing pathway. PMID:24563526

  6. Crystal Structures, Thermal Analysis, and Dissolution Behavior of New Solid Forms of the Antiviral Drug Arbidol with Dicarboxylic Acids

    Directory of Open Access Journals (Sweden)

    Alex N. Manin

    2015-12-01

    Full Text Available Salts of the antiviral drug arbidol (umifenovir (Arb with maleate (Mlc and fumarate (Fum anions have been obtained, and their crystal structures have been described. The crystal structure of arbidol maleate has been redetermined by single crystal X-ray diffraction at 180K. A new arbidol cocrystal in zwitterion form with succinic acid (Suc has also been found and characterized. The arbidol zwitterion was not previously seen in any of the drug crystal forms, and the [Arb + Suc] cocrystal seems to be the first found instance. Analysis of the conformational preferences of the arbidol molecule in the crystal structures has shown that it adopts two types of conformations, namely “open” and “closed” ones. Thermal stability of the arbidol salts and cocrystal have been analyzed by means of differential scanning calorimetry, thermogravimetric, and mass-spectrometry analysis. The dissolution study of the arbidol salts and cocrystal performed in aqueous buffer solutions with pH 1.2 and 6.8 has shown that both the salts and the cocrystal dissolve incongruently to form an arbidol hydrochloride monohydrate at pH 1.2 and an arbidol base at pH 6.8, respectively. The cocrystal reaches the highest solubility level in both pH 1.2 and pH 6.8 solutions.

  7. The reliability and factor structure of Thai Young Schema Questionnaire-Short Form 3.

    Science.gov (United States)

    Sakulsriprasert, Chaiyun; Phukao, Darunee; Kanjanawong, Suree; Meemon, Natthani

    2016-12-01

    Previous research which documented the psychometric properties of Young Schema Questionnaire (YSQ) was conducted in Western countries. The current research examined the reliability and factor structure of the Thai version of the Young Schema-Short From-3 (YSQ-S3). The participants were 622 undergraduates (62% females) recruited from three universities in Chiang Mai, Thailand. Results suggested acceptable internal consistency of 18 early maladaptive schemas (EMSs) (Cronbach's α range from 0.619 to 0.846). Confirmatory factor analysis confirmed the factor structures of 18 EMSs. The results failed to support Young's theoretical schema domain. The authors indicated a four-factor solution as the best alternative second-order model for this population. In conclusion, the Thai version of YSQ-S3 is psychometrically sound questionnaire that can be utilized for assessing EMS, both for research and practice purposes. The current study further provides evidence supporting the existence of 18 EMSs in the non-Western context. Copyright © 2016. Published by Elsevier B.V.

  8. Structural transitions and hysteresis in clump- and stripe-forming systems under dynamic compression.

    Science.gov (United States)

    McDermott, Danielle; Olson Reichhardt, Cynthia J; Reichhardt, Charles

    2016-11-28

    Using numerical simulations, we study the dynamical evolution of particles interacting via competing long-range repulsion and short-range attraction in two dimensions. The particles are compressed using a time-dependent quasi-one dimensional trough potential that controls the local density, causing the system to undergo a series of structural phase transitions from a low density clump lattice to stripes, voids, and a high density uniform state. The compression proceeds via slow elastic motion that is interrupted with avalanche-like bursts of activity as the system collapses to progressively higher densities via plastic rearrangements. The plastic events vary in magnitude from small rearrangements of particles, including the formation of quadrupole-like defects, to large-scale vorticity and structural phase transitions. In the dense uniform phase, the system compresses through row reduction transitions mediated by a disorder-order process. We characterize the rearrangement events by measuring changes in the potential energy, the fraction of sixfold coordinated particles, the local density, and the velocity distribution. At high confinements, we find power law scaling of the velocity distribution during row reduction transitions. We observe hysteresis under a reversal of the compression when relatively few plastic rearrangements occur. The decompressing system exhibits distinct phase morphologies, and the phase transitions occur at lower compression forces as the system expands compared to when it is compressed.

  9. Structural Interface Forms and Their Involvement in Stabilization of Multidomain Proteins or Protein Complexes

    Directory of Open Access Journals (Sweden)

    Jacek Dygut

    2016-10-01

    Full Text Available The presented analysis concerns the inter-domain and inter-protein interface in protein complexes. We propose extending the traditional understanding of the protein domain as a function of local compactness with an additional criterion which refers to the presence of a well-defined hydrophobic core. Interface areas in selected homodimers vary with respect to their contribution to share as well as individual (domain-specific hydrophobic cores. The basic definition of a protein domain, i.e., a structural unit characterized by tighter packing than its immediate environment, is extended in order to acknowledge the role of a structured hydrophobic core, which includes the interface area. The hydrophobic properties of interfaces vary depending on the status of interacting domains—In this context we can distinguish: (1 Shared hydrophobic cores (spanning the whole dimer; (2 Individual hydrophobic cores present in each monomer irrespective of whether the dimer contains a shared core. Analysis of interfaces in dystrophin and utrophin indicates the presence of an additional quasi-domain with a prominent hydrophobic core, consisting of fragments contributed by both monomers. In addition, we have also attempted to determine the relationship between the type of interface (as categorized above and the biological function of each complex. This analysis is entirely based on the fuzzy oil drop model.

  10. Changes to the structure of blood clots formed in the presence of fine particulate matter

    International Nuclear Information System (INIS)

    Metassan, Sofian; Routledge, Michael N; Ariens, Robert A S; Scott, D Julian

    2009-01-01

    Both long-term and short-term exposure (one to two hours) to particulate matter are associated with morbidity and mortality caused by cardiovascular diseases. The underlying mechanisms leading to cardiovascular events are unclear, however, changes to blood coagulability upon exposure to ultrafine particulate matter (UFPM, the smallest of which can enter the circulation) is a plausible mechanism. Objectives: This study aims to investigate the direct effects of particulate matter on fibrin polymerization, lateral aggregation and the formation of fibrin network structure. Methods: Standard Urban Particulate Matter (PM) was suspended in Tris buffer centrifuged and filtered with <200nm filter to obtain ultrafine PM or their water-soluble components. Purified normal fibrinogen was made to clot by adding thrombin and calcium chloride in the presence of varying concentrations of PM. Permeation properties (Darcy constant [Ks]) and turbidity of clots were measured to investigate the effects on flow-rate, pore size, and fibrin polymerization. In addition, confocal microscopy was performed to study detailed clot structure. Results: Total PM increased the Ks of clots in a dose dependant manner (Ks = 4.4, 6.9 and 13.2 x 10-9 cm2 for 0, 50 and 100 |ag/ml total PM concentrations, respectively). Filtered PM also produced a significant increase in Ks at PM concentration of 17 |ag/ml. Final turbidity measurements at 20min were obtained for varying concentrations of PM. Maximum optical density (OD) for 1 mg/ml fibrinogen at 0, 50, 100 and 200 |ag/ml total PM concentrations were 0.39, 0.42, 0.45 and 0.46, respectively. The maximum OD for 0, 17, 34 and 68 |ag/ml filtered PM concentrations were 0.39, 0.42 0.47 and 0.51, respectively, suggesting an increase in fibre diameter with increasing particulate concentration. The lag phase was significantly shorter and the rate of polymerisation was significantly faster in the presence of 68 |ag/ml filtered PM. Confocal microscopy results showed

  11. Pisolithus tinctorius promotes germination and forms mycorrhizal structures in Scots pine somatic embryos in vitro.

    Science.gov (United States)

    Niemi, Karoliina; Häggman, Hely

    2002-10-01

    The results of the present study show that inoculation with the ectomycorrhizal fungus Pisolithus tinctorius (Pers.) Coker and Couch potentially enhances the germination of Scots pine (Pinus sylvestris L.) somatic embryos in vitro. Stimulation by Pisolithus tinctorius was only observed in the absence of direct contact between the symbionts; mature embryos were not sufficiently robust for balanced interaction with the fungus on half-strength DCR medium. Subsequently, on MMN medium with a reduced sugar concentration, direct contact between somatic embryo-derived plants and the fungus resulted in in vitro formation of mycorrhiza. Ex vitro inoculation also improved adaptation of the somatic embryo-derived plants, even though mycorrhizal structures were not observed. The reactions to Pisolithus tinctorius varied between different Scots pine cell lines both in vitro and ex vitro.

  12. Defect structures in nickel and SUS304SS formed by the collapse of cavitation bubbles

    Energy Technology Data Exchange (ETDEWEB)

    Yoshiie, T., E-mail: yoshiie@rri.kyoto-u.ac.j [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka-fu 590-0494 (Japan); Sato, K.; Xu, Q. [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka-fu 590-0494 (Japan); Komatsu, M. [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka-fu 590-0494 (Japan); Hiroshima Institute of Technology, Saeki-ku, Hiroshima-ken 731-5193 (Japan); Futakawa, M.; Naoe, T. [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka-fu 590-0494 (Japan); J-PARC Center, Japan Atomic Energy Agency, Tokai-mura, Ibaraki-ken 319-1195 (Japan); Kawai, M. [Research Reactor Institute, Kyoto University, Kumatori-cho, Sennan-gun, Osaka-fu 590-0494 (Japan); High Energy Accelerator Research Organization, Oho, Tsukuba-shi, Ibaraki-ken 305-0801 (Japan)

    2010-03-15

    A mercury target in high-power spallation neutron sources is subjected to pressure waves induced by a proton beam. The subsequent formation and collapse of cavitation bubbles lead to cavitation damage on the target vessel, especially the beam window. The cavitation damage in Ni and austenitic stainless steel SUS304SS were studied by using an electro-Magnetic IMpact Testing Machine (MIMTM) developed to simulate the damage. The existence of dislocations, stacking fault tetrahedra and vacancies was detected by positron annihilation lifetime measurements in Ni, and non-cellular dislocation structures were observed by transmission electron microscopy in Ni and SUS304SS. In addition, a high density of twins was observed in SUS304SS. These results were compared with those of high-speed compression tests using a high-speed projectile, proving that the cavitation damage caused by MIMTM corresponded to high-speed deformation.

  13. Power Law Versus Exponential Form of Slow Crack Growth of Advanced Structural Ceramics: Dynamic Fatigue

    Science.gov (United States)

    Choi, Sung R.; Gyekenyesi, John P.

    2002-01-01

    The life prediction analysis based on an exponential crack velocity formulation was examined using a variety of experimental data on glass and advanced structural ceramics in constant stress-rate ("dynamic fatigue") and preload testing at ambient and elevated temperatures. The data fit to the strength versus In (stress rate) relation was found to be very reasonable for most of the materials. It was also found that preloading technique was equally applicable for the case of slow crack growth (SCG) parameter n > 30. The major limitation in the exponential crack velocity formulation, however, was that an inert strength of a material must be known priori to evaluate the important SCG parameter n, a significant drawback as compared to the conventional power-law crack velocity formulation.

  14. Incorporating Structural Health Monitoring in the design of slip formed concrete wind turbine towers

    DEFF Research Database (Denmark)

    Hovgaard, Mads Knude

    are employed to represent all variables, and the verification of limit state equations by true/false statement is replaced by the calculation of a probability of failure. The probabilistic approach allows for optimization of life-cycle cost, i.e. not only initial costs but also cost of various maintenance...... actions. The Bayesian pre-posterior analysis enables optimization of life-cycle cost, taking the unknown outcome of various actions into account. This has been practiced for several decades in the planning of maintenance actions for offshore structures. Recently, monitoring data have begun to be included...... speaking, SHM is the discipline of transforming sequential information of a structure’s dynamic response, typically obtained during normal operating conditions, to real-time decisions of actions regarding maintenance and operations. This being said, very little effort has been put into the value...

  15. Water oxidation by manganese oxides formed from tetranuclear precursor complexes: the influence of phosphate on structure and activity.

    Science.gov (United States)

    Shevchenko, Denys; Anderlund, Magnus F; Styring, Stenbjörn; Dau, Holger; Zaharieva, Ivelina; Thapper, Anders

    2014-06-28

    Two types of manganese oxides have been prepared by hydrolysis of tetranuclear Mn(iii) complexes in the presence or absence of phosphate ions. The oxides have been characterized structurally using X-ray absorption spectroscopy and functionally by O2 evolution measurements. The structures of the oxides prepared in the absence of phosphate are dominated by di-μ-oxo bridged manganese ions that form layers with limited long-range order, consisting of edge-sharing MnO6 octahedra. The average manganese oxidation state is +3.5. The structure of these oxides is closely related to other manganese oxides reported as water oxidation catalysts. They show high oxygen evolution activity in a light-driven system containing [Ru(bpy)3](2+) and S2O8(2-) at pH 7. In contrast, the oxides formed by hydrolysis in the presence of phosphate ions contain almost no di-μ-oxo bridged manganese ions. Instead the phosphate groups are acting as bridges between the manganese ions. The average oxidation state of manganese ions is +3. This type of oxide has much lower water oxidation activity in the light-driven system. Correlations between different structural motifs and the function as a water oxidation catalyst are discussed and the lower activity in the phosphate containing oxide is linked to the absence of protonable di-μ-oxo bridges.

  16. Aroylhydrazone Cu(II Complexes in keto Form: Structural Characterization and Catalytic Activity towards Cyclohexane Oxidation

    Directory of Open Access Journals (Sweden)

    Manas Sutradhar

    2016-03-01

    Full Text Available The reaction of the Schiff base (3,5-di-tert-butyl-2-hydroxybenzylidene-2-hydroxybenzohydrazide (H3L with a copper(II salt of a base of a strong acid, i.e., nitrate, chloride or sulphate, yielded the mononuclear complexes [Cu(H2L(NO3(H2O] (1, [Cu(H2LCl]·2MeOH (2 and the binuclear complex [{Cu(H2L}2(µ-SO4]·2MeOH (3, respectively, with H2L− in the keto form. Compounds 1–3 were characterized by elemental analysis, Infrared (IR spectroscopy, Electrospray Ionisation Mass Spectrometry (ESI-MS and single crystal X-ray crystallography. All compounds act as efficient catalysts towards the peroxidative oxidation of cyclohexane to cyclohexyl hydroperoxide, cyclohexanol and cyclohexanone, under mild conditions. In the presence of an acid promoter, overall yields (based on the alkane up to 25% and a turnover number (TON of 250 (TOF of 42 h−1 after 6 h, were achieved.

  17. Structural aspects of cold-formed steel section designed as U-shape composite beam

    Science.gov (United States)

    Saggaff, Anis; Tahir, Mahmood Md.; Azimi, Mohammadamin; Alhajri, T. M.

    2017-11-01

    Composite beam construction usually associated with old-style Hot-Rolled Steel Section (HRSS) has proven to act much better in compare with Cold-Formed Steel Section (CFSS) sections due to thicker section. Due, it's getting popular to replace HRSS with CFSS in some aspects as a composite beam. The advantages such as lightweight, cost effective and easy to install have contributed to the apply CFSS as a preferred construction material for composite beam. There is a few technical data available regarding the application of the usage of CFSS as a composite system, despite the potentials use for residential and light-weight industrial constructions. This paper presents an experimental tests results which have been conducted using CFSS as composite beam. Composite action of CFSS arranged as double beam with Self-Compacting Concrete (SCC) slab are integrated together with bolted shear connectors were used. A full-scale test comprised of 3 proposed composite beam specimens with bolted shear connector spaced at 300 mm interval of grade 8.8 was using single nut with washer on flange of CFS, cast to the slab and loaded until failed. The test show that the bolted shear connector yielded better capacity of ultimate strength and ultimate moment for the proposed composite beam. It can be concluded that, bolted shear connectors of 16 mm in diameter performed better than the other diameter size of bolted shear connectors.

  18. Structure of a hexameric form of RadA recombinase from Methanococcus voltae.

    Science.gov (United States)

    Du, Liqin; Luo, Yu

    2012-05-01

    Archaeal RadA proteins are close homologues of eukaryal Rad51 and DMC1 proteins and are remote homologues of bacterial RecA proteins. For the repair of double-stranded breaks in DNA, these recombinases promote a pivotal strand-exchange reaction between homologous single-stranded and double-stranded DNA substrates. This DNA-repair function also plays a key role in the resistance of cancer cells to chemotherapy and radiotherapy and in the resistance of bacterial cells to antibiotics. A hexameric form of a truncated Methanococcus voltae RadA protein devoid of its small N-terminal domain has been crystallized. The RadA hexamers further assemble into two-ringed assemblies. Similar assemblies can be observed in the crystals of Pyrococcus furiosus RadA and Homo sapiens DMC1. In all of these two-ringed assemblies the DNA-interacting L1 region of each protomer points inward towards the centre, creating a highly positively charged locus. The electrostatic characteristics of the central channels can be utilized in the design of novel recombinase inhibitors.

  19. Probing the structure-function relationship of alpha-latrotoxin-formed channels with antibodies and pronase.

    Science.gov (United States)

    Chanturiya, A N; Nikolaenko, A N; Shatursky OYa; Lishko, V K

    1996-10-01

    The major toxic component of black widow spider (Latrodectus mactans tredecimguttatus) venom, alpha-latrotoxin, is known to form ionic channels in different membranes. In order to probe the extramembrane domains of alpha-latrotoxin molecule, alpha-latrotoxin channels in planar lipid membrane were treated with antibodies to latrotoxin or with pronase added to different sides of the membrane. It was found that antibody addition to the same side as the toxin (cis) decreased channel conductance only at positive potentials across the membrane. In contrast, trans side addition of antibodies changed the channel conductance at both positive and negative potentials: at positive potential conductance first slightly increased then decreased by more then 50%; at negative potential it decreased much more quickly, to only about 20% of the initial value. No dependence on membrane potential was found for pronase treatment of incorporated channels. For both cis and trans application of pronase, channel selectivity for Ca2+, Mg2+, Ba2+ and K+, Na+, Li+ ions did not change significantly but Cd2+ block was decreased. Trans pronase treatment also resulted in some rectification of I/V curves and an increase in channel conductance. We interpret these findings as evidence that alpha-latrotoxin channel has protruding parts on both sides of the membrane and that its conformation in the membrane depends on membrane potential.

  20. Microparticles That Form Immune Complexes as Modulatory Structures in Autoimmune Responses

    Directory of Open Access Journals (Sweden)

    Catalina Burbano

    2015-01-01

    Full Text Available Microparticles (MPs are induced during apoptosis, cell activation, and even “spontaneous” release. Initially MPs were considered to be inert cellular products with no biological function. However, an extensive research and functional characterization have shown that the molecular composition and the effects of MPs depend upon the cellular background and the mechanism inducing them. They possess a wide spectrum of biological effects on intercellular communication by transferring different molecules able to modulate other cells. MPs interact with their target cells through different mechanisms: membrane fusion, macropinocytosis, and receptor-mediated endocytosis. However, when MPs remain in the extracellular milieu, they undergo modifications such as citrullination, glycosylation, and partial proteolysis, among others, becoming a source of neoantigens. In rheumatoid arthritis (RA and systemic lupus erythematosus (SLE, reports indicated elevated levels of MPs with different composition, content, and effects compared with those isolated from healthy individuals. MPs can also form immune complexes amplifying the proinflammatory response and tissue damage. Their early detection and characterization could facilitate an appropriate diagnosis optimizing the pharmacological strategies, in different diseases including cancer, infection, and autoimmunity. This review focuses on the current knowledge about MPs and their involvement in the immunopathogenesis of SLE and RA.

  1. A closed form for fluorescence correlation spectroscopy experiments in submicrometer structures.

    Science.gov (United States)

    Sanguigno, Luigi; De Santo, Ilaria; Causa, Filippo; Netti, Paolo

    2010-12-01

    Fluorescence correlation spectroscopy (FCS) is a powerful technique for measuring low concentrations of fluorescent molecules and their diffusion coefficients in an open detection volume. However, in several practical cases, when FCS measurements are carried out in small compartments like microchannels, neglecting boundary effects could lead to erroneous results. Here, a close form solution is proposed to explicitly account for the presence of walls located at a distance comparable with the characteristic detection volume lengths. We derive a one-dimensional diffusion constrained model and then generalize the solution to the two- and the three-dimensional constrained cases. We further indicate within which limits the standard autocorrelation function (ACF) model gives reliable results in microconfinement. Our model relies just on the assumption of elastic hits at the system walls and succeeds in describing the ACF of fluorescent probes confined along one direction. Through the analysis of FCS experimental data, we are able to predict the correct shape of the ACF in channels of micrometric and submicrometric width and measure the extent of lateral confinement. In addition, it permits the investigation of microstructured material features such as cages and cavities having dimensions on the micrometric range. On the basis of the proposed model, we also show in which conditions confinement could generate an apparent time dependent probe mobility, thus allowing a proper interpretation of the transport process taking place in submicrometric compartments.

  2. Truncated forms of the prion protein PrP demonstrate the need for complexity in prion structure

    Energy Technology Data Exchange (ETDEWEB)

    Wan, William; Stöhr, Jan; Kendall, Amy; Stubbs, Gerald

    2015-09-01

    Self-propagation of aberrant protein folds is the defining characteristic of prions. Knowing the structural basis of self-propagation is essential to understanding prions and their related diseases. Prion rods are amyloid fibrils, but not all amyloids are prions. Prions have been remarkably intractable to structural studies, so many investigators have preferred to work with peptide fragments, particularly in the case of the mammalian prion protein PrP. We compared the structures of a number of fragments of PrP by X-ray fiber diffraction, and found that although all of the peptides adopted amyloid conformations, only the larger fragments adopted conformations that modeled the complexity of self-propagating prions, and even these fragments did not always adopt the PrP structure. It appears that the relatively complex structure of the prion form of PrP is not accessible to short model peptides, and that self-propagation may be tied to a level of structural complexity unobtainable in simple model systems. The larger fragments of PrP, however, are useful to illustrate the phenomenon of deformed templating (heterogeneous seeding), which has important biological consequences.

  3. Structure of the protein core of translation initiation factor 2 in apo, GTP-bound and GDP-bound forms

    International Nuclear Information System (INIS)

    Simonetti, Angelita; Marzi, Stefano; Fabbretti, Attilio; Hazemann, Isabelle; Jenner, Lasse; Urzhumtsev, Alexandre; Gualerzi, Claudio O.; Klaholz, Bruno P.

    2013-01-01

    The crystal structures of the eubacterial translation initiation factor 2 in apo form and with bound GDP and GTP reveal conformational changes upon nucleotide binding and hydrolysis, notably of the catalytically important histidine in the switch II region. Translation initiation factor 2 (IF2) is involved in the early steps of bacterial protein synthesis. It promotes the stabilization of the initiator tRNA on the 30S initiation complex (IC) and triggers GTP hydrolysis upon ribosomal subunit joining. While the structure of an archaeal homologue (a/eIF5B) is known, there are significant sequence and functional differences in eubacterial IF2, while the trimeric eukaryotic IF2 is completely unrelated. Here, the crystal structure of the apo IF2 protein core from Thermus thermophilus has been determined by MAD phasing and the structures of GTP and GDP complexes were also obtained. The IF2–GTP complex was trapped by soaking with GTP in the cryoprotectant. The structures revealed conformational changes of the protein upon nucleotide binding, in particular in the P-loop region, which extend to the functionally relevant switch II region. The latter carries a catalytically important and conserved histidine residue which is observed in different conformations in the GTP and GDP complexes. Overall, this work provides the first crystal structure of a eubacterial IF2 and suggests that activation of GTP hydrolysis may occur by a conformational repositioning of the histidine residue

  4. Structure of the protein core of translation initiation factor 2 in apo, GTP-bound and GDP-bound forms

    Energy Technology Data Exchange (ETDEWEB)

    Simonetti, Angelita [IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Centre National de la Recherche Scientifique (CNRS) UMR 7104/Institut National de la Santé de la Recherche Médicale - INSERM U964/Université de Strasbourg, 1 Rue Laurent Fries, 67404 Illkirch (France); Marzi, Stefano [Architecture et Réactivité de l’ARN, UPR 9002 CNRS, IBMC (Institute of Molecular and Cellular Biology), 15 Rue R. Descartes, 67084 Strasbourg, France, Université de Strasbourg, 67000 Strasbourg (France); Fabbretti, Attilio [University of Camerino, 62032 Camerino (Monaco) (Italy); Hazemann, Isabelle; Jenner, Lasse [IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Centre National de la Recherche Scientifique (CNRS) UMR 7104/Institut National de la Santé de la Recherche Médicale -INSERM U964/Université de Strasbourg, 1 Rue Laurent Fries, 67404 Illkirch (France); Urzhumtsev, Alexandre [IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Centre National de la Recherche Scientifique (CNRS) UMR 7104/Institut National de la Santé de la Recherche Médicale - INSERM U964/Université de Strasbourg, 1 Rue Laurent Fries, 67404 Illkirch (France); Université de Lorraine, 54506 Vandoeuvre-lès-Nancy (France); Gualerzi, Claudio O. [University of Camerino, 62032 Camerino (Monaco) (Italy); Klaholz, Bruno P., E-mail: klaholz@igbmc.fr [IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Centre National de la Recherche Scientifique (CNRS) UMR 7104/Institut National de la Santé de la Recherche Médicale - INSERM U964/Université de Strasbourg, 1 Rue Laurent Fries, 67404 Illkirch (France)

    2013-06-01

    The crystal structures of the eubacterial translation initiation factor 2 in apo form and with bound GDP and GTP reveal conformational changes upon nucleotide binding and hydrolysis, notably of the catalytically important histidine in the switch II region. Translation initiation factor 2 (IF2) is involved in the early steps of bacterial protein synthesis. It promotes the stabilization of the initiator tRNA on the 30S initiation complex (IC) and triggers GTP hydrolysis upon ribosomal subunit joining. While the structure of an archaeal homologue (a/eIF5B) is known, there are significant sequence and functional differences in eubacterial IF2, while the trimeric eukaryotic IF2 is completely unrelated. Here, the crystal structure of the apo IF2 protein core from Thermus thermophilus has been determined by MAD phasing and the structures of GTP and GDP complexes were also obtained. The IF2–GTP complex was trapped by soaking with GTP in the cryoprotectant. The structures revealed conformational changes of the protein upon nucleotide binding, in particular in the P-loop region, which extend to the functionally relevant switch II region. The latter carries a catalytically important and conserved histidine residue which is observed in different conformations in the GTP and GDP complexes. Overall, this work provides the first crystal structure of a eubacterial IF2 and suggests that activation of GTP hydrolysis may occur by a conformational repositioning of the histidine residue.

  5. Social structure vs. self rehabilitation: IDF widows forming an intimate relationship in the sociopolitical discourse

    Directory of Open Access Journals (Sweden)

    Smadar Ben-Asher

    2010-10-01

    Full Text Available The public discourse pertaining to IDF (Israel Defense Forces widows, especially those cohabiting with a partner out of wedlock, is presented by means of a study that analyzes competing representations in the sociopolitical discourse in Israeli society. The social representations give expression to collectivistrepublican perceptions that accord centrality to the widows’ national role of preserving the country’s collective memory in exchange for monetary compensation, and individualist-liberal representations that accord centrality to the individual and do not dictate her conduct in accordance with the role designated for her by the state. The present study analyzed the Internet talkback discourse that appeared in response to a media report presenting the demands of IDF widows for the state’s continuedacknowledgement of its obligation toward them, even after they form a new intimate relationship. The study’s findings corroborate the existence of hegemonic representations that reflect a republicannationalist discourse advocating that the widows should serve the national values of commemoration in order to gain state recognition, alongside emancipated representations of a liberal discourse that accords centrality to the widow as an individual and views her rehabilitation as a private and personal matter. The study also found polemical representations that confront the two perceptions, which can no longer coexist. The study found that respondents belonging to the liberal-individualist group will beinclined to support recognition and state support for the widows irrespective of their personal status, whereas respondents belonging to the republican-collectivist group will be inclined to precondition state recognition and support for the widows on their personal status.

  6. Structure of the Mesophases Formed by a Perfluoroalkyl/Biphenyl Compound. Amphiphilic and Steric Effects

    Science.gov (United States)

    Pensec, Sandrine; Tournilhac, François-Genès; Bassoul, Pierre

    1996-11-01

    We describe the synthesis and mesomorphic behaviour of 4-(1H,1H-perfluorooctyloxy)- 4'-methoxy biphenyl. Two mesophases of smectic E and smectic A types were observed. X-ray diffraction study of the smectic E phase indicates a herringbone arrangement of the biphenyl cores, the perfluoroalkyl chains being in a molten state. The {S_E to S_A} transition is related to the melting of the biphenyl sublattice. In both phases, the flexibility of perfluoroalkyl chains permits the area matching between the two segregated sublayers. Nous décrivons la synthèse et les propriétés mésomorphes du 4-(1H,1H-perfluorooctyloxy)- 4'-méthoxy biphényle. Ce composé forme deux mésophases de type smectique E et smectique A. L'analyse par diffraction des rayons X révèle, dans le cas de la phase smectique E un arrangement en chevrons des coeurs biphényles, les chaînes perfluoroalkyles se trouvant dans un état désordonné. La transition {S_E to S_A} correspond à la fusion partielle de la sous-couche biphényle. Dans les deux phases smectiques, la flexibilité des chaînes perfluoroalkyles permet l'adéquation des aires moléculaires entre les deux sous-couches ségrégées.

  7. Wealth in Ancient Rus: the Essence, Structure, Forms of Realization and Protection

    Directory of Open Access Journals (Sweden)

    Marina Viktorovna Ledeneva

    2012-12-01

    Full Text Available The authors consider wealth as a historical category, which had been filled in the course of society development, creation of new machinery and technologies, increasing complexity of economic relations. The article describes a system of wealth elements of ancient Rus, including natural resources, produced goods, human, social, and institutional capital, knowledge and technology, as well their features, forms of realization and protection. The art of metallurgy, weapon business, shipbuilding, spinning, weaving, furriery, tanning and pottery of Ancient Rus testify to the high level of human capital and technology development. The authors made a conclusion on the importance of social capital, without which monetary wealth did not matter. Wealth in Ancient Rus served as a means of social communication. Wealth in old Russian society had a specific social function, which consisted in increasing individual status by passing personal objects to other members of community. When considering the wealth as a comparative category, the authors conclude that in old Russian society high social prestige of wealth was combined with the duality of ethical evaluation: wealth itself was not condemned, but poverty was given priority over wealth. The authors analyzed the political institutions: veche (council, obshchina (community, druzhina (institution of princely power, verv (commune; economic institutions: pomestyevotchina (estate, dan (tribute, polyudye (collection of tribute, desyatina (tithe, rabstvo (slavery etc.; and legal institutions of Ancient Rus, first of all, Russkaya Pravda (Russian Truth. It is revealed that in Russkaya Pravda one can find the basics of the property law and liability law, as well as some information on capital protection.

  8. A infância enquanto categoria estrutural Childhood as a structural form

    Directory of Open Access Journals (Sweden)

    Jens Qvortrup

    2010-08-01

    tenham como objeto a infância como categoria social, portanto diversa e complementar às outras categorias. A leitura do texto remete a outros temas, tratados por diferentes autores nos demais capítulos, o que faz os pesquisadores brasileiros almejarem a tradução integral do livro.In northern countries, a symbol of the consolidation of a knowledge area is the publication of a handbook - in Portuguese, manual or compendium - whose chapters give a state-of-the-art overview of their respective subjects. In 2009, The Palgrave Handbook of Childhood Studies was published as recognition of the area of childhood studies. It is known that children were mainly investigated by psychology or by pedagogy and that social sciences have produced little about them, giving priority to studies on the family or the school. Just over twenty years, however, children become the focus of social studies of childhood, as social phenomenon. In this sense, there is the field that investigates children as social agents, producing culture, and childhood as category in the social structure, which increased significantly the production of knowledge about the social relations established between the children themselves (their peers and with adults (intra and intergenerational relations on their skills as actors in their lives, as social agents whose actions modify / transform the social worlds in which they are inserted. The text of Professor Jens Qvortrup, responsible for the foundation of the first research group in sociology of childhood (RC53 at the International Sociological Association (ISA, and one of the organizers of the Handbook, focuses childhood as a social structure. Published as first chapter of The Palgrave Handbook of Childhood Studies, the study shows childhood as a segment in a social structure and the applications of a structural perspective, i.e. inserted in the theoretical studies of childhood, the chapter outlines an approach that differs from both research on socialization and

  9. Comprehensive mechanical characterization of PLA fabric combined with PCL to form a composite structure vascular graft.

    Science.gov (United States)

    Li, Chaojing; Wang, Fujun; Douglas, Graeham; Zhang, Ze; Guidoin, Robert; Wang, Lu

    2017-05-01

    Vascular grafts made by tissue engineering processes are prone to buckling and twisting, which can impede blood flow and lead to collapse of the vessel. These vascular conduits may suffer not only from insufficient tensile strength, but also from vulnerabilities related to compression, torsion, and pulsatile pressurization. Aiming to develop a tissue engineering-inspired blood conduit, composite vascular graft (cVG) prototypes were created by combining a flexible polylactic acid (PLA) knitted fabric with a soft polycaprolactone (PCL) matrix. The graft is to be populated in-situ with cellular migration and proliferation into the device. Comprehensive characterizations probed the relationship between structure and mechanical properties of the different cVG prototypes. The composite grafts exhibited major improvements in mechanical characteristics compared to single-material devices, with particular improvement in compression and torsional resistance. A commercial expanded polytetrafluoroethylene (ePTFE) vascular graft was used as a control against the proposed composite vascular grafts. CVG devices showed high tensile strength, high bursting strength, and improved suture retention. Compression, elastic recovery, and compliance were similar to those for the ePTFE graft. Copyright © 2016 Elsevier Ltd. All rights reserved.

  10. Solid state characterization and crystal structure from X-ray powder diffraction of two polymorphic forms of ranitidine base.

    Science.gov (United States)

    de Armas, Héctor Novoa; Peeters, Oswald M; Blaton, Norbert; Van Gyseghem, Elke; Martens, Johan; Van Haele, Gerrit; Van Den Mooter, Guy

    2009-01-01

    Ranitidine hydrochloride (RAN-HCl), a known anti-ulcer drug, is the product of reaction between HCl and ranitidine base (RAN-B). RAN-HCl has been extensively studied; however this is not the case of the RAN-B. The solid state characterization of RAN-B polymorphs has been carried out using different analytical techniques (microscopy, thermal analysis, Fourier transform infrared spectrometry in the attenuated total reflection mode, (13)C-CPMAS-NMR spectroscopy and X-ray powder diffraction). The crystal structures of RAN-B form I and form II have been determined using conventional X-ray powder diffraction in combination with simulated annealing and whole profile pattern matching, and refined using rigid-body Rietveld refinement. RAN-B form I is a monoclinic polymorph with cell parameters: a = 7.317(2), b = 9.021(2), c = 25.098(6) A, beta = 95.690(1) degrees and space group P2(1)/c. The form II is orthorhombic: a = 31.252(4), b = 13.052(2), c = 8.0892(11) A with space group Pbca. In RAN-B polymorphs, the nitro group is involved in a strong intramolecular hydrogen bond responsible for the existence of a Z configuration in the enamine portion of the molecules. A tail to tail packing motif can be denoted via intermolecular hydrogen bonds. The crystal structures of RAN-B forms are compared to those of RAN-HCl polymorphs. RAN-B polymorphs are monotropic polymorphic pairs. (c) 2008 Wiley-Liss, Inc. and the American Pharmacists Association

  11. Comparison of various molecular forms of bovine trypsin: Correlation of infrared spectra with X-ray crystal structures

    Energy Technology Data Exchange (ETDEWEB)

    Prestrelski, S.J. (Mount Sinai School of Medicine of the City Univ. of New York (USA)); Byler, D.M. (U.S. Department of Agriculture, Philadelphia, PA (USA)); Liebman, M.N. (AMOCO Technology Corporation, Naperville, IL (USA))

    1991-01-01

    Fourier-transform infrared spectroscopy is a valuable method for the study of protein conformation in solution primarily because of the sensitivity to conformation of the amide I band (1700-1620 cm{sup {minus}1}) which arises from the backbone C{double bond}O stretching vibration. Combined with resolution-enhancement techniques such as derivative spectroscopy and self-deconvolution, plus the application of iterative curve-fitting techniques, this method provides a wealth of information concerning protein secondary structure. Further extraction of conformational information from the amide I band is dependent upon discerning the correlations between specific conformation types and component bands in the amide I region. In this paper the authors report spectra-structure correlations derived from conformational perturbations in bovine trypsin which arise from autolytic processing, zymogen activation, and active-site inhibition. IR spectra were collected for the single-chain ({beta}-trypsin) and once-cleaved, double-chain ({alpha}-trypsin) forms as well as at various times during the course of autolysis and also for zymogen, trypsinogen, and {beta}-trypsin inhibited with diisopropyl fluorophosphate. Spectral differences among the various molecular forms were interpreted in light of previous biochemical studies of autolysis and the known three-dimensional structures of the zymogen, the active enzyme, and the DIP-inhibited form. The spectroscopic results from these proteins in D{sub 2}O imply that certain loop structures may absorb in the region of 1655 cm{sup {minus}1}. They estimate that this approach to data analysis and interpretation is sensitive to changes of 0.01 unit or less in the relative integrated intensities of component bands in spectra whose peaks are well resolved.

  12. Varying electronic structural forms of ruthenium complexes of non-innocent 9,10-phenanthrenequinonoid ligands.

    Science.gov (United States)

    Mandal, Abhishek; Kundu, Tanaya; Ehret, Fabian; Bubrin, Martina; Mobin, Shaikh M; Kaim, Wolfgang; Lahiri, Goutam Kumar

    2014-02-14

    Bis(acetylacetonato)ruthenium complexes [Ru(acac)2(Q1-3)], 1-3, incorporating redox non-innocent 9,10-phenanthrenequinonoid ligands (Q1 = 9,10-phenanthrenequinone, 1; Q2 = 9,10-phenanthrenequinonediimine, 2; Q3 = 9,10-phenanthrenequinonemonoimine, 3) have been characterised electrochemically, spectroscopically and structurally. The four independent molecules in the unit cell of 2 are involved in intermolecular hydrogen bonding and π-π interactions, leading to a 2D network. The oxidation state-sensitive bond distances of the coordinated ligands Q(n) at 1.296(5)/1.289(5) Å (C-O), 1.315(3)/1.322(4) Å (C-N), and 1.285(3)/1.328(3) Å (C-O/C-N) in 1, 2 and 3, respectively, and the well resolved (1)H NMR resonances within the standard chemical shift range suggest DFT supported variable contributions from valence formulations [Ru(III)(acac)2(Q˙(-))] (spin-coupled) and [Ru(II)(acac)2(Q(0))], respectively. Complexes 1-3 exhibit one oxidation and two reduction steps with comproportionation constants Kc∼ 10(7)-10(22) for the intermediates. The electrochemically generated persistent redox states 1(n) (n = 0, 1-, 2-) and 2(n)/3(n) (n = 1+, 0, 1-, 2-) have been analysed by UV-vis-NIR spectroelectrochemistry and by EPR for the paramagnetic intermediates in combination with DFT and TD-DFT calculations, revealing significant differences in the oxidation state distribution at the {Ru-Q} interface for 1(n)-3(n). In particular, the diminished propensity of the NH-containing systems for reduction results in the preference for Ru(II)(Q(0)) relative to Ru(III)(Q˙(-)) (neutral compounds) and for Ru(II)(Q˙(-)) over the Ru(III)(Q(2-)) alternative in the case of the monoanionic complexes.

  13. Structural-energetic interpretation of competition between complex forms in the UBr3-MBr systems

    International Nuclear Information System (INIS)

    Suglobova, I.G.; Chirkst, D.Eh.

    1978-01-01

    The calorimetric method has been used for determining standard enthalpy values of the formation of bromouranates of alkali metals (M 2 UBr 5 ) and for checking the enthalpy value of the uranium tribromide formation. ΔH 0 of UBr 3 formation is -182.2+-0.5 kcal/mol. Enthalpies of the formation of pentabromouranates from binary bromides (and from simple substances) are: -6.6(-384.3) for K 2 VBr 5 , -9.7(-390.9) for Rb 2 VBr 5 , -10.21(-395.0) kcal/mol for Cs 2 VBr 5 . The error is +-0.5(+-10) kcal/mol. For Cs 3 VBr 6 the enthalpy of the formation is -10+-2 (-496+-3) kcal/mol. The M 2 VBr 5 compounds have rhombic lattices of the Tl 2 AlF 5 type. Sizes of elementary cells and uranium-alkali metal distances in polycrystals of the complexes have been determined on the base of X-ray diffraction patterns. Obtained picnometric densities of 4.51 (M=K), 4.79 (M=Rb), and 4.86+-0.01 g/cm 3 (M=Cs) agree with calculated values. The energy of the V(3)-Br bond is 53+-2 kcal/mol when the uranium coordination number equals 6. A new method has been proposed for evaluating the energy of the crystal lattice of the complexes by interionic distance with the aid of linear extrapolation of expeimental data for binary compounds in logarythmic coordinates. The relationship has been shown between the values and the nature of outer-spherical energetic effects and crystal structure of the complexes

  14. Structure and dynamics of the membrane-bound form of the filamentous bacteriophage coat proteins by NMR spectroscopy

    International Nuclear Information System (INIS)

    Bogusky, M.J.

    1987-01-01

    The structure and dynamics of the Pf1 and fd bacteriophage coat proteins in detergent micelles are characterized in solution by nuclear magnetic resonance spectroscopy. The coat proteins are found to exist within the bacterial inner cell membrane during viral infection and assembly. The coat proteins serve as a model system to investigate integral membrane proteins as well as the viral infection and assembly processes. The coat protein is insoluble in aqueous or organic solvents and can only be effectively solubilized in the presence of detergents that form micelles or phospholipids that form vesicles. The effective molecular weight of the detergent-micelle complex is ca. 30K daltons. Sequential assignment strategies were ineffective due to short T/sub 2s/ and severe resonance degeneracy. The backbone resonance assignments were completed by the combination of several homo- and heteronuclear correlation techniques with biosynthetic 15 N labelling. 2D NOE experiments were used to locate and characterize the secondary structure of the membrane bound form of the proteins showing them to be largely helical with the hydrophobic core existing in a very stable helix

  15. The Structures of Coiled-Coil Domains from Type III Secretion System Translocators Reveal Homology to Pore-Forming Toxins

    Energy Technology Data Exchange (ETDEWEB)

    Barta, Michael L.; Dickenson, Nicholas E.; Patil, Mrinalini; Keightley, Andrew; Wyckoff, Gerald J.; Picking, William D.; Picking, Wendy L.; Geisbrecht, Brian V. (UMKC); (OKLU)

    2012-03-26

    Many pathogenic Gram-negative bacteria utilize type III secretion systems (T3SSs) to alter the normal functions of target cells. Shigella flexneri uses its T3SS to invade human intestinal cells to cause bacillary dysentery (shigellosis) that is responsible for over one million deaths per year. The Shigella type III secretion apparatus is composed of a basal body spanning both bacterial membranes and an exposed oligomeric needle. Host altering effectors are secreted through this energized unidirectional conduit to promote bacterial invasion. The active needle tip complex of S. flexneri is composed of a tip protein, IpaD, and two pore-forming translocators, IpaB and IpaC. While the atomic structure of IpaD has been elucidated and studied, structural data on the hydrophobic translocators from the T3SS family remain elusive. We present here the crystal structures of a protease-stable fragment identified within the N-terminal regions of IpaB from S. flexneri and SipB from Salmonella enterica serovar Typhimurium determined at 2.1 {angstrom} and 2.8 {angstrom} limiting resolution, respectively. These newly identified domains are composed of extended-length (114 {angstrom} in IpaB and 71 {angstrom} in SipB) coiled-coil motifs that display a high degree of structural homology to one another despite the fact that they share only 21% sequence identity. Further structural comparisons also reveal substantial similarity to the coiled-coil regions of pore-forming proteins from other Gram-negative pathogens, notably, colicin Ia. This suggests that these mechanistically separate and functionally distinct membrane-targeting proteins may have diverged from a common ancestor during the course of pathogen-specific evolutionary events.

  16. Thermal Analysis by Structural Characterization as a Method for Assessing Heterogeneity in Complex Solid Pharmaceutical Dosage Forms.

    Science.gov (United States)

    Alhijjaj, Muqdad; Reading, Mike; Belton, Peter; Qi, Sheng

    2015-11-03

    Characterizing inter- and intrasample heterogeneity of solid and semisolid pharmaceutical products is important both for rational design of dosage forms and subsequent quality control during manufacture; however, most pharmaceutical products are multicomponent formulations that are challenging in this regard. Thermal analysis, in particular differential scanning calorimetry, is commonly used to obtain structural information, such as degree of crystallinity, or identify the presence of a particular polymorph, but the results are an average over the whole sample; it cannot directly provide information about the spatial distribution of phases. This study demonstrates the use of a new thermo-optical technique, thermal analysis by structural characterization (TASC), that can provide spatially resolved information on thermal transitions by applying a novel algorithm to images acquired by hot stage microscopy. We determined that TASC can be a low cost, relatively rapid method of characterizing heterogeneity and other aspects of structure. In the examples studied, it was found that high heating rates enabled screening times of 3-5 min per sample. In addition, this study demonstrated the higher sensitivity of TASC for detecting the metastable form of polyethylene glycol (PEG) compared to conventional differential scanning calorimetry (DSC). This preliminary work suggests that TASC will be a worthwhile additional tool for characterizing a broad range of materials.

  17. Exploring issues of personality measurement and structure through the development of a short form of the Eysenck Personality Profiler .

    Science.gov (United States)

    Petrides, K V; Jackson, Chris J; Furnham, Adrian; Levine, Stephen Z

    2003-12-01

    In this article, we develop a revised short form of the original Eysenck Personality Profiler (EPP; H. J. Eysenck & Wilson, 1991). In addition, we address topics of broad theoretical importance such as the recurrent empirical finding of correlations between conceptually orthogonal personality dimensions and the possibility that gender differences in these dimensions are partly spurious. In Study 1 (N = 227), we demonstrate that the existing short form of the EPP (EPP-SF; H. J. Eysenck, Wilson, & Jackson, 1996) provides a poor fit to the data and we develop a revised well-fitting version. In Study 2, we retest this version on an independent new sample (N = 3,374) where it is again found to fit the data well. We show that most of the structural and measurement parameters of the revised EPP-SF are invariant across genders. Structured means analysis indicated a significant gender difference in Psychoticism, with men scoring higher than women, but no differences in Extraversion or Neuroticism. Our discussion focuses on issues concerning personality measurement and structure, including an examination of the role of confirmatory factor analysis in personality research.

  18. Oligonucleotide Models of Telomeric DNA and RNA Form a Hybrid G-quadruplex Structure as a Potential Component of Telomeres*

    Science.gov (United States)

    Xu, Yan; Ishizuka, Takumi; Yang, Jie; Ito, Kenichiro; Katada, Hitoshi; Komiyama, Makoto; Hayashi, Tetsuya

    2012-01-01

    Telomeric repeat-containing RNA, a non-coding RNA molecule, has recently been found in mammalian cells. The detailed structural features and functions of the telomeric RNA at human chromosome ends remain unclear, although this RNA molecule may be a key component of the telomere machinery. In this study, using model human telomeric DNA and RNA sequences, we demonstrated that human telomeric RNA and DNA oligonucleotides form a DNA-RNA G-quadruplex. We next employed chemistry-based oligonucleotide probes to mimic the naturally formed telomeric DNA-RNA G-quadruplexes in living cells, suggesting that the process of DNA-RNA G-quadruplex formation with oligonucleotide models of telomeric DNA and RNA could occur in cells. Furthermore, we investigated the possible roles of this DNA-RNA G-quadruplex. The formation of the DNA-RNA G-quadruplex causes a significant increase in the clonogenic capacity of cells and has an effect on inhibition of cellular senescence. Here, we have used a model system to provide evidence about the formation of G-quadruplex structures involving telomeric DNA and RNA sequences that have the potential to provide a protective capping structure for telomere ends. PMID:23012368

  19. Mapping of Force: A Process of Parametric Design from the Prototype Mechanical Mechanism to the Structural Form of a Woven HYPAR Shell

    Directory of Open Access Journals (Sweden)

    Lin Kang Qiang

    2016-01-01

    Full Text Available From a new perspective of structural engineering, with the integration of the 1st and 3rd principal stress distribution of HYPAR shell structure into the selection of texture variation zone, this paper analyzes and demonstrates the key questions of how to establish the association between the force-flow, the texture direction and the form parameters; how to develop a dynamic, performance-optimized and adaptive iteration model of HYPAR shell structural form by setting and adjusting structurally sensitive parameters; and how to realize the process of parametric design from the mechanical mechanism of the prototype to the structural form of the woven HYPAR shell.

  20. Single-Point Incremental Forming of Two Biocompatible Polymers: An Insight into Their Thermal and Structural Properties

    Directory of Open Access Journals (Sweden)

    Luis Marcelo Lozano-Sánchez

    2018-04-01

    Full Text Available Sheets of polycaprolactone (PCL and ultra-high molecular weight polyethylene (UHMWPE were fabricated and shaped by the Single-Point Incremental Forming process (SPIF. The performance of these biocompatible polymers in SPIF was assessed through the variation of four main parameters: the diameter of the forming tool, the spindle speed, the feed rate, and the step size based on a Box–Behnken design of experiments of four variables and three levels. The design of experiments allowed us to identify the parameters that most affect the forming of PCL and UHMWPE. The study was completed by means of a deep characterization of the thermal and structural properties of both polymers. These properties were correlated to the performance of the polymers observed in SPIF, and it was found that the polymer chains are oriented as a consequence of the SPIF processing. Moreover, by X-ray diffraction it was proved that polymer chains behave differently on each surface of the fabricated parts, since the chains on the surface in contact with the forming tool are oriented horizontally, while on the opposite surface they are oriented in the vertical direction. The unit cell of UHMWPE is distorted, passing from an orthorhombic cell to a monoclinic due to the slippage between crystallites. This slippage between crystallites was observed in both PCL and UHMWPE, and was identified as an alpha star thermal transition located in the rubbery region between the glass transition and the melting point of each polymer.

  1. Structure of light mass (exotic) nuclei as evidenced by scattering from hydrogen

    International Nuclear Information System (INIS)

    Amos, K.; Dortmans, P.J.

    1998-01-01

    Microscopic optical model potentials generated by full folding of realistic two-nucleon (n/N) interactions with nuclear structure specified by large basis shell model calculations have been constructed. With those (nonlocal) optical potentials, predictions of light mass nuclei-hydrogen scattering were obtained at intermediate energies (65 to 800 MeV) that agree well with observations of cross sections and analyzing powers

  2. Canopy-forming seaweeds in urchin-dominated systems in eastern Canada: structuring forces or simple prey for keystone grazers?

    Directory of Open Access Journals (Sweden)

    Caitlin Blain

    Full Text Available Models of benthic community dynamics for the extensively studied, shallow rocky ecosystems in eastern Canada emphasize kelp-urchin interactions. These models may bias the perception of factors and processes that structure communities, for they largely overlook the possible contribution of other seaweeds to ecosystem resilience. We examined the persistence of the annual, acidic (H2SO4, brown seaweed Desmarestia viridis in urchin barrens at two sites in Newfoundland (Canada throughout an entire growth season (February to October. We also compared changes in epifaunal assemblages in D. viridis and other conspicuous canopy-forming seaweeds, the non-acidic conspecific Desmarestia aculeata and kelp Agarum clathratum. We show that D. viridis can form large canopies within the 2-to-8 m depth range that represent a transient community state termed "Desmarestia bed". The annual resurgence of Desmarestia beds and continuous occurrence of D. aculeata and A. clathratum, create biological structure for major recruitment pulses in invertebrate and fish assemblages (e.g. from quasi-absent gastropods to >150,000 recruits kg(-1 D. viridis. Many of these pulses phase with temperature-driven mass release of acid to the environment and die-off in D. viridis. We demonstrate experimentally that the chemical makeup of D. viridis and A. clathratum helps retard urchin grazing compared to D. aculeata and the highly consumed kelp Alaria esculenta. In light of our findings and related studies, we propose fundamental changes to the study of community shifts in shallow, rocky ecosystems in eastern Canada. In particular, we advocate the need to regard certain canopy-forming seaweeds as structuring forces interfering with top-down processes, rather than simple prey for keystone grazers. We also propose a novel, empirical model of ecological interactions for D. viridis. Overall, our study underscores the importance of studying organisms together with cross-scale environmental

  3. Canopy-Forming Seaweeds in Urchin-Dominated Systems in Eastern Canada: Structuring Forces or Simple Prey for Keystone Grazers?

    Science.gov (United States)

    Blain, Caitlin; Gagnon, Patrick

    2014-01-01

    Models of benthic community dynamics for the extensively studied, shallow rocky ecosystems in eastern Canada emphasize kelp-urchin interactions. These models may bias the perception of factors and processes that structure communities, for they largely overlook the possible contribution of other seaweeds to ecosystem resilience. We examined the persistence of the annual, acidic (H2SO4), brown seaweed Desmarestia viridis in urchin barrens at two sites in Newfoundland (Canada) throughout an entire growth season (February to October). We also compared changes in epifaunal assemblages in D. viridis and other conspicuous canopy-forming seaweeds, the non-acidic conspecific Desmarestia aculeata and kelp Agarum clathratum. We show that D. viridis can form large canopies within the 2-to-8 m depth range that represent a transient community state termed “Desmarestia bed”. The annual resurgence of Desmarestia beds and continuous occurrence of D. aculeata and A. clathratum, create biological structure for major recruitment pulses in invertebrate and fish assemblages (e.g. from quasi-absent gastropods to >150 000 recruits kg−1 D. viridis). Many of these pulses phase with temperature-driven mass release of acid to the environment and die-off in D. viridis. We demonstrate experimentally that the chemical makeup of D. viridis and A. clathratum helps retard urchin grazing compared to D. aculeata and the highly consumed kelp Alaria esculenta. In light of our findings and related studies, we propose fundamental changes to the study of community shifts in shallow, rocky ecosystems in eastern Canada. In particular, we advocate the need to regard certain canopy-forming seaweeds as structuring forces interfering with top-down processes, rather than simple prey for keystone grazers. We also propose a novel, empirical model of ecological interactions for D. viridis. Overall, our study underscores the importance of studying organisms together with cross-scale environmental variability

  4. FORMA Y VARIACIÓN EN LA ESTRUCTURA DE ALDEA BALINESA / Form and variation in a balinese village structure

    OpenAIRE

    Clifford Geertz

    2013-01-01

    El texto originalmente apareció bajo el título "Form and variation in a balinese village structure", en American Anthropologist, New Series, Vol. 61, N° 6 (Diciembre de 1959), pp. 991-1012. Agradecemos a American Anthropologist por la autorización a publicar esta traducción. Elegimos traducir y editar este texto de Clifford Geertz en la RMA, por considerarlo una pieza clave para los debates de la “era estructuralista”, por sus cualidades intrínsecas y su trascendencia para la teoría – etnogra...

  5. Augmented weak forms and element-by-element preconditioners: Efficient iterative strategies for structural finite elements. A preliminary study

    Science.gov (United States)

    Muller, A.; Hughes, T. J. R.

    1984-01-01

    A weak formulation in structural analysis that provides well conditioned matrices suitable for iterative solutions is presented. A mixed formulation ensures the proper representation of the problem and the constitutive relations are added in a penalized form. The problem is solved by a double conjugate gradient algorithm combined with an element by element approximate factorization procedure. The double conjugate gradient strategy resembles Uzawa's variable-length type algorithms the main difference is the presence of quadratic terms in the mixed variables. In the case of shear deformable beams these terms ensure that the proper finite thickness solution is obtained.

  6. [Forming of the visual cognitive structures in the monkey conditioned-reflex behaviour: the dependence on the sensory information].

    Science.gov (United States)

    Dudkin, K N; Chueva, I V

    2008-01-01

    In monkeys, changes in size and shape of figures led to a significant decrease of correct solutions in training and a considerable increase of refusals from solution of tasks as well as the time of their motor response. The invariance of differentiation in this case was achieved after additional training. The data obtained show that, based on the stimulus sensory processing in conditioned-reflex training, in the long-term memory some differentiating signs are formed: the cognitive structures (the functional neurophysiological mechanisms) maintaining the classification of visual images. With these structures, temporary conditioned connection will be established. Their formation will be determined by the type of sensory information and provided for by existence in the long-term memory of separate subsystems for spatial as well as non-spatial information.

  7. FACTOR STRUCTURE AND PSYCHOMETRIC PROPERTIES OF THE INDEX OF TEACHING STRESS-SHORT FORM (ITS-SF).

    Science.gov (United States)

    Zurlo, Maria Clelia; Pes, Daniela; Romano, Rosaria

    2015-12-01

    This study analyses factor structure and psychometric properties of the Italian short version of the Index of Teaching Stress-Short Form (ITS-SF). The original version of the ITS (90 items) was submitted to 567 teachers randomly drawn from a cross-section of school levels. Confirmatory factor analysis to check the factor structure was unsatisfactory, and Cronbach's α (.98) indicated a redundancy of items. Exploratory factor analysis was conducted for each section of the test and cross-loading items were eliminated. The resulting ITS-SF consists of 43 items, tapping eight meaningful and adequately reliable dimensions substantially corresponding to all dimensions measured by the original version of the ITS. The Italian short version of the Index of Teaching Stress constitutes a reliable measure of teacher stress in educative interactions.

  8. Structural relationships among the multiple forms of DNA-dependent RNA polymerase II from cultured parsley cells

    International Nuclear Information System (INIS)

    Link, G.; Bogorad, L.; Kidd, G.H.; Richter, G.

    1978-01-01

    DNA-dependent RNA polymerase II (or B) was purified from cultured parsley cells, and its molecular structure was examined in detail. Upon centrifugation through glycerol gradients, RNA polymerase II sediments as a single band with an apparent sedimentation constant of 15S. No contamination with RNA polymerases I or III could be detected when the activity of purified RNA polymerase II was assayed in the presence of high concentrations of α-amanitin. Analysis of purified RNA polymerase II be nondenaturing and denaturing polyacrylamide gel electrophoresis revealed that this enzyme exists in multiple forms. They were designated II(O), II(A), and II(B). It is suggested that each form has a subunit of Mr = 140000 as well as smaller polypeptides in common. They differ, however, in the molecular weights of their largest subunits which is 220000 in form II(O), 200000 in form II(A), and 180000 in form II(B). These large subunits were labelled with 125 I, digested with trypsin, and tryptic digests were compared by two-dimensional analysis on thin-layer plates (Elder et al. (1977) J. Biol. Chem. 252, 6510-6515). Fingerprints of tryptic digests from the polypeptides with Mr = 220000, Mr = 200000, and Mr = 180000 were similar. It is, therefore, suggested that these subunits are stucturally related. A tryptic digest was also produced from the subunit with Mr = 140000. Its fingerprint was found to yield a considerably different distribution of peptides as compared to those from the three large subunits. (orig.) [de

  9. Effect of Extracted Compositions of Liquefaction Residue on the Structure and Properties of the Formed-coke

    Directory of Open Access Journals (Sweden)

    Song Yong-hui

    2016-01-01

    Full Text Available The purpose of this paper is to study the effect of extracted compositions of the de-ash liquefaction residue (D-DCLR on pyrolysis products yields, compressive strength and composition of the formed-coke, which was prepared by co-pyrolysis of the low metamorphic pulverized coal and D-DCLR. The scanning electron microscope (SEM and the Fourier Transform Infrared (FT-IR were used to characterize the morphology and functional group of the formed-coke, respectively. The results showed that the extracted compositions of D-DCLR were heavy oil (HS, asphaltene (A, pre-asphaltene (PA and tetrahydrofuran isolusion (THFIS, whose contents were 5.10%, 40.90%, 14.4%, 39.60%, respectively. During the pyrolysis process, HS was the main source of tar, and HS, A as well as PA were conducive to improve gas yields. The THFIS helped to improve the yield of the formed-coke up to 89.5%, corresponding to the compressive strength was only 147.7N/ball for the coke. A and PA were the key factors affecting the compressive strength and surface structure of the formed-coke. The compressive strength of coke could be up to 728.0N/ball with adding D-DCLR, which reduced by 50% after the removal of A and PA. The FT-IR analysis showed that the types of surface functional groups of the formed-coke were remained the same after co-pyrolysis, but the absorption peak intensity of each functional group was changed.

  10. Electronic structure of SnF{sub 3}: An example of valence skipper which forms charge density wave

    Energy Technology Data Exchange (ETDEWEB)

    Hase, I., E-mail: i.hase@aist.go.jp [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8568 (Japan); Yanagisawa, T. [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8568 (Japan); Kawashima, K. [IMRA Material R& D Co., LTD., Kariya, Aichi 448-0032 (Japan)

    2016-11-15

    Highlights: • We calculated the electronic structure of SnF{sub 3} and BaBiO{sub 3} from first principles. • As for SnF{sub 3}, charge-density-wave (CDW) is found, which agrees with the experiment. • As for BaBiO{sub 3}, CDW is not found, contrary to the experiment. • We conclude that the CDW is hard in SnF{sub 3} and is soft in BaBiO{sub 3}. - Abstract: In the present study we calculated the electronic structure of the valence skipping compound SnF{sub 3} and BaBiO{sub 3} from first-principles. We confirmed that the charge-density-wave (CDW) is formed in SnF{sub 3}, and the Sn atoms in two crystallographic different sites take the valence Sn{sup 2+} and Sn{sup 4+}. Structure optimization study reveals that this CDW is stable, though the atomic position is slightly different from the experimental data. This behavior is in contrast with the case of BaBiO{sub 3}, where the structure optimization leads to the uniform state, which means that two Bi sites are equivalent. The CDW state is hard in SnF{sub 3}, which means that the CDW gap is large enough and it is difficult to melt this CDW order.

  11. An Electron-Microscopy Analysis of the Gradient Structure Formed in Titanium During Deposition of a Hard Coating

    Science.gov (United States)

    Ivanov, Yu. F.; Shugurov, V. V.; Krysina, O. V.; Petrikova, E. A.; Ivanova, O. V.; Tolkachev, O. S.

    2017-09-01

    A titanium nitride coating 0.5 μm in thickness is deposited on specimens of VT1-0 technical-grade titanium using a vacuum-arc, plasma-assisted process. The formation of a multilayer, multiphase highly defective structure is observed, whose thickness reaches up to 40 μm. Surface and transition layers are determined from the morphological characteristics. It is shown that the surface layer (300-350 nm thick), where the major phase is TiN, possesses polycrystalline structure (crystallite size is 20-50 nm). The transition layer, whose major phase is Ti2N, is divided into two sublayers. The sublayer immediately adjacent to the surface layer has columnar structure (transverse cross section of the columns is 50-80 nm). The sublayer bordering the bulk of the specimen is formed by quasi-equiaxed crystallites (150-280 nm). The main reason for formation of the multilayer, multiphase structure is thought to be the multistage character of material modification under conditions of common vacuum.

  12. Corrosion behaviour and structure of the surface layer formed on austempered ductile iron in concentrated sulphuric acid

    Energy Technology Data Exchange (ETDEWEB)

    Krawiec, H. [AGH University of Science and Technology, Department of Foundry Engineering, ul. Reymonta 23, 30-059 Cracow (Poland)]. E-mail: krawiec@uci.agh.edu.pl; Stypula, B. [AGH University of Science and Technology, Department of Foundry Engineering, ul. Reymonta 23, 30-059 Cracow (Poland); Stoch, J. [Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences (PAS), ul. Niezapominajek 8, 30-239 Cracow (Poland); Mikolajczyk, M. [Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences (PAS), ul. Niezapominajek 8, 30-239 Cracow (Poland)

    2006-03-15

    The aim of this paper is to investigate the structure of the surface layer formed on austempered ductile iron (ADI) after exposure to hot concentrated sulphuric acid at the open circuit potential value (OCP). The results derived from polarization measurements carried out in sulphuric acid at a temperature of 90 deg. C show that anodic dissolution of ADI is divided into three stages (corresponding to three anodic dissolution peaks). The structure of the layer formed on alloys at 90 deg. C at OCP was investigated using X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM). SEM analysis shows that the main elements of the surface layer are iron, silicon, oxygen, sulphur, and carbon. The binding energy recorded in individual bands indicates that the surface layer includes mainly SiO{sub 2} and FeOOH. The presence of sulphur at the lower oxidation state (S{sup 2-}) indicates that sulphuric acid undergoes reduction during this process. The corrosion resistance of these alloys is connected with the presence of SiO{sub 2} in the surface layer.

  13. Theoretical studies on carbon and silicon clusters: Comparison of the structures and stabilities of neutral and ionic forms

    International Nuclear Information System (INIS)

    Raghavachari, K.

    1989-01-01

    Optimized molecular geometries and electronic structures are determined for neutral, positively charged, and negatively charged carbon and silicon clusters containing up to ten atoms. The effects of polarization functions and electron correlation are included in these calculations. Carbon clusters have linear or monocyclic ground state geometries whereas silicon clusters containing five or more atoms have three-dimensional ground state structures. Neutral C 4 , C 6 and C 8 all have linear and monocyclic isomers of comparable stability whereas the ionic forms appear to be generally more stable as linear geometrical arrangements. In the case of neutral and positively charged carbon clusters, the odd-numbered clusters are significantly more stable than the adjacent even-numbered clusters whereas the opposite order of stability occurs for the negative ions. This is due to the large values of the electron affinities of the linear forms of even-numbered clusters such as C 4 and C 6 . The relative stabilities of silicon clusters do not change with the charge state of the clusters. (orig.)

  14. Review of crystalline structures of some selected homologous series of rod-like molecules capable of forming liquid crystalline phases.

    Science.gov (United States)

    Zugenmaier, Peter

    2011-01-01

    The crystal structures of four homologous series of rod-like molecules are reviewed, two of which form hydrogen bonds and two with a symmetric chemical constitution. Many of the compounds investigated turn into liquid crystalline phases upon temperature increase. It is of valuable interest to know possible conformations and possible packing arrangements as prerequisites to model liquid crystalline structures. The hydrogen bonds of homologous series of pure 4-(ω-hydroxyalkyloxy)-4'-hydroxybiphenyl (HnHBP, n the alkyloxy tail length) are realized through head to tail arrangements of the hydroxyl groups and crystallize except one compound in chiral space groups without the molecules containing any asymmetric carbon. The hydrogen bonds of the homologous series of 4-substituted benzoic acids with various lengths of the tail provide dimers through strong polar bonding of adjacent carboxyl groups and thus provide the stiff part of a mesogenic unit prerequisite for liquid crystalline phases. The homologous series of dialkanoyloxybiphenyls (BP-n, n = 1, 19), of which nine compounds could be crystallized, show liquid crystalline behavior for longer alkane chain lengths, despite the high mobility of the alkane chain ends already detectable in the crystal phase. A single molecule, half a molecule or two half molecules form the asymmetric unit in a centrosymmetric space group. The homologous series of 1,4-terephthalidene-bis-N-(4'-n-alkylaniline) (TBAA-n) exhibit a large variety of packing arrangements in the crystalline state, with or without relying on the symmetry center within the molecules.

  15. TDP-43 inclusion bodies formed in bacteria are structurally amorphous, non-amyloid and inherently toxic to neuroblastoma cells.

    Directory of Open Access Journals (Sweden)

    Claudia Capitini

    Full Text Available Accumulation of ubiquitin-positive, tau- and α-synuclein-negative intracellular inclusions of TDP-43 in the central nervous system represents the major hallmark correlated to amyotrophic lateral sclerosis and frontotemporal lobar degeneration with ubiquitin-positive inclusions. Such inclusions have variably been described as amorphous aggregates or more structured deposits having an amyloid structure. Following the observations that bacterial inclusion bodies generally consist of amyloid aggregates, we have overexpressed full-length TDP-43 and C-terminal TDP-43 in E. coli, purified the resulting full-length and C-terminal TDP-43 containing inclusion bodies (FL and Ct TDP-43 IBs and subjected them to biophysical analyses to assess their structure/morphology. We show that both FL and Ct TDP-43 aggregates contained in the bacterial IBs do not bind amyloid dyes such as thioflavin T and Congo red, possess a disordered secondary structure, as inferred using circular dichroism and infrared spectroscopies, and are susceptible to proteinase K digestion, thus possessing none of the hallmarks for amyloid. Moreover, atomic force microscopy revealed an irregular structure for both types of TDP-43 IBs and confirmed the absence of amyloid-like species after proteinase K treatment. Cell biology experiments showed that FL TDP-43 IBs were able to impair the viability of cultured neuroblastoma cells when added to their extracellular medium and, more markedly, when transfected into their cytosol, where they are at least in part ubiquitinated and phosphorylated. These data reveal an inherently high propensity of TDP-43 to form amorphous aggregates, which possess, however, an inherently high ability to cause cell dysfunction. This indicates that a gain of toxic function caused by TDP-43 deposits is effective in TDP-43 pathologies, in addition to possible loss of function mechanisms originating from the cellular mistrafficking of the protein.

  16. Crystal structure of the fluorescent protein from Dendronephthya sp. in both green and photoconverted red forms

    Energy Technology Data Exchange (ETDEWEB)

    Pletneva, Nadya V.; Pletnev, Sergei; Pakhomov, Alexey A.; Chertkova, Rita V.; Martynov, Vladimir I.; Muslinkina, Liya; Dauter, Zbigniew; Pletnev, Vladimir Z.

    2016-07-13

    The fluorescent protein fromDendronephthyasp. (DendFP) is a member of the Kaede-like group of photoconvertible fluorescent proteins with a His62-Tyr63-Gly64 chromophore-forming sequence. Upon irradiation with UV and blue light, the fluorescence of DendFP irreversibly changes from green (506 nm) to red (578 nm). The photoconversion is accompanied by cleavage of the peptide backbone at the Cα—N bond of His62 and the formation of a terminal carboxamide group at the preceding Leu61. The resulting double Cα=Cβbond in His62 extends the conjugation of the chromophore π system to include imidazole, providing the red fluorescence. Here, the three-dimensional structures of native green and photoconverted red forms of DendFP determined at 1.81 and 2.14 Å resolution, respectively, are reported. This is the first structure of photoconverted red DendFP to be reported to date. The structure-based mutagenesis of DendFP revealed an important role of positions 142 and 193: replacement of the original Ser142 and His193 caused a moderate red shift in the fluorescence and a considerable increase in the photoconversion rate. It was demonstrated that hydrogen bonding of the chromophore to the Gln116 and Ser105 cluster is crucial for variation of the photoconversion rate. The single replacement Gln116Asn disrupts the hydrogen bonding of Gln116 to the chromophore, resulting in a 30-fold decrease in the photoconversion rate, which was partially restored by a further Ser105Asn replacement.

  17. Factor structure and item level psychometrics of the Social Problem Solving Inventory-Revised: Short Form in traumatic brain injury.

    Science.gov (United States)

    Li, Chih-Ying; Waid-Ebbs, Julia; Velozo, Craig A; Heaton, Shelley C

    2016-01-01

    Social problem-solving deficits characterise individuals with traumatic brain injury (TBI), and poor social problem solving interferes with daily functioning and productive lifestyles. Therefore, it is of vital importance to use the appropriate instrument to identify deficits in social problem solving for individuals with TBI. This study investigates factor structure and item-level psychometrics of the Social Problem Solving Inventory-Revised: Short Form (SPSI-R:S), for adults with moderate and severe TBI. Secondary analysis of 90 adults with moderate and severe TBI who completed the SPSI-R:S was performed. An exploratory factor analysis (EFA), principal components analysis (PCA) and Rasch analysis examined the factor structure and item-level psychometrics of the SPSI-R:S. The EFA showed three dominant factors, with positively worded items represented as the most definite factor. The other two factors are negative problem-solving orientation and skills; and negative problem-solving emotion. Rasch analyses confirmed the three factors are each unidimensional constructs. It was concluded that the total score interpretability of the SPSI-R:S may be challenging due to the multidimensional structure of the total measure. Instead, we propose using three separate SPSI-R:S subscores to measure social problem solving for the TBI population.

  18. Factor Structure and Item Level Psychometrics of the Social Problem Solving Inventory Revised-Short Form in Traumatic Brain Injury

    Science.gov (United States)

    Li, Chih-Ying; Waid-Ebbs, Julia; Velozo, Craig A.; Heaton, Shelley C.

    2016-01-01

    Primary Objective Social problem solving deficits characterize individuals with traumatic brain injury (TBI). Poor social problem solving interferes with daily functioning and productive lifestyles. Therefore, it is of vital importance to use the appropriate instrument to identify deficits in social problem solving for individuals with TBI. This study investigates factor structure and item-level psychometrics of the Social Problem Solving Inventory-Revised Short Form (SPSI-R:S), for adults with moderate and severe TBI. Research Design Secondary analysis of 90 adults with moderate and severe TBI who completed the SPSI-R:S. Methods and Procedures An exploratory factor analysis (EFA), principal components analysis (PCA) and Rasch analysis examined the factor structure and item-level psychometrics of the SPSI-R:S. Main Outcomes and Results The EFA showed three dominant factors, with positively worded items represented as the most definite factor. The other two factors are negative problem solving orientation and skills; and negative problem solving emotion. Rasch analyses confirmed the three factors are each unidimensional constructs. Conclusions The total score interpretability of the SPSI-R:S may be challenging due to the multidimensional structure of the total measure. Instead, we propose using three separate SPSI-R:S subscores to measure social problem solving for the TBI population. PMID:26052731

  19. High performances of dual network PVA hydrogel modified by PVP using borax as the structure-forming accelerator.

    Science.gov (United States)

    Huang, Min; Hou, Yi; Li, Yubao; Wang, Danqing; Zhang, Li

    2017-01-01

    A dual network hydrogel made up of polyvinylalcohol (PVA) crosslinked by borax and polyvinylpyrrolidone (PVP) was prepared by means of freezing-thawing circles. Here PVP was incorporated by linking with PVA to form a network structure, while the introduction of borax played the role of crosslinking PVA chains to accelerate the formation of a dual network structure in PVA/PVP composite hydrogel, thus endowing the hydrogel with high mechanical properties. The effects of both PVP and borax on the hydrogels were evaluated by comparing the two systems of PVA/PVP/borax and PVA/borax hydrogels. In the former system, adding 4.0% PVP not only increased the water content and the storage modulus but also enhanced the mechanical strength of the final hydrogel. But an overdose of PVP just as more than 4.0% tended to undermine the structure of hydrogels, and thus deteriorated hydrogels' properties because of the weakened secondary interaction between PVP and PVA. Likewise, increasing borax could promote the gel crosslinking degree, thus making gels show a decrease in water content and swelling ratio, meanwhile shrinking the pores inside the hydrogels and finally enhancing the mechanical strength of hydrogels prominently. The developed hydrogel with high performances holds great potential for applications in biomedical and industrial fields.

  20. Biochemical, mutational and in silico structural evidence for a functional dimeric form of the ornithine decarboxylase from Entamoeba histolytica.

    Directory of Open Access Journals (Sweden)

    Preeti

    Full Text Available BACKGROUND: Entamoeba histolytica is responsible for causing amoebiasis. Polyamine biosynthesis pathway enzymes are potential drug targets in parasitic protozoan diseases. The first and rate-limiting step of this pathway is catalyzed by ornithine decarboxylase (ODC. ODC enzyme functions as an obligate dimer. However, partially purified ODC from E. histolytica (EhODC is reported to exist in a pentameric state. METHODOLOGY AND RESULTS: In present study, the oligomeric state of EhODC was re-investigated. The enzyme was over-expressed in Escherichia coli and purified. Pure protein was used for determination of secondary structure content using circular dichroism spectroscopy. The percentages of α-helix, β-sheets and random coils in EhODC were estimated to be 39%, 25% and 36% respectively. Size-exclusion chromatography and mass spectrophotometry analysis revealed that EhODC enzyme exists in dimeric form. Further, computational model of EhODC dimer was generated. The homodimer contains two separate active sites at the dimer interface with Lys57 and Cys334 residues of opposite monomers contributing to each active site. Molecular dynamic simulations were performed and the dimeric structure was found to be very stable with RMSD value ∼0.327 nm. To gain insight into the functional role, the interface residues critical for dimerization and active site formation were identified and mutated. Mutation of Lys57Ala or Cys334Ala completely abolished enzyme activity. Interestingly, partial restoration of the enzyme activity was observed when inactive Lys57Ala and Cys334Ala mutants were mixed confirming that the dimer is the active form. Furthermore, Gly361Tyr and Lys157Ala mutations at the dimer interface were found to abolish the enzyme activity and destabilize the dimer. CONCLUSION: To our knowledge, this is the first report which demonstrates that EhODC is functional in the dimeric form. These findings and availability of 3D structure model of EhODC dimer

  1. Teaching Form as Form

    DEFF Research Database (Denmark)

    Keiding, Tina Bering

    2012-01-01

    understanding of form per se, or, to use an expression from this text, of form as form. This challenge can be reduced to one question: how can design teaching support students in achieving not only the ability to recognize and describe different form-related concepts in existing design (i.e. analytical...... and concepts from real designs by studying form in abstract contexts. The challenge for the first approach is how to support students in decoupling form from the work as a whole. The challenge for the second approach is how to translate general form into real design. Hence, choosing between the two approaches...

  2. Long-term succession of structure and diversity of a biofilm formed in a model drinking water distribution system

    DEFF Research Database (Denmark)

    Martiny, A.C.; Jørgensen, T.M.; Albrechtsen, Hans-Jørgen

    2003-01-01

    In this study, we examined the long-term development of the overall structural morphology and community composition of a biofilm formed in a model drinking water distribution system with biofilms from 1 day to 3 years old. Visualization and subsequent quantification showed how the biofilm developed...... techniques illustrated the successional formation of a biofilm during a 3-year period in this model drinking water distribution system....... of 16S rRNA fragments illustrated how a wide variety of cells recruited from the bulk water initially attached and resulted in a species richness comparable to that in the water phase. This step was followed by the growth of a bacterium which was related to Nitrospira, which constituted 78...

  3. The structural evolution of Milky-Way-like star-forming galaxies since z ∼ 1.3

    Energy Technology Data Exchange (ETDEWEB)

    Patel, Shannon G.; Fumagalli, Mattia; Franx, Marijn; Labbé, Ivo; Muzzin, Adam [Leiden Observatory, Leiden University, P.O. Box 9513, NL-2300 AA Leiden (Netherlands); Van Dokkum, Pieter G.; Leja, Joel; Skelton, Rosalind E.; Momcheva, Ivelina; Nelson, Erica June [Department of Astronomy, Yale University, New Haven, CT 06511 (United States); Van der Wel, Arjen; Rix, Hans-Walter [Max-Planck-Institut fur extraterrestrische Physik, Giessenbachstrasse, D-85748 Garching (Germany); Brammer, Gabriel [European Southern Observatory, Alonson de Cordova 3107, Casilla 19001, Vitacura, Santiago (Chile); Whitaker, Katherine E. [Astrophysics Science Division, Goddard Space Center, Greenbelt, MD 20771 (United States); Lundgren, Britt; Wake, David A. [Department of Astronomy, University of Wisconsin-Madison, Madison, WI 53706 (United States); Quadri, Ryan F., E-mail: patel@strw.leidenuniv.nl [Observatories of the Carnegie Institution of Washington, Pasadena, CA 91101 (United States)

    2013-12-01

    We follow the structural evolution of star-forming galaxies (SFGs) like the Milky Way by selecting progenitors to z ∼ 1.3 based on the stellar mass growth inferred from the evolution of the star-forming sequence. We select our sample from the 3D-HST survey, which utilizes spectroscopy from the HST/WFC3 G141 near-IR grism and enables precise redshift measurements for our sample of SFGs. Structural properties are obtained from Sérsic profile fits to CANDELS WFC3 imaging. The progenitors of z = 0 SFGs with stellar mass M = 10{sup 10.5} M {sub ☉} are typically half as massive at z ∼ 1. This late-time stellar mass growth is consistent with recent studies that employ abundance matching techniques. The descendant SFGs at z ∼ 0 have grown in half-light radius by a factor of ∼1.4 since z ∼ 1. The half-light radius grows with stellar mass as r{sub e} ∝M {sup 0.29}. While most of the stellar mass is clearly assembling at large radii, the mass surface density profiles reveal ongoing mass growth also in the central regions where bulges and pseudobulges are common features in present day late-type galaxies. Some portion of this growth in the central regions is due to star formation as recent observations of Hα maps for SFGs at z ∼ 1 are found to be extended but centrally peaked. Connecting our lookback study with galactic archeology, we find the stellar mass surface density at R = 8 kpc to have increased by a factor of ∼2 since z ∼ 1, in good agreement with measurements derived for the solar neighborhood of the Milky Way.

  4. Electrochemical behaviour and structure of rust formed on Si- and Al-bearing steel after atmospheric exposure

    Energy Technology Data Exchange (ETDEWEB)

    Nishimura, T., E-mail: nishimura.toshiyasu@nims.go.j [National Institute for Materials Science (NIMS), 1-2-1 Sengen, Tsukuba, Ibaraki 305-0047 (Japan)

    2010-11-15

    Research highlights: {yields} The nano structure of the rust was shown by TEM-EELS {yields} The electrochemistry rusted steel was demonstrated by EIS {yields} The nano complex oxides containing Si and Al in inner rust increased the corrosion resistance - Abstract: The corrosion resistance of Si- and Al-bearing steel was estimated by atmospheric exposure test, and the structure of the rust was examined by EPMA (electroprobe X-ray microanalysis) and TEM (transmission electron microscopy) analysis. Moreover, the electrochemical behaviour of rust was investigated by EIS (electrochemical impedance spectroscopy). The Si- and Al-bearing steel exhibited excellent corrosion resistance in the exposure test as compared with carbon steel (SM). EPMA and TEM analysis showed that Si and Al mainly existed in nanoscale iron complex oxides in the inner rust formed on this steel. The Al K spectrum of the rust exhibited a peak that was the same as that of Al{sub 2}O{sub 3} in the EPMA and TEM-EELS (electron energy loss spectroscopy) analysis. This result suggests that Al was present in the complex oxides as Al{sup 3+}. In the same way, Si was identified as being in an intermediate state in the complex oxides of the inner rust. EIS measurement of the exposure test samples revealed much higher rust resistance (R{sub rust}) and corrosion reaction resistance (R{sub t}) of Si- and Al-bearing steel compared to that of SM. Finally, it was found that nanoscale complex iron oxides formed in the inner rust of Si- and Al-bearing steel, resulting in increased R{sub rust} and R{sub t}, and corrosion suppression.

  5. Recognition of the Different Structural Forms of the Capsid Protein Determines the Outcome following Infection with Porcine Circovirus Type 2

    Science.gov (United States)

    Trible, Benjamin R.; Suddith, Andrew W.; Kerrigan, Maureen A.; Cino-Ozuna, Ada G.; Hesse, Richard A.

    2012-01-01

    Porcine circovirus type 2 (PCV2) capsid protein (CP) is the only protein necessary for the formation of the virion capsid, and recombinant CP spontaneously forms virus-like particles (VLPs). Located within a single CP subunit is an immunodominant epitope consisting of residues 169 to 180 [CP(169–180)], which is exposed on the surface of the subunit, but, in the structural context of the VLP, the epitope is buried and inaccessible to antibody. High levels of anti-CP(169–180) activity are associated with porcine circovirus-associated disease (PCVAD). The purpose of this study was to investigate the role of the immune response to monomer CP in the development of PCVAD. The approach was to immunize pigs with CP monomer, followed by challenge with PCV2 and porcine reproductive and respiratory syndrome virus (PRRSV). To maintain the CP immunogen as a stable monomer, CP(43–233) was fused to ubiquitin (Ub-CP). Size exclusion chromatography showed that Ub-CP was present as a single 33-kDa protein. Pigs immunized with Ub-CP developed a strong antibody response to PCV2, including antibodies against CP(169–180). However, only low levels of virus neutralizing activity were detected, and viremia levels were similar to those of nonimmunized pigs. As a positive control, immunization with baculovirus-expressed CP (Bac-CP) resulted in high levels of virus neutralizing activity, small amounts of anti-CP(169–180) activity, and the absence of viremia in pigs following virus challenge. The data support the role of CP(169–180) as an immunological decoy and illustrate the importance of the structural form of the CP immunogen in determining the outcome following infection. PMID:23035215

  6. Analysis of sulfidic linkages formed in natural rubber latex medical gloves by using X-ray absorption near edge structure

    Science.gov (United States)

    Chankrachang, M.; Limphirat, W.; Yongyingsakthavorn, P.; Nontakaew, U.; Tohsan, A.

    2017-09-01

    A study of sulfidic linkages formed in natural rubber (NR) latex medical gloves by using X-ray Absorption Near Edge Structure (XANES) is presented in this paper. The NR latex compound was prepared by using prevulcanization method, that is, it was prevulcanized at room temperature for 24 hrs before utilization. After the 24 hrs of prevulcanization, the latex film samples were obtained by dipping process. The dipped films were subjected to vulcanize at 110°C for 5 to 25 min. It was observed that after the compound was prevulcanized for 24 hrs, polysulfidic linkages were mainly formed in the sample. It was however found that after curing at 110°C for 5-25 min, the polysulfidic linkages are tended to change into disulfide linkages. Especially, in the case of 25 minutes cured sample, disulfide linkages are found to be the main linkages. In term of tensile strength, it was observed that when cure time increased from 5 - 10 min, tensile strengths were also increased. But when the cure time of the film is 25 minutes, tensile strength was slightly dropped. The dropped of tensile strength when cure time is longer than 10 minutes can be ascribed to a degradation of polysulfidic and disulfidic linkages during curing. Therefore, by using XANES analysis, it was found to be very useful to understand the cure characteristic, thus it can be very helpful to optimize cure time and tensile properties of the product.

  7. A forming-free bipolar resistive switching behavior based on ITO/V2O5/ITO structure

    Science.gov (United States)

    Wan, Zhenni; Darling, Robert B.; Majumdar, Arka; Anantram, M. P.

    2017-07-01

    Forming-free bipolar resistive switching behavior in an ITO/V2O5/ITO structure is observed. While the bottom ITO layer functions as a common ground electrode, the top ITO layer is an active element and used as an oxygen reservoir, with an additional metal electrode patterned on its top for making contact. In contrast to typical metal/transition metal oxide/metal based resistive memories, our device exhibits a low resistance state in its virgin state and is switched to a high resistance state when a forward bias of ˜+2.5 V is applied. The device can be reset to its original state at a reverse bias of ˜-1.5 V. A noticeable decrease in switching voltage with a reduced top contact area is observed, indicating a strong electric field enhanced switching mechanism. Different from the widely seen conductive filament mechanism in bipolar switching, we explain the switching behavior by the migration of oxygen ions at the top ITO/V2O5 interface. When oxygen ions are extracted to the ITO side, an interfacial layer with reduced oxidation states is formed and acts as a Schottky barrier that suppresses the current through the whole device. The results suggest future applications in low power, high speed integrated non-volatile memories.

  8. Structural, physiological, and stable carbon isotopic evidence that the enigmatic Paleozoic fossil Prototaxites formed from rolled liverwort mats.

    Science.gov (United States)

    Graham, Linda E; Cook, Martha E; Hanson, David T; Pigg, Kathleen B; Graham, James M

    2010-02-01

    New structural, nutritional, and stable carbon isotope data may resolve a long-standing mystery-the biological affinities of the fossil Prototaxites, the largest organism on land during the Late Silurian to Late Devonian (420-370 Ma). The tree trunk-shaped specimens, of varying dimensions but consistent tubular anatomy, first formed prior to vascular plant dominance. Hence, Prototaxites has been proposed to represent giant algae, fungi, or lichens, despite incompatible biochemical and anatomical observations. Our comparative analyses instead indicate that Prototaxites formed from partially degraded, wind-, gravity-, or water-rolled mats of mixotrophic liverworts having fungal and cyanobacterial associates, much like the modern liverwort genus Marchantia. We propose that the fossil body is largely derived from abundant, highly degradation-resistant, tubular rhizoids of marchantioid liverworts, intermixed with tubular microbial elements. Our concept explains previously puzzling fossil features and is consistent with evidence for liverworts and microbial associates in Ordovician-Devonian deposits, extensive ancient and modern marchantioid mats, and modern associations of liverworts with cyanobacteria and diverse types of fungi. Our interpretation indicates that liverworts were important components of Devonian ecosystems, that some macrofossils and microfossils previously attributed to "nematophytes" actually represent remains of ancient liverworts, and that mixotrophy and microbial associations were features of early land plants.

  9. Atomic Scale Investigation of Structural Properties and Glass Forming Ability of Ti100-x Al x Metallic Glasses

    Science.gov (United States)

    Tahiri, M.; Hasnaoui, A.; Sbiaai, K.

    2018-03-01

    In this work, we employed molecular dynamics (MD) simulations to study Ti-Al metallic glasses (MGs) using the embedded atom method (EAM) potential to model the atomic interaction with different compositions. The results showed evidence of the metallic glass formation induced by the split occurring in the second peak of the radial distribution function (RDF) curves implying both Ti and Al atoms. The common neighbor analysis (CNA) method confirmed the presence of the icosahedral clusters with a maximum amount observed for an alloy with 75 pct of Al. Analysis of coordination numbers (CNs) indicated that the total CNs are nearly unchanged in these systems. Finally, Voronoi tessellation analyses (VTA) showed a higher value of the number of icosahedral units at Ti25Al75 composition. This specific composition represents a nearby peritectic point localized at a low melting point in the Ti-Al binary phase diagram. The glass forming ability (GFA) becomes important when the fraction of Al increases by forming and connecting "icosahedral-like" clusters (12-coordinated and 13-coordinated ) and by playing a main role in the structure stability of the Ti-Al MGs.

  10. Investigation of Antileishmanial Activities of Acridines Derivatives against Promastigotes and Amastigotes Form of Parasites Using Quantitative Structure Activity Relationship Analysis

    Directory of Open Access Journals (Sweden)

    Samir Chtita

    2016-01-01

    Full Text Available In a search of newer and potent antileishmanial (against promastigotes and amastigotes form of parasites drug, a series of 60 variously substituted acridines derivatives were subjected to a quantitative structure activity relationship (QSAR analysis for studying, interpreting, and predicting activities and designing new compounds by using multiple linear regression and artificial neural network (ANN methods. The used descriptors were computed with Gaussian 03, ACD/ChemSketch, Marvin Sketch, and ChemOffice programs. The QSAR models developed were validated according to the principles set up by the Organisation for Economic Co-operation and Development (OECD. The principal component analysis (PCA has been used to select descriptors that show a high correlation with activities. The univariate partitioning (UP method was used to divide the dataset into training and test sets. The multiple linear regression (MLR method showed a correlation coefficient of 0.850 and 0.814 for antileishmanial activities against promastigotes and amastigotes forms of parasites, respectively. Internal and external validations were used to determine the statistical quality of QSAR of the two MLR models. The artificial neural network (ANN method, considering the relevant descriptors obtained from the MLR, showed a correlation coefficient of 0.933 and 0.918 with 7-3-1 and 6-3-1 ANN models architecture for antileishmanial activities against promastigotes and amastigotes forms of parasites, respectively. The applicability domain of MLR models was investigated using simple and leverage approaches to detect outliers and outsides compounds. The effects of different descriptors in the activities were described and used to study and design new compounds with higher activities compared to the existing ones.

  11. Chiral nucleon-nucleon forces in nuclear structure calculations

    Directory of Open Access Journals (Sweden)

    Coraggio L.

    2016-01-01

    Full Text Available Realistic nuclear potentials, derived within chiral perturbation theory, are a major breakthrough in modern nuclear structure theory, since they provide a direct link between nuclear physics and its underlying theory, namely the QCD. As a matter of fact, chiral potentials are tailored on the low-energy regime of nuclear structure physics, and chiral perturbation theory provides on the same footing two-nucleon forces as well as many-body ones. This feature fits well with modern advances in ab-initio methods and realistic shell-model. Here, we will review recent nuclear structure calculations, based on realistic chiral potentials, for both finite nuclei and infinite nuclear matter.

  12. ANALYSIS MAKAM MUSIC COMPONENTS, CHORD STRUCTURES AND FORM OF NECİL KÂZIM AKSES’ ALLEGRO FEROCE

    Directory of Open Access Journals (Sweden)

    Onur Karabiber

    2016-12-01

    Full Text Available This article aims to find clues via Allegro Feroce that how Necil Kâzım Akses has dealt with the material he has acquired from local music culture in the contemporary art music in his studenthood and how he has taken his own way in composing. In the period when the work was composed, the atmosphere of art and understanding in composing was tried not to be ignored and evidence was sought to support Akses' propensity for local music culture. From this point, the structures of the chords accompanied by the melodies are compared with the references of the components which are related to the makam music. In addition, it has been tried to determine the rhythmic and metric characteristics of the local music culture by taking the structure in terms of form. The findings obtained during the article show that Akses' interest in rhythmic and formal components in the Turkish music tradition, in the folk music and in the classical norms we encountered, started in his studenthood.

  13. Morpho-Structural Effects Caused by 660 nm Laser Diode in Epimastigotes Forms of Trypanosoma cruzi: In Vitro Study

    Science.gov (United States)

    Barbosa, Artur F. S.; Soares, Luiz G. P.; Aciole, Jouber M. S.; Aciole, Gilberth T. S.; Pitta, Ivan R.; Galdino, Suely L.; Pinheiro, Antonio L. B.

    2011-08-01

    Parasitic diseases represent a major public health problems in Latin America, in particular, Chagas disease or American trypanosomiasis, caused by the protozoan parasite Trypanosoma cruzi, infects more than 18 million people in all countries of Latin America. Visible light induces a photochemical reaction, that induces the activation of enzymes used mainly in the respiratory chain, and that light has the primary targets lysosomes and mitochondria of cells, increasing, the mitochondrial ATP production. The purpose of this study was to assess the morpho-structural generated in the epimastigote form of Trypanosoma cruzi, after irradiation with a semiconductor laser InGaAlP, at a wavelength (λ) equal to 660 nm±10 nm, 40 mW optical Power, emitting red light in the visible spectrum, with a dose of 6 J/cm2 in continuous mode. Then the parasites that have undergone irradiation were analyzed by optical microscopy and compared to untreated. It found the increase in size of the kinetoplast (structure with high concentration of extracellular DNA-kDNA, whose main function is to encode the respiratory chain enzymes such as ATPase and citocromoxidase), the cell nucleus and the cell volume of the parasite, leaving the more rounded.

  14. Ducks in space: from nonlinear absolute instability to noise-sustained structures in a pattern-forming system

    Science.gov (United States)

    Avitabile, D.; Desroches, M.; Knobloch, E.; Krupa, M.

    2017-11-01

    A subcritical pattern-forming system with nonlinear advection in a bounded domain is recast as a slow-fast system in space and studied using a combination of geometric singular perturbation theory and numerical continuation. Two types of solutions describing the possible location of stationary fronts are identified, whose origin is traced to the onset of convective and absolute instability when the system is unbounded. The former are present only for non-zero upstream boundary conditions and provide a quantitative understanding of noise-sustained structures in systems of this type. The latter correspond to the onset of a global mode and are present even with zero upstream boundary conditions. The role of canard trajectories in the nonlinear transition between these states is clarified and the stability properties of the resulting spatial structures are determined. Front location in the convective regime is highly sensitive to the upstream boundary condition, and its dependence on this boundary condition is studied using a combination of numerical continuation and Monte Carlo simulations of the partial differential equation. Statistical properties of the system subjected to random or stochastic boundary conditions at the inlet are interpreted using the deterministic slow-fast spatial dynamical system.

  15. Acemetacin cocrystals and salts: structure solution from powder X-ray data and form selection of the piperazine salt

    Directory of Open Access Journals (Sweden)

    Palash Sanphui

    2014-03-01

    Full Text Available Acemetacin (ACM is a non-steroidal anti-inflammatory drug (NSAID, which causes reduced gastric damage compared with indomethacin. However, acemetacin has a tendency to form a less soluble hydrate in the aqueous medium. We noted difficulties in the preparation of cocrystals and salts of acemetacin by mechanochemical methods, because this drug tends to form a hydrate during any kind of solution-based processing. With the objective to discover a solid form of acemetacin that is stable in the aqueous medium, binary adducts were prepared by the melt method to avoid hydration. The coformers/salt formers reported are pyridine carboxamides [nicotinamide (NAM, isonicotinamide (INA, and picolinamide (PAM], caprolactam (CPR, p-aminobenzoic acid (PABA, and piperazine (PPZ. The structures of an ACM–INA cocrystal and a binary adduct ACM–PABA were solved using single-crystal X-ray diffraction. Other ACM cocrystals, ACM–PAM and ACM–CPR, and the piperazine salt ACM–PPZ were solved from high-resolution powder X-ray diffraction data. The ACM–INA cocrystal is sustained by the acid...pyridine heterosynthon and N—H...O catemer hydrogen bonds involving the amide group. The acid...amide heterosynthon is present in the ACM–PAM cocrystal, while ACM–CPR contains carboxamide dimers of caprolactam along with acid–carbonyl (ACM hydrogen bonds. The cocrystals ACM–INA, ACM–PAM and ACM–CPR are three-dimensional isostructural. The carboxyl...carboxyl synthon in ACM–PABA posed difficulty in assigning the position of the H atom, which may indicate proton disorder. In terms of stability, the salts were found to be relatively stable in pH 7 buffer medium over 24 h, but the cocrystals dissociated to give ACM hydrate during the same time period. The ACM–PPZ salt and ACM–nicotinamide cocrystal dissolve five times faster than the stable hydrate form, whereas the ACM–PABA adduct has 2.5 times faster dissolution rate. The pharmaceutically acceptable

  16. Experimental study of structure-forming deformations in ultra-slow spreading Arctic and Polar Atlantic ridges

    Science.gov (United States)

    Dubinin, E. P.; Grokholsky, A. L.; Kokhan, A. V.

    2010-05-01

    unstable relation of slip and extension components. Experimental setting was the following. We emplaced three weak zones according to natural geometry of spreading modeling three neighboring ridges: Knipovich, Mohns, Gakkel. Short spreading segments orthogonal to direction of extension formed in area of Knipovich model zone. They were connected by long slip segments subparallel to extension direction. Under increase of angle between extension direction and trend of "Knipovich" weak zone the length of slip segments gradually decreased and reached minimum under the angle of 50°. The Gakkel ridge is the slowest in all the system of spreading ridges. Spreading velocity is less than 13 mm/year. Spreading is orthogonal here. Areas of volcanism are separated by 100 km long segments with minimal volcanic activity. This volcanic centers form orthogonal rises which has been stable for the last 30 Myr. Also the ridge has practically no discontinuities except the smallest with amplitude less than 13 km. Experiments were held in conditions of orthogonal extension with the smallest velocity. Formation of fractures had a linear pattern. Perpendicular to the ridge lineaments were the basic feature of structure forming. They were inherited from the primary discontinuities of fracture patterns. Thus, experiments let to distinguish key peculiarities of structure-forming in rifting zones of these ridges. For Reikjanes ridge this is a system of s-shaped fractures which are used as channels for eruption and subsequent formation of AVRs. For Knipovich ridge this is an unstable system of pull-aparts. For Gakkel ridge this is a system of linear fractures and stable lineaments perpendicular to the ridge.

  17. Joint Convention on the Safety of Spent Fuel Management and on the Safety of Radioactive Waste Management. Guidelines regarding the Form and Structure of National Reports

    International Nuclear Information System (INIS)

    2006-01-01

    The 'Guidelines regarding the Form and Structure of National Reports' adopted at the Preparatory Meeting of the Contracting Parties to the Joint Convention held from 10 to 12 December 2001 were modified at the Second Review Meeting of the Contracting Parties held from 15 to 24 May 2006. The modified 'Guidelines regarding the Form and Structure of National Reports' are set forth in the Attachment hereto

  18. Cloud Structure of Three Galactic Infrared Dark Star-forming Regions from Combining Ground- and Space-based Bolometric Observations

    Science.gov (United States)

    Lin, Yuxin; Liu, Hauyu Baobab; Dale, James E.; Li, Di; Busquet, Gemma; Zhang, Zhi-Yu; Ginsburg, Adam; Galván-Madrid, Roberto; Kovács, Attila; Koch, Eric; Qian, Lei; Wang, Ke; Longmore, Steve; Chen, Huei-Ru; Walker, Daniel

    2017-05-01

    We have modified the iterative procedure introduced by Lin et al., to systematically combine the submillimeter images taken from ground-based (e.g., CSO, JCMT, APEX) and space (e.g., Herschel, Planck) telescopes. We applied the updated procedure to observations of three well-studied Infrared Dark Clouds (IRDCs): G11.11-0.12, G14.225-0.506, and G28.34+0.06, and then performed single-component, modified blackbody fits to each pixel to derive ˜10″ resolution dust temperature and column density maps. The derived column density maps show that these three IRDCs exhibit complex filamentary structures embedded with rich clumps/cores. We compared the column density probability distribution functions (N-PDFs) and two-point correlation (2PT) functions of the column density field between these IRDCs with several OB-cluster-forming regions. Based on the observed correlation between the luminosity-to-mass ratio and the power-law index of the N-PDF, and complementary hydrodynamical simulations for a 104 {M}⊙ molecular cloud, we hypothesize that cloud evolution can be better characterized by the evolution of the (column) density distribution function and the relative power of dense structures as a function of spatial scales, rather than merely based on the presence of star-forming activity. An important component of our approach is to provide a model-independent quantification of cloud evolution. Based on the small analyzed sample, we propose four evolutionary stages, namely, cloud integration, stellar assembly, cloud pre-dispersal, and dispersed cloud. The initial cloud integration stage and the final dispersed cloud stage may be distinguished from the two intermediate stages by a steeper than -4 power-law index of the N-PDF. The cloud integration stage and the subsequent stellar assembly stage are further distinguished from each other by the larger luminosity-to-mass ratio (>40 {L}⊙ /{M}⊙ ) of the latter. A future large survey of molecular clouds with high angular

  19. Superluminary relativity related to nuclear forces and structures

    International Nuclear Information System (INIS)

    Anastasovski, Petar K.

    1998-01-01

    The new Theory of Superluminary Relativity (SLR) presented and proposed here is based on the superluminary frame of reference transformation and on the modified principles of Special Relativity, General Relativity and Quantum Mass Theory. One of the main concepts of the SLR theory is application of Newton's law of universal gravitation to nuclear structures. The constant in the Newton's gravitational magnitudes for distances and masses characteristic for nuclear structures is defined and determined by the Quantum Mass Theory. The analysis is performed for a nucleus with two nucleons, that is for the deuteron nucleus. On the bases of the principles of Superluminary Relativity a new deuteron nucleus model is offered. (author)

  20. A flagellar A-kinase anchoring protein with two amphipathic helices forms a structural scaffold in the radial spoke complex.

    Science.gov (United States)

    Sivadas, Priyanka; Dienes, Jennifer M; St Maurice, Martin; Meek, William D; Yang, Pinfen

    2012-11-12

    A-kinase anchoring proteins (AKAPs) contain an amphipathic helix (AH) that binds the dimerization and docking (D/D) domain, RIIa, in cAMP-dependent protein kinase A (PKA). Many AKAPs were discovered solely based on the AH-RIIa interaction in vitro. An RIIa or a similar Dpy-30 domain is also present in numerous diverged molecules that are implicated in critical processes as diverse as flagellar beating, membrane trafficking, histone methylation, and stem cell differentiation, yet these molecules remain poorly characterized. Here we demonstrate that an AKAP, RSP3, forms a dimeric structural scaffold in the flagellar radial spoke complex, anchoring through two distinct AHs, the RIIa and Dpy-30 domains, in four non-PKA spoke proteins involved in the assembly and modulation of the complex. Interestingly, one AH can bind both RIIa and Dpy-30 domains in vitro. Thus, AHs and D/D domains constitute a versatile yet potentially promiscuous system for localizing various effector mechanisms. These results greatly expand the current concept about anchoring mechanisms and AKAPs.

  1. Structural and optical properties of Cu-doped ZnS nanoparticles formed in chitosan/sodium alginate multilayer films.

    Science.gov (United States)

    Wang, Liping; Sun, Yujie; Xie, Xiaodong

    2014-05-01

    Chitosan/alginate multilayers were fabricated using a spin-coating method, and ZnS:Cu nanoparticles were generated within the network of two natural polysaccharides, chitosan and sodium alginate. The synthesized nanoparticles were characterized using an X-ray diffractometer (XRD), transmission electron microscopy (TEM), energy dispersive spectroscopy (EDS) and atomic force microscopy (AFM). The results showed that cubic zinc blende-structured ZnS:Cu nanoparticles with an average crystal size of ~ 3 nm were uniformly distributed. UV-vis spectra indicate a large quantum size effect and the absorption edge for the ZnS:Cu nanoparticles slightly shifted to longer wavelengths with increasing Cu ion concentrations. The photoluminescence of the Cu-doped ZnS nanoparticles reached a maximum at a 1% doping level. The ZnS:Cu nanoparticles form and are distributed uniformly in the composite multilayer films with a surface average height of 25 nm. Copyright © 2013 John Wiley & Sons, Ltd.

  2. Water-limiting conditions alter the structure and biofilm-forming ability of bacterial multispecies communities in the alfalfa rhizosphere.

    Directory of Open Access Journals (Sweden)

    Pablo Bogino

    Full Text Available Biofilms are microbial communities that adhere to biotic or abiotic surfaces and are enclosed in a protective matrix of extracellular compounds. An important advantage of the biofilm lifestyle for soil bacteria (rhizobacteria is protection against water deprivation (desiccation or osmotic effect. The rhizosphere is a crucial microhabitat for ecological, interactive, and agricultural production processes. The composition and functions of bacterial biofilms in soil microniches are poorly understood. We studied multibacterial communities established as biofilm-like structures in the rhizosphere of Medicago sativa (alfalfa exposed to 3 experimental conditions of water limitation. The whole biofilm-forming ability (WBFA for rhizospheric communities exposed to desiccation was higher than that of communities exposed to saline or nonstressful conditions. A culture-dependent ribotyping analysis indicated that communities exposed to desiccation or saline conditions were more diverse than those under the nonstressful condition. 16S rRNA gene sequencing of selected strains showed that the rhizospheric communities consisted primarily of members of the Actinobacteria and α- and γ-Proteobacteria, regardless of the water-limiting condition. Our findings contribute to improved understanding of the effects of environmental stress factors on plant-bacteria interaction processes and have potential application to agricultural management practices.

  3. Structural properties of films and rheology of film-forming solutions of chitosan gallate for food packaging.

    Science.gov (United States)

    Wu, Chunhua; Tian, Jinhu; Li, Shan; Wu, Tiantian; Hu, Yaqin; Chen, Shiguo; Sugawara, Tatsuya; Ye, Xingqian

    2016-08-01

    The chitosan gallates (CG) were obtained by free-radical-initiated grafting of gallic acid (GA) onto chitosan (CS) in this work. The chemical structures of the CG were corroborated by UV-vis, GPC and (1)H NMR analysis. The grafting reaction was accompanied with a degradation of the CS molecule. The shear-thinning flow behavior of CG film-forming solutions (CG FFS) decreased with the grafting amount of GA into CS chain, while the CG FFS grafted at a lower GA value behaved like a networks containing entangled or cross-linked polymer chains with a more elastic behavior. The increasing of GA grafting onto the CS chain led to a reduction of tensile strength, elongation at break and water resistance in the corresponding films, but increases in the antioxidant and antimicrobial activities were observed. The microstructure of the film was investigated using scanning electron and atomic force microscope, and the results were closely related to the observed film properties. Copyright © 2016 Elsevier Ltd. All rights reserved.

  4. Quantum chemical studies on molecular structural conformations and hydrated forms of salicylamide and O-hydroxybenzoyl cyanide

    Science.gov (United States)

    Anandan, K.; Kolandaivel, P.; Kumaresan, R.

    Ab initio and density functional theory (DFT) methods have been employed to study the molecular structural conformations and hydrated forms of both salicylamide (SAM) and O-hydroxybenzoyl cyanide (OHBC). Molecular geometries and energetics have been obtained in the gaseous phase by employing the Møller-Plesset type 2 MP2/6-311G(2d,2p) and B3LYP/6-311G(2d,2p) levels of theory. The presence of an electron-releasing group (SAM) leads to an increase in the energy of the molecular system, while the presence of an electron-withdrawing group (OHBC) drastically decreases the energy. Chemical reactivity parameters (η and μ) have been calculated using the energy values of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) obtained at the Hartree-Fock (HF)/6-311G(2d,2p) level of theory for all the conformers and the principle of maximum hardness (MHP) has been tested. The condensed Fukui functions have been calculated using the atomic charges obtained through the natural bond orbital (NBO) analysis scheme for all the optimized structures at the B3LYP/6-311G(2d,2p) level of theory, and the most reactive sites of the molecules have been identified. Nuclear magnetic resonance (NMR) studies have been carried out at the B3LYP/6-311G(2d,2p) level of theory for all the conformers in the gaseous phase on the basis of the method of Cheeseman and coworkers. The calculated chemical shift values have been used to discuss the delocalization activity of the electron clouds. The dimeric structures of the most stable conformers of both SAM and OHBC in the gaseous phase have been optimized at the B3LYP/6-311G(2d,2p) level of theory, and the interaction energies have been calculated. The most stable conformers of both compounds bear an intramolecular hydrogen bond, which gives rise to the formation of a pseudo-aromatic ring. These conformers have been allowed to interact with the water molecule. Special emphasis has been given to analysis of the

  5. Annual research review: phenotypic and causal structure of conduct disorder in the broader context of prevalent forms of psychopathology.

    Science.gov (United States)

    Lahey, Benjamin B; Waldman, Irwin D

    2012-05-01

    A better understanding of the nature and etiology of conduct disorder (CD) can inform nosology and vice versa. We posit that any prevalent form of psychopathology, including CD, can be best understood if it is studied in the context of other correlated forms of child and adolescent psychopathology using formal models to guide inquiry. Review of both cross-sectional and longitudinal studies of the place of CD in the phenotypic and causal structure of prevalent psychopathology, with an emphasis on similarities and differences between CD and oppositional defiant disorder (ODD). Papers were located using Web of Science by topic searches with no restriction on year of publication. Although some important nosologic questions remain unanswered, the dimensional phenotype of CD is well defined. CD differs from other disorders in its correlates, associated impairment, and course. Nonetheless, it is robustly correlated with many other prevalent dimensions of psychopathology both concurrently and predictively, including both other 'externalizing' disorders and some 'internalizing' disorders. Based on emerging evidence, we hypothesize that these concurrent and predictive correlations result primarily from widespread genetic pleiotropy, with some genetic factors nonspecifically influencing risk for multiple correlated dimensions of psychopathology. In contrast, environmental influences mostly act to differentiate dimensions of psychopathology from one another both concurrently and over time. CD and ODD share half of their genetic influences, but their genetic etiologies are distinct in other ways. Unlike most other dimensions of psychopathology, half of the genetic influences on CD appear to be unique to CD. In contrast, ODD broadly shares nearly all of its genetic influences with other disorders and has little unique genetic variance. Conduct disorder is a relatively distinct syndrome at both phenotypic and etiologic levels, but much is revealed by studying CD in the context of

  6. The comparison of the structures of some cationic forms of clinoptilolite obtained from Manisa-Gordes in Turkey using their XRD spectrums

    International Nuclear Information System (INIS)

    Izci, E.; Orhun, O.

    2000-01-01

    In this study, at room temperature, XRD spectrums of Na, Ca, Li, Pb and natural forms of clinoptilolite, which is a natural zeolite obtained from Manisa-Gordes in Turkey, were taken and compared with each other according to their structures. Firstly, clinoptilolite samples, whose, diameters are smaller than 63 μm, were purified by HCl. Thus, impurities through the channels of clinoptilolite samples, were removed from their structures. Then, the samples washed several times by deionised water and filtered. So, HCl was removed from structures of these samples. Na, Ca, Li, Pb ionic forms of clinoptilolite were prepared by using batch method. XRD apparatus from Rigaku-Rint 2000 series. Comparing of XRD spectrums of these ionic and natural forms of clinoptilolite and finding the variations of their spectrums, what changes in their structures could be, were investigated. (authors)

  7. Use of density functional theory method to calculate structures of neutral carbon clusters Cn (3 ≤ n ≤ 24) and study their variability of structural forms.

    Science.gov (United States)

    Yen, T W; Lai, S K

    2015-02-28

    In this work, we present modifications to the well-known basin hopping (BH) optimization algorithm [D. J. Wales and J. P. Doye, J. Phys. Chem. A 101, 5111 (1997)] by incorporating in it the unique and specific nature of interactions among valence electrons and ions in carbon atoms through calculating the cluster's total energy by the density functional tight-binding (DFTB) theory, using it to find the lowest energy structures of carbon clusters and, from these optimized atomic and electronic structures, studying their varied forms of topological transitions, which include a linear chain, a monocyclic to a polycyclic ring, and a fullerene/cage-like geometry. In this modified BH (MBH) algorithm, we define a spatial volume within which the cluster's lowest energy structure is to be searched, and introduce in addition a cut-and-splice genetic operator to increase the searching performance of the energy minimum than the original BH technique. The present MBH/DFTB algorithm is, therefore, characteristically distinguishable from the original BH technique commonly applied to nonmetallic and metallic clusters, technically more thorough and natural in describing the intricate couplings between valence electrons and ions in a carbon cluster, and thus theoretically sound in putting these two charged components on an equal footing. The proposed modified minimization algorithm should be more appropriate, accurate, and precise in the description of a carbon cluster. We evaluate the present algorithm, its energy-minimum searching in particular, by its optimization robustness. Specifically, we first check the MBH/DFTB technique for two representative carbon clusters of larger size, i.e., C60 and C72 against the popular cut-and-splice approach [D. M. Deaven and K. M. Ho, Phys. Rev. Lett. 75, 288 (1995)] that normally is combined with the genetic algorithm method for finding the cluster's energy minimum, before employing it to investigate carbon clusters in the size range C3-C24

  8. How much structuring is beneficial with regard to examination scores? A prospective study of three forms of active learning.

    Science.gov (United States)

    Reinhardt, Claus H; Rosen, Evelyne N

    2012-09-01

    Many studies have demonstrated a superiority of active learning forms compared with traditional lecture. However, there is still debate as to what degree structuring is necessary with regard to high exam outcomes. Seventy-five students from a premedical school were randomly attributed to an active lecture group, a cooperative group, or a collaborative learning group. The active lecture group received lectures with questions to resolve at the end of the lecture. At the same time, the cooperative group and the collaborative group had to work on a problem and prepare presentations for their answers. The collaborative group worked in a mostly self-directed manner; the cooperative group had to follow a time schedule. For the additional work of preparing the poster presentation, the collaborative and cooperative groups were allowed 50% more working time. In part 1, all groups worked on the citric acid cycle, and in part 2, all groups worked on molecular genetics. Collaborative groups had to work on tasks and prepare presentations for their answers. At the end of each part, all three groups were subjected to the same exam. Additionally, in the collaborative and cooperative groups, the presentations were marked. All evaluations were performed by two independent examiners. Exam results of the active lecture groups were highest. Results of the cooperative group were nonsignificantly lower than the active lecture group and significantly higher than the collaborative group. The presentation quality was nonsignificantly higher in the collaborative group compared with the cooperative group. This study shows that active lecturing produced the highest exam results, which significantly differed from collaborative learning results. The additional elaboration in the cooperative and collaborative learning setting yielded the high presentation quality but apparently could not contribute further to exam scores. Cooperative learning seems to be a good compromise if high exam and

  9. Structural instability and Cu-dependent pro-oxidant activity acquired by the apo form of mutant SOD1 associated with amyotrophic lateral sclerosis.

    Science.gov (United States)

    Kitamura, Furi; Fujimaki, Nobuhiro; Okita, Wakana; Hiramatsu, Hirotsugu; Takeuchi, Hideo

    2011-05-24

    Cu,Zn-superoxide dismutase (SOD1) is a cytosolic antioxidant enzyme, and its mutation has been implicated in amyotrophic lateral sclerosis (ALS), a disease causing a progressive loss of motor neurons. Although the pathogenic mechanism of ALS remains unclear, it is hypothesized that some toxic properties acquired by mutant SOD1 play a role in the development of ALS. We have examined the structural and catalytic properties of an ALS-linked mutant of human SOD1, His43Arg (H43R), which is characterized by rapid disease progression. As revealed by circular dichroism spectroscopy, H43R assumes a stable β-barrel structure in the Cu(2+),Zn(2+)-bound holo form, but its metal-depleted apo form is highly unstable and readily unfolds or misfolds into an irregular structure at physiological temperature. The conformational change occurs as a two-state transition from a nativelike apo form to a denatured apo form with a half-life of ∼0.5 h. At the same time as the denaturation, the apo form of H43R acquires pro-oxidant potential, which is fully expressed in the presence of Cu(2+) and H(2)O(2), as monitored with a fluorogenic probe for detecting pro-oxidant activity. Comparison of d-d absorption bands suggests that the Cu(2+) binding mode of the denatured apo form is different from that of the native holo form. The denatured apo form of H43R is likely to provide non-native Cu(2+) binding sites where the Cu(2+) ion is activated to catalyze harmful oxidation reactions. This study raises the possibility that the structural instability and the resultant Cu-dependent pro-oxidant activity of the apo form of mutant SOD1 may be one of the pathogenic mechanisms of ALS.

  10. Annual Research Review: Phenotypic and Causal Structure of Conduct Disorder in the Broader Context of Prevalent Forms of Psychopathology

    Science.gov (United States)

    Lahey, Benjamin B.; Waldman, Irwin D.

    2012-01-01

    Background: A better understanding of the nature and etiology of conduct disorder (CD) can inform nosology and vice versa. We posit that any prevalent form of psychopathology, including CD, can be best understood if it is studied in the context of other correlated forms of child and adolescent psychopathology using formal models to guide inquiry.…

  11. Emotional Responses to Suicidal Patients: Factor Structure, Construct, and Predictive Validity of the Therapist Response Questionnaire-Suicide Form

    Directory of Open Access Journals (Sweden)

    Shira Barzilay

    2018-04-01

    Full Text Available BackgroundMental health professionals have a pivotal role in suicide prevention. However, they also often have intense emotional responses, or countertransference, during encounters with suicidal patients. Previous studies of the Therapist Response Questionnaire-Suicide Form (TRQ-SF, a brief novel measure aimed at probing a distinct set of suicide-related emotional responses to patients found it to be predictive of near-term suicidal behavior among high suicide-risk inpatients. The purpose of this study was to validate the TRQ-SF in a general outpatient clinic setting.MethodsAdult psychiatric outpatients (N = 346 and their treating mental health professionals (N = 48 completed self-report assessments following their first clinic meeting. Clinician measures included the TRQ-SF, general emotional states and traits, therapeutic alliance, and assessment of patient suicide risk. Patient suicidal outcomes and symptom severity were assessed at intake and one-month follow-up. Following confirmatory factor analysis of the TRQ-SF, factor scores were examined for relationships with clinician and patient measures and suicidal outcomes.ResultsFactor analysis of the TRQ-SF confirmed three dimensions: (1 affiliation, (2 distress, and (3 hope. The three factors also loaded onto a single general factor of negative emotional response toward the patient that demonstrated good internal reliability. The TRQ-SF scores were associated with measures of clinician state anger and anxiety and therapeutic alliance, independently of clinician personality traits after controlling for the state- and patient-specific measures. The total score and three subscales were associated in both concurrent and predictive ways with patient suicidal outcomes, depression severity, and clinicians’ judgment of patient suicide risk, but not with global symptom severity, thus indicating specifically suicide-related responses.ConclusionThe TRQ-SF is a brief and reliable measure with a

  12. Native aggregation as a cause of origin of temporary cellular structures needed for all forms of cellular activity, signaling and transformations

    Directory of Open Access Journals (Sweden)

    Matveev Vladimir V

    2010-06-01

    Full Text Available Abstract According to the hypothesis explored in this paper, native aggregation is genetically controlled (programmed reversible aggregation that occurs when interacting proteins form new temporary structures through highly specific interactions. It is assumed that Anfinsen's dogma may be extended to protein aggregation: composition and amino acid sequence determine not only the secondary and tertiary structure of single protein, but also the structure of protein aggregates (associates. Cell function is considered as a transition between two states (two states model, the resting state and state of activity (this applies to the cell as a whole and to its individual structures. In the resting state, the key proteins are found in the following inactive forms: natively unfolded and globular. When the cell is activated, secondary structures appear in natively unfolded proteins (including unfolded regions in other proteins, and globular proteins begin to melt and their secondary structures become available for interaction with the secondary structures of other proteins. These temporary secondary structures provide a means for highly specific interactions between proteins. As a result, native aggregation creates temporary structures necessary for cell activity. "One of the principal objects of theoretical research in any department of knowledge is to find the point of view from which the subject appears in its greatest simplicity." Josiah Willard Gibbs (1839-1903

  13. The institutions forming the socioeconomic structure of Turkish private enterprises between the 13th and the 19th centuries

    Directory of Open Access Journals (Sweden)

    Mehmet Özbirecikli

    2015-04-01

    principios éticos de la vida empresarial, en esencia, son los mismos. Dentro de este contexto, nos atrevemos a sugerir que las raíces del código ético de la vida empresarial turca se retrotraen en la historia a hace más de 800 años. Además, la similitud entre el funcionamiento presente y pasado indica que el origen de la formación de los aprendices para las empresas turcas tiene, igualmente, más de 800 años de historia.This study investigates three institutions forming the socioeconomic structure of Turkish private enterprises between the 13th and 19th Centuries: Akhism (13th-16th century, the Lonca System (the Guilds (16th-18th century, and the Gedik (Monopoly System (18th-20th century. The study particularly focuses on the social and economic rules, vocational training process, and organizational structure of the said institutions in order to discuss the effects of the socioeconomic structure of Turkish enterprises on economic and social development of private enterprises. The study also struggles to link between the relevant current applications and the applications in the past such as the social rules and vocational training. From economic point of view, both the statist structure of the State and the economic rules of the institutions herein caused private enterprises to remain small, and prevented them from having a competitive environment and having capital accumulation. As a result, enterprises could not benefit from new production techniques and the Turkish enterprise mentality fell behind modern developments On the other hand, although these three systems were completely abolished in the early 20th Century, it is seen that especially traces of the Akhism and Lonca systems have still been surviving. Both the most of rules of Akhism and some of the duties of the board of directors of Lonca such as keeping moral standards of production and trade remind us of professional code of ethics of today's modern business life. In other saying, there was code of

  14. The fundamental structural factor in determining the glass-forming ability and mechanical behavior in the Cu-Zr metallic glasses

    Energy Technology Data Exchange (ETDEWEB)

    Sha, Z.D., E-mail: shaz@ihpc.a-star.edu.sg [Institute of High Performance Computing, 1 Fusionopolis Way, Singapore 138632 (Singapore); Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Feng, Y.P. [Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542 (Singapore); Li, Y. [Department of Materials Science and Engineering, National University of Singapore, Engineering Drive 1, Singapore 117576 (Singapore)

    2011-05-16

    Research highlights: {yields} A weak but significant hump in trend of the coordinate number and density was observed, respectively. {yields} Our findings indicate our simulation is more accurate to describe the atomic structure of Cu-Zr MGs. The composition-structure-properties correlation was established. {yields} And the effective structural unit for this correlation is the Cu-centered full icosahedra. - Abstract: Using the large-scale atomic/molecular massively parallel simulator, the quantitative composition-structure-properties (including glass-forming ability (GFA) and mechanical behavior) correlations in the Cu-Zr metallic glasses were established. The atomic-level origin of these correlations was tracked down. It was found that the Cu-centered full icosahedron is the microscopic factor that fundamentally influences both GFA and mechanical behavior. Our findings have implications for understanding the nature, forming ability and properties of metallic glasses, and for searching novel metallic glasses with unique functional properties.

  15. The fundamental structural factor in determining the glass-forming ability and mechanical behavior in the Cu-Zr metallic glasses

    International Nuclear Information System (INIS)

    Sha, Z.D.; Feng, Y.P.; Li, Y.

    2011-01-01

    Research highlights: → A weak but significant hump in trend of the coordinate number and density was observed, respectively. → Our findings indicate our simulation is more accurate to describe the atomic structure of Cu-Zr MGs. The composition-structure-properties correlation was established. → And the effective structural unit for this correlation is the Cu-centered full icosahedra. - Abstract: Using the large-scale atomic/molecular massively parallel simulator, the quantitative composition-structure-properties (including glass-forming ability (GFA) and mechanical behavior) correlations in the Cu-Zr metallic glasses were established. The atomic-level origin of these correlations was tracked down. It was found that the Cu-centered full icosahedron is the microscopic factor that fundamentally influences both GFA and mechanical behavior. Our findings have implications for understanding the nature, forming ability and properties of metallic glasses, and for searching novel metallic glasses with unique functional properties.

  16. Nuclear hormone receptor architecture - form and dynamics: The 2009 FASEB Summer Conference on Dynamic Structure of the Nuclear Hormone Receptors.

    Science.gov (United States)

    McEwan, Iain J; Nardulli, Ann M

    2009-12-31

    Nuclear hormone receptors (NHRs) represent a large and diverse family of ligand-activated transcription factors involved in regulating development, metabolic homeostasis, salt balance and reproductive health. The ligands for these receptors are typically small hydrophobic molecules such as steroid hormones, thyroid hormone, vitamin D3 and fatty acid derivatives. The first NHR structural information appeared approximately 20 years ago with the solution and crystal structures of the DNA binding domains and was followed by the structure of the agonist and antagonist bound ligand binding domains of different NHR members. Interestingly, in addition to these defined structural features, it has become clear that NHRs also possess significant structural plasticity. Thus, the dynamic structure of the NHRs was the topic of a recent stimulating and informative FASEB Summer Research Conference held in Vermont.

  17. Solid State Structures of Alkali Metal Ion Complexes Formed by Low-Molecular-Weight Ligands of Biological Relevance.

    Science.gov (United States)

    Aoki, Katsuyuki; Murayama, Kazutaka; Hu, Ning-Hai

    2016-01-01

    This chapter provides structural data, mainly metal binding sites/modes, observed in crystal structures of alkali metal ion complexes containing low-molecular-weight ligands of biological relevance, mostly obtained from the Cambridge Structural Database (the CSD version 5.35 updated to February 2014). These ligands include (i) amino acids and small peptides, (ii) nucleic acid constituents (excluding quadruplexes and other oligonucleotides), (iii) simple carbohydrates, and (iv) naturally occurring antibiotic ionophores. For some representative complexes of these ligands, some details on the environment of the metal coordination and structural characteristics are described.

  18. SOME RESULTS ON A GENERALIZED SASAKIAN-SPACE-FORM ADMITTING TRANS-SASAKIAN STRUCTURE WITH RESPECT TO A GENERALIZED TANAKA WEBSTER OKUMURA CONNECTION

    Directory of Open Access Journals (Sweden)

    ALI AKBAR

    2015-11-01

    Full Text Available The object of the present paper is to study generalized Sasakian-spaceforms admitting trans-Sasakian structure with respect to a generalized Tanaka Webster Okumura connection. Locally \\phi-symmetric as well as \\eta- recurrent generalized Sasakian space- forms admitting trans-Sasakian structure with respect to a generalized Tanaka Webster Okumura connection have also been studied in the present paper.

  19. Crystal Structure, Vibrational Spectroscopy and ab Initio Density Functional Theory Calculations on the Ionic Liquid forming 1,1,3,3-Tetramethylguanidinium bis{(trifluoromethyl)sulfonyl}amide

    DEFF Research Database (Denmark)

    Berg, Rolf W.; Riisager, Anders; Nguyen van Buu, Olivier

    2009-01-01

    The salt 1,1,3,3-tetramethylguanidinium bis{(trifluoromethyl)sulfonyl}amide, [((CH3)(2)N)(2)C=NH2](+)[N(SO2-CF3)(2)](-) or [tmgH][NTf2], easily forms an ionic liquid with high SO2 absorbing capacity. The crystal structure of the salt was determined at 120(2) K by X-ray diffraction. The structure...

  20. Crystal structure of the compounds formed in the systems of Sm-(Pd, Pt)-(Si, Ge) at 20 at.%Sm and 870K

    International Nuclear Information System (INIS)

    Barakatova, Zh.M.; Seropegin, Yu.D.; Bodak, O.I.; Belan, B.D.

    1995-01-01

    Formation of two new compounds at component interaction in Sm(Pd-Pt) -(Si, Ge) ternary structures is determined under 20at.%Sm and 870 K and their crystalline structure is studied. Formation of three new intermetallic compounds is determined and occurrence of SmPd 2 Si compound is proved within Sm-Pd-Si system. Formation of five compounds is determined within Sm-Pt-Si system; periods of crystalline lattice and structure type are determined for Sm 2 Pt 3 Si 5 , S, PtSi 3 structure. Minimal amount of compounds was detected in Sm-Pd-Ge system. Periods of crystalline structure and structure type are determined for two compounds formed in the studied isoconcentrate. 4 refs.; 2 figs

  1. DFT calculation of geometrical structure and electronic absorption spectra for neutral, mono-, and diprotonated forms of Risperidone (Risperdal)

    Science.gov (United States)

    Alparone, A.

    2012-09-01

    Vertical electronic transitions to singlet valence states of an antipsychotic drug, Risperidone (Risperdal), in its neutral, mono-, and diprotonated forms have been calculated within the time-dependent density functional theory using the PBE0 hybrid functional with the 6-31+G* basis set. The results of the computations show that the lowest-energy allowed π-π* electronic excitation is affected by protonation effects, the spectral shifts of this transition being potentially useful to individuate the different forms of risperidone

  2. Areas and forms of regional cooperation in multi-structured (matreshka-style) regions (Tyumen region, Russia)

    OpenAIRE

    LARIONOV ANDREY V.

    2015-01-01

    The problem of the administrative, economic and social sustainability of a group consisting of neighboring regions with close ties has no clear solution yet. Should closely-tied regions in the long run form a centralized system of administrative bodies, compress their budgets into one, and construct unified social programs, or not? To answer this question, in the article we describe a case that represents the paramount form of cooperation amongst closely-tied regions. It is the case of the so...

  3. Rubber pad forming - Efficient approach for the manufacturing of complex structured sheet metal blanks for food industry

    Science.gov (United States)

    Spoelstra, Paul; Djakow, Eugen; Homberg, Werner

    2017-10-01

    The production of complex organic shapes in sheet metals is gaining more importance in the food industry due to increasing functional and hygienic demands. Hence it is necessary to produce parts with complex geometries promoting cleanability and general sanitation leading to improvement of food safety. In this context, and especially when stainless steel has to be formed into highly complex geometries while maintaining desired surface properties, it is inevitable that alternative manufacturing processes will need to be used which meet these requirements. Rubber pad forming offers high potential when it comes to shaping complex parts with excellent surface quality, with virtually no tool marks and scratches. Especially in cases where only small series are to be produced, rubber pad forming processes offers both technological and economic advantages. Due to the flexible punch, variation in metal thickness can be used with the same forming tool. The investments to set-up Rubber pad forming is low in comparison to conventional sheet metal forming processes. The process facilitates production of shallow sheet metal parts with complex contours and bends. Different bending sequences in a multiple tool set-up can also be conducted. The planned contribution thus describes a brief overview of the rubber pad technology. It shows the prototype rubber pad forming machine which can be used to perform complex part geometries made from stainless steel (1.4301). Based on an analysis of the already existing systems and new machines for rubber pad forming processes, together with their process properties, influencing variables and areas of application, some relevant parts for the food industry are presented.

  4. An Analysis of Density and Degree-Centrality According to the Social Networking Structure Formed in an Online Learning Environment

    Science.gov (United States)

    Ergün, Esin; Usluel, Yasemin Koçak

    2016-01-01

    In this study, we assessed the communication structure in an educational online learning environment using social network analysis (SNA). The communication structure was examined with respect to time, and instructor's participation. The course was implemented using ELGG, a network learning environment, blended with face-to-face sessions over a…

  5. Design and fabrication of topologically optimized structures; an integral approach, a close coupling form generation and fabrication

    NARCIS (Netherlands)

    Feringa, J.; Sondergaard, A.

    2012-01-01

    Integral structural optimization and fabrication seeks the synthesis of two original approaches; that of topological optimization (TO) and robotic hotwire cutting (HWC) (Mcgee 2011). TO allows for the reduction of up to 70% of the volume of concrete to support a given structure (Sondergaard &

  6. Structure of the Mature Streptococcal Cysteine Protease Exotoxin mSpeB in Its Active Dimeric Form

    DEFF Research Database (Denmark)

    Olsen, Johan G; Dagil, Robert; Niclasen, Louise Meinert

    2009-01-01

    Invasive infections of Streptococcus pyogenes are dependent on the cysteine protease streptococcal pyrogenic exotoxin B. Previous structures of the enzyme have not disclosed the proper active-site configuration. Here, the crystal structure of the mature enzyme is presented to 1.55 A, disclosing...

  7. Acidic pH triggers conformational changes at the NH2-terminal propeptide of the precursor of pulmonary surfactant protein B to form a coiled coil structure.

    Science.gov (United States)

    Bañares-Hidalgo, A; Pérez-Gil, J; Estrada, P

    2014-07-01

    Pulmonary surfactant protein SP-B is synthesized as a larger precursor, proSP-B. We report that a recombinant form of human SP-BN forms a coiled coil structure at acidic pH. The protonation of a residue with pK=4.8±0.06 is the responsible of conformational changes detected by circular dichroism and intrinsic fluorescence emission. Sedimentation velocity analysis showed protein oligomerisation at any pH condition, with an enrichment of the species compatible with a tetramer at acidic pH. Low 2,2,2,-trifluoroethanol concentration promoted β-sheet structures in SP-BN, which bind Thioflavin T, at acidic pH, whereas it promoted coiled coil structures at neutral pH. The amino acid stretch predicted to form β-sheet parallel association in SP-BN overlaps with the sequence predicted by several programs to form coiled coil structure. A synthetic peptide ((60)W-E(85)) designed from the sequence of the amino acid stretch of SP-BN predicted to form coiled coil structure showed random coil conformation at neutral pH but concentration-dependent helical structure at acidic pH. Sedimentation velocity analysis of the peptide indicated monomeric state at neutral pH (s20, w=0.55S; Mr~3kDa) and peptide association (s20, w=1.735S; Mr=~14kDa) at acidic pH, with sedimentation equilibrium fitting to a Monomer-Nmer-Mmer model with N=6 and M=4 (Mr=14692Da). We propose that protein oligomerisation through coiled-coil motifs could then be a general feature in the assembly of functional units in saposin-like proteins in general and in the organization of SP-B in a functional surfactant, in particular. Copyright © 2014 Elsevier B.V. All rights reserved.

  8. The Psychometric Properties and Factor Structure of a Welsh Translation of the School Short Form of the Coopersmith Self-Esteem Inventory

    Science.gov (United States)

    Hills, Peter R.; Francis, Leslie J.; Thomas, Enlli

    2007-01-01

    The psychometric properties and factor structure of a Welsh translation of the school short form of the Coopersmith Self-esteem Inventory (SEI-SSF), which is widely used as a measure of children's global self-esteem, was investigated among a sample of 681 pupils attending Welsh-medium primary schools in Wales. It has generally been assumed that…

  9. Crystal structures of the reduced, sulfenic acid, and mixed disulfide forms of SarZ, a redox active global regulator in Staphylococcus aureus.

    Science.gov (United States)

    Poor, Catherine B; Chen, Peng R; Duguid, Erica; Rice, Phoebe A; He, Chuan

    2009-08-28

    SarZ is a global transcriptional regulator that uses a single cysteine residue, Cys(13), to sense peroxide stress and control metabolic switching and virulence in Staphylococcus aureus. SarZ belongs to the single-cysteine class of OhrR-MgrA proteins that play key roles in oxidative resistance and virulence regulation in various bacteria. We present the crystal structures of the reduced form, sulfenic acid form, and mixed disulfide form of SarZ. Both the sulfenic acid and mixed disulfide forms are structurally characterized for the first time for this class of proteins. The Cys(13) sulfenic acid modification is stabilized through two hydrogen bonds with surrounding residues, and the overall DNA-binding conformation is retained. A further reaction of the Cys(13) sulfenic acid with an external thiol leads to formation of a mixed disulfide bond, which results in an allosteric change in the DNA-binding domains, disrupting DNA binding. Thus, the crystal structures of SarZ in three different states provide molecular level pictures delineating the mechanism by which this class of redox active regulators undergoes activation. These structures help to understand redox-mediated virulence regulation in S. aureus and activation of the MarR family proteins in general.

  10. A comparative study on the interaction of phenazinium dyes with low pH induced protonated structure and B-form structure of naturally occurring deoxyribonucleic acid

    International Nuclear Information System (INIS)

    Pradhan, Ankur Bikash; Das, Shubhajit; Haque, Lucy; Bhuiya, Sutanwi; Das, Suman

    2016-01-01

    The interaction of two phenazinium dyes namely Phenosafranine (PSF) and Safranin T (ST) with right-handed B-form and left-handed protonated form of Calf Thymus (CT) DNA was investigated using different spectroscopic techniques. Both the dyes have been shown to bind strongly to the right-handed B-form of DNA by the mechanism intercalation as revealed from fluorescence quenching, circular dichroism (CD) and viscosity measurement. From circular dichroic studies it was evidenced that both of them convert the low pH induced left-handed protonated form of DNA back to the bound right-handed form. Scatchard analysis showed that both the dyes bound strongly to B-form of DNA in a non-cooperative manner. In case of protonated form, there was sequential conversion of the polynucleotide from left-handed to the bound right-handed conformation. Our results suggest that the binding environment of the dyes in the two forms of DNA is similar and our data predict that PSF is more effective in the conversion than ST. Experimental data enabled the calculation of the number of base pairs of protonated-form that adopted a right-handed conformation for each bound dye. Our data revealed that PSF is more effective in the conversion compard to that of ST. These results are attributed to greater steric crowd in ST compared to PSF which restricts the former to intercalate between DNA base pairs. The results of these studies allow a better understanding of dye-polymorphic nucleic acid interactions at a molecular level.

  11. Influence of MgO containing strontium on the structure of ceramic film formed on grain oriented silicon steel surface

    Directory of Open Access Journals (Sweden)

    Daniela C. Leite Vasconcelos

    1999-07-01

    Full Text Available The oxide layer formed on the surface of a grain oriented silicon steel was characterized by SEM and EDS. 3% Si steel substrates were coated by two types of slurries: one formed by MgO and water and other formed by MgO, water and SrSO4. The ceramic films were evaluated by SEM, EDS and X-ray diffraction. Depth profiles of Fe, Si and Mg were obtained by GDS. The magnetic core losses (at 1.7 Tesla, 60 Hz of the coated steel samples were evaluated as well. The use of MgO containing strontium reduced the volume fraction of forsterite particles beneath the outermost ceramic layer. It was observed a reduced magnetic core loss with the use of the slurry with MgO containing strontium.

  12. Towards Prediction Of Crystal Structure Of Al-Rich Intermetallides Formed In Al-T-A Systems

    International Nuclear Information System (INIS)

    Bram, Avraham I.; Meshic, Louisa; Ilse Katz institute for nanotechnology, Ben Gurion University of the Negev; Venkert, Arie

    2014-01-01

    Crystal structure of the material has a significant contribution on its properties. However, there is no universal model that can predict precisely the crystallographic structure of a stable material at specific composition and temperature. Since the 1950's, various prediction approaches were developed and yielded many different methods of computer simulation and innovative theories which are summarized in the review of Woodley et al. These methods are based on complicated calculations of quantum sizes

  13. Comparison of the structure of human recombinant short form stromelysin by multidimensional heteronuclear NMR and X-ray crystallography.

    Science.gov (United States)

    Gooley, P R; O'Connell, J F; Marcy, A I; Cuca, G C; Axel, M G; Caldwell, C G; Hagmann, W K; Becker, J W

    1996-01-01

    Stromelysin-1 is a matrix metalloprotease that has been implicated in a number of degenerative diseases. Here we present the refined NMR solution structure of the catalytic domain of stromelysin-1 complexed with a small inhibitor and compare it to the X-ray crystal structure of the same complex. The structures are similar in global fold and show an unusual bottomless S1' subsite. There are differences, however, in the least well defined regions, Phe83-Ile89, His224-Phe232 and Pro249- Pro250, reflecting the lack of NOE data and large B-factors. The region His224-Phe232 contains residues of the S1' subsite and, consequently, small differences are observed in this subsite. Hydrogen-bond data show that, in contrast to the crystal structure, the solution structure lacks a hydrogen bond between the amide of Tyr223 and the carbonyl of the P3' residue. Analysis of bound water shows two tightly bound water molecules both in the solution and the crystal structure; neither of these waters are in the inhibitor binding site.

  14. Structural and Thermal Characterization of Zolpidem Hemitartrate Hemihydrate (Form E) and Its Decomposition Products by Laboratory X-Ray Powder Diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Halasz, I.; Dinnebier, R

    2010-01-01

    The crystal structure of zolpidem hemitartrate hemihydrate (I, Form E) has been solved from high-resolution laboratory powder diffraction data. It crystallizes in the orthorhombic P2{sub 1}2{sub 1}2{sub 1} space group with a = 22.4664(6) {angstrom}, b = 26.0420(7) {angstrom}, and c = 7.4391(1) {angstrom}. Protonation of zolpidem molecules could not be unambiguously determined. Thermal stability of Form E has been investigated by TG-DTA and in situ by temperature resolved X-ray powder diffraction. Water loss occurs between 50 C {le} t {le} 100 C while structure decomposition commences at approximately 120 C yielding zolpidem tartrate (II) and pure zolpidem base (III) in approximately equimolar amounts. Crystal structures of II and III have been solved simultaneously from a single powder pattern of thermally decomposed I. Zolpidem tartrate crystallizes in the orthorhombic P2{sub 1}2{sub 1}2{sub 1} space group with a = 19.9278(8) {angstrom}, b = 15.1345(8) {angstrom}, and c = 7.6246(2) {angstrom} (at 140 C). Zolpidem base crystallizes in the orthorhombic Pcab space group with a = 9.9296(4) {angstrom}, b = 18.4412(9) {angstrom}, and c = 18.6807(9) {angstrom} (at 140 C). In the reported crystal structures zolpidem molecules form stacks through {pi}-{pi} interaction or dipole-dipole interactions while tartrate moieties, if present, form hydrogen bonded chains. Water molecule in I forms a hydrogen bond to the imidazole nitrogen atom of the zolpidem molecule. Free space in the crystal structure of I could allow for the additional water molecules and thus a variable water content.

  15. Structure and development of somatic embryos formed in Arabidopsis thaliana pt mutant callus cultures derived from seedlings

    NARCIS (Netherlands)

    Recklinghausen, von I.R.; Iwanowska, A.; Kieft, H.; Mordhorst, A.P.; Schel, J.H.N.; Lammeren, van A.A.M.

    2000-01-01

    Seeds of the Arabidopsis thaliana mutant primordia timing (pt) were germinated in 2,4-dichlorophenoxyacetic acid- containing liquid medium. The seedlings formed somatic embryos and nonembryogenic and embryogenic callus in vitro in a time period of approximately two to three weeks. Embryogenesis and

  16. Structure-based design of a disulfide-linked oligomeric form of the simian virus 40 (SV40) large T antigen DNA-binding domain

    International Nuclear Information System (INIS)

    Meinke, Gretchen; Phelan, Paul; Fradet-Turcotte, Amélie; Archambault, Jacques; Bullock, Peter A.

    2011-01-01

    With the aim of forming the ‘lock-washer’ conformation of the origin-binding domain of SV40 large T antigen in solution, using structure-based analysis an intermolecular disulfide bridge was engineered into the origin-binding domain to generate higher order oligomers in solution. The 1.7 Å resolution structure shows that the mutant forms a spiral in the crystal and has the de novo disulfide bond at the protein interface, although structural rearrangements at the interface are observed relative to the wild type. The modular multifunctional protein large T antigen (T-ag) from simian virus 40 orchestrates many of the events needed for replication of the viral double-stranded DNA genome. This protein assembles into single and double hexamers on specific DNA sequences located at the origin of replication. This complicated process begins when the origin-binding domain of large T antigen (T-ag ODB) binds the GAGGC sequences in the central region (site II) of the viral origin of replication. While many of the functions of purified T-ag OBD can be studied in isolation, it is primarily monomeric in solution and cannot assemble into hexamers. To overcome this limitation, the possibility of engineering intermolecular disulfide bonds in the origin-binding domain which could oligomerize in solution was investigated. A recent crystal structure of the wild-type T-ag OBD showed that this domain forms a left-handed spiral in the crystal with six subunits per turn. Therefore, we analyzed the protein interface of this structure and identified two residues that could potentially support an intermolecular disulfide bond if changed to cysteines. SDS–PAGE analysis established that the mutant T-ag OBD formed higher oligomeric products in a redox-dependent manner. In addition, the 1.7 Å resolution crystal structure of the engineered disulfide-linked T-ag OBD is reported, which establishes that oligomerization took place in the expected manner

  17. High-Resolution Structure of a Self-Assembly-Competent Form of a Hydrophobic Peptide Captured in a Soluble [beta]-Sheet Scaffold

    Energy Technology Data Exchange (ETDEWEB)

    Makabe, Koki; Biancalana, Matthew; Yan, Shude; Tereshko, Valentina; Gawlak, Grzegorz; Miller-Auer, Hélène; Meredith, Stephen C.; Koide, Shohei (UC)

    2010-02-08

    {beta}-Rich self-assembly is a major structural class of polypeptides, but still little is known about its atomic structures and biophysical properties. Major impediments for structural and biophysical studies of peptide self-assemblies include their insolubility and heterogeneous composition. We have developed a model system, termed peptide self-assembly mimic (PSAM), based on the single-layer {beta}-sheet of Borrelia outer surface protein A. PSAM allows for the capture of a defined number of self-assembly-like peptide repeats within a water-soluble protein, making structural and energetic studies possible. In this work, we extend our PSAM approach to a highly hydrophobic peptide sequence. We show that a penta-Ile peptide (Ile{sub 5}), which is insoluble and forms {beta}-rich self-assemblies in aqueous solution, can be captured within the PSAM scaffold in a form capable of self-assembly. The 1.1-{angstrom} crystal structure revealed that the Ile{sub 5} stretch forms a highly regular {beta}-strand within this flat {beta}-sheet. Self-assembly models built with multiple copies of the crystal structure of the Ile5 peptide segment showed no steric conflict, indicating that this conformation represents an assembly-competent form. The PSAM retained high conformational stability, suggesting that the flat {beta}-strand of the Ile{sub 5} stretch primed for self-assembly is a low-energy conformation of the Ile{sub 5} stretch and rationalizing its high propensity for self-assembly. The ability of the PSAM to 'solubilize' an otherwise insoluble peptide stretch suggests the potential of the PSAM approach to the characterization of self-assembling peptides.

  18. Parametric study of self-forming ZnO Nanowall network with honeycomb structure by Pulsed Laser Deposition

    KAUST Repository

    El Zein, B.

    2014-02-01

    The successful synthesis of catalyst free zinc oxide (ZnO) Nanowall networks with honeycomb like structure by Pulsed Laser Deposition (PLD) is demonstrated in this paper. The synthesis was conducted directly on Silicon (Si) (1 0 0) and Glass-ITO substrates without the intermediate of metal catalyst, template or chemical etching. Kinetic of growth and effects of gas pressure and substrate temperature were studied by depositing ZnO films on P type Si (1 0 0) substrates with different deposition parameters. The optimized growth parameters were found as: 10 mTorr oxygen pressure, 600 C substrate temperature, and deposition duration equal or higher than 10 min. X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and Photoluminescence (PL) measurements were used to investigate structural, microstructural and optical properties of ZnO Nanowall networks produced. They exhibit a non-uniform size high quality honeycomb structure with low deep level defects. © 2013 Elsevier B.V.

  19. Estimation of Length and Order of Polynomial-based Filter Implemented in the Form of Farrow Structure

    Directory of Open Access Journals (Sweden)

    S. Vukotic

    2016-08-01

    Full Text Available Digital polynomial-based interpolation filters implemented using the Farrow structure are used in Digital Signal Processing (DSP to calculate the signal between its discrete samples. The two basic design parameters for these filters are number of polynomial-segments defining the finite length of impulse response, and order of polynomials in each polynomial segment. The complexity of the implementation structure and the frequency domain performance depend on these two parameters. This contribution presents estimation formulae for length and polynomial order of polynomial-based filters for various types of requirements including attenuation in stopband, width of transitions band, deviation in passband, weighting in passband/stopband.

  20. Flavor structure of the nucleon electromagnetic form factors and transverse charge densities in the chiral quark-soliton model

    Science.gov (United States)

    Silva, António; Urbano, Diana; Kim, Hyun-Chul

    2018-02-01

    We investigate the flavor decomposition of the electromagnetic form factors of the nucleon, based on the chiral quark-soliton model (χQSM) with symmetry-conserving quantization. We consider the rotational 1/N_c and linear strange-quark mass (ms) corrections. We discuss the results of the flavor-decomposed electromagnetic form factors in comparison with the recent experimental data. In order to see the effects of the strange quark, we compare the SU(3) results with those of SU(2). Finally, we discuss the transverse charge densities for both unpolarized and polarized nucleons. The transverse charge density inside a neutron turns out to be negative in the vicinity of the center within the SU(3) χQSM, which can be explained by the contribution of the strange quark.

  1. A pile-up phenomenon during arsenic diffusion in silicon-on-insulator structures formed by oxygen implantation

    Science.gov (United States)

    Normand, P.; Tsoukalas, D.; Guillemot, N.; Chenevier, P.

    1989-10-01

    Arsenic diffusion in silicon-on-insulator formed by deep oxygen implantation is studied by secondary ion mass spectroscopy and speading resistance measurements. An enhanced diffusivity as well as a pile-up phenomenon are observed in the thin silicon layer. The McNabb and Foster equations [Trans. TMS-AIME 22, 618 (1963)] for diffusion with trapping are solved in order to simulate this last effect.

  2. The Legal Structure of Commercial Banks and Financial Regulation : does organizational form matter for the design of bank regulation?

    OpenAIRE

    Cedeno-Brea, Enmanuel

    2017-01-01

    markdownabstractDo the different ways that commercial banks are legally organized matter for the design of financial regulation? It is often assumed that most commercial banks are setup as investor owned business corporations. However, this is not always the case In many jurisdictions, banks are legally organized using a plethora of organizational forms, which include: co-operatives, mutual associations and even nonprofit entities. Thus, some of the distinctive legal attributes and features o...

  3. Structural Biology of DNA (6-4 Photoproducts Formed by Ultraviolet Radiation and Interactions with Their Binding Proteins

    Directory of Open Access Journals (Sweden)

    Hideshi Yokoyama

    2014-11-01

    Full Text Available Exposure to the ultraviolet component of sunlight causes DNA damage, which subsequently leads to mutations, cellular transformation, and cell death. DNA photoproducts with (6-4 pyrimidine-pyrimidone adducts are more mutagenic than cyclobutane pyrimidine dimers. These lesions must be repaired because of the high mutagenic potential of (6-4 photoproducts. We here reviewed the structures of (6-4 photoproducts, particularly the detailed structures of the (6-4 lesion and (6-4 lesion-containing double-stranded DNA. We also focused on interactions with their binding proteins such as antibody Fabs, (6-4 photolyase, and nucleotide excision repair protein. The (6-4 photoproducts that bound to these proteins had common structural features: The 5'-side thymine and 3'-side pyrimidone bases of the T(6-4T segment were in half-chair and planar conformations, respectively, and both bases were positioned nearly perpendicularly to each other. Interactions with binding proteins showed that the DNA helices flanking the T(6-4T segment were largely kinked, and the flipped-out T(6-4T segment was recognized by these proteins. These proteins had distinctive binding-site structures that were appropriate for their functions.

  4. Size-dependent structure of CdSe nanoclusters formed after ion implantation in MgO

    NARCIS (Netherlands)

    van Huis, MA; van Veen, A; Schut, H; Eijt, SWH; Kooi, BJ; De Hosson, JTM

    The band gap as well as the optical and structural properties of semiconductor CdSe nanoclusters change as a function of the nanocluster size. Embedded CdSe nanoclusters in MgO were created by means of sequential Cd and Se ion implantation followed by thermal annealing. Changes during annealing were

  5. The structure formed by inverted repeats in p53 response elements determines the transactivation activity of p53 protein

    Czech Academy of Sciences Publication Activity Database

    Brázda, Václav; Čechová, Jana; Battistin, M.; Coufal, Jan; Jagelská, Eva; Raimondi, I.; Inga, A.

    2017-01-01

    Roč. 483, č. 1 (2017), s. 516-521 ISSN 0006-291X R&D Projects: GA ČR GA15-21855S Institutional support: RVO:68081707 Keywords : tumor-suppressor p53 * cruciform structures * dna-conformation Subject RIV: CE - Biochemistry OBOR OECD: Biochemistry and molecular biology Impact factor: 2.466, year: 2016

  6. Elucidating an Amorphous Form Stabilization Mechanism for Tenapanor Hydrochloride: Crystal Structure Analysis Using X-ray Diffraction, NMR Crystallography, and Molecular Modeling.

    Science.gov (United States)

    Nilsson Lill, Sten O; Widdifield, Cory M; Pettersen, Anna; Svensk Ankarberg, Anna; Lindkvist, Maria; Aldred, Peter; Gracin, Sandra; Shankland, Norman; Shankland, Kenneth; Schantz, Staffan; Emsley, Lyndon

    2018-03-12

    By the combined use of powder and single-crystal X-ray diffraction, solid-state NMR, and molecular modeling, the crystal structures of two systems containing the unusually large tenapanor drug molecule have been determined: the free form, ANHY, and a dihydrochloride salt form, 2HCl. Dynamic nuclear polarization (DNP) assisted solid-state NMR (SSNMR) crystallography investigations were found essential for the final assignment and were used to validate the crystal structure of ANHY. From a structural informatics analysis of ANHY and 2HCl, conformational ring differences in one part of the molecule were observed which influence the relative orientation of a methyl group on a ring nitrogen and thereby impact the crystallizability of the dihydrochloride salt. From quantum chemistry calculations, the dynamics between different ring conformations in tenapanor is predicted to be fast. Addition of HCl to tenapanor results in general in a mixture of protonated ring conformers and hence a statistical mix of diastereoisomers which builds up the amorphous form, a-2HCl. This was qualitatively verified by 13 C CP/MAS NMR investigations of the amorphous form. Thus, to form any significant amount of the crystalline material 2HCl, which originates from the minor (i.e., energetically less stable) ring conformations, one needs to involve nitrogen deprotonation to allow exchange between the minor and major conformations of ANHY in solution. Thus, by controlling the solution pH value to well below the p K a of ANHY, the equilibrium between ANHY and 2HCl can be controlled and by this mechanism the crystallization of 2HCl can be avoided and the amorphous form of the dichloride salt can therefore be stabilized.

  7. Influence of university network structures on forming the network environment of regional economy (on the example of national research universities of Tatarstan Republic

    Directory of Open Access Journals (Sweden)

    Darya-Anna Alekseevna Kaibiyainen

    2015-03-01

    Full Text Available Objective to elaborate theoretical and applied aspects of the processes of forming the new network institutional environment of the Russian regional economy under the influence of the developing integral educational network structures basing on the study of the experience of national research universities of Tatarstan Republic Methods general scientific logical methods of analysis and synthesis induction and deduction scientific abstraction as well as the method of systemicfunctional analysis. Results the practical examples are revealed and analyzed of introducing the new network integral principles into the functioning of national research universities which have a real economic effect and influencing such indicators of regional economy as the growth of employment reduction of unemployment etc. Scientific novelty problems of network structures development in the Russian education have not been thoroughly studied yet. The article analyzes the experience reveals and describes the methods and techniques of forming the network educational structures in the functioning of national research universities in Tatarstan Republic Practical value the author shows the ability of network university structures not only to play a significant role forming the new institutional environment of the regional economy but also to influence the macro and microeconomic indicators of development of the region and the country. nbsp

  8. A novel capsule-like structure of micro-sized particles formed by phytosterol ester and γ-cyclodextrin in water.

    Science.gov (United States)

    Sasako, Hiroshi; Kihara, Fukashi; Koyama, Kazuo; Higashi, Kenjirou; Yamamoto, Keiji; Moribe, Kunikazu

    2016-11-01

    The composite material formed by phytosterol ester (PSE) and γ-cyclodextrin (γ-CD) disperses readily in water and has been used to mask undesirable flavours. This paper elucidates the structure of the PSE/γ-CD particle. Cryogenic scanning electron microscopy and contact angle measurements showed that the PSE/γ-CD particles formed a capsule-like structure with a hydrophilic surface. A phase-solubility study using cholesteryl oleate (ChO), one of the components of PSE, showed that ChO formed a hydrophilic and stoichiometric inclusion complex with γ-CD at a molar ratio of 2:5. The structure of the PSE/γ-CD inclusion complex was similar to that of ChO/γ-CD, based on differential scanning calorimetry and powder X-ray diffractometry results. Thus, we propose that the PSE/γ-CD particle has a capsule-like structure wherein a hydrophobic PSE droplet is surrounded by an outer layer of the hydrophilic PSE/γ-CD inclusion complex. Copyright © 2016 Elsevier Ltd. All rights reserved.

  9. Micro-scale truss structures with three-fold and six-fold symmetry formed from self-propagating polymer waveguides

    International Nuclear Information System (INIS)

    Jacobsen, Alan J.; Barvosa-Carter, William; Nutt, Steven

    2008-01-01

    A process for interconnecting a three-dimensional pattern of self-propagating polymer waveguides was used to form micro-truss structures with two new unit cell architectures. The structures were formed using a two-dimensional mask with a hexagonal pattern of apertures. Distinct unit cell architectures were possible by exposing the mask to a different number of incident UV exposure beams, which are used to form the waveguides. One unit cell design featured three intersecting waveguides per node, resulting in a structure with three-fold symmetry. The second unit cell design had six-fold symmetry and was characterized by primary nodes with six intersecting waveguides and secondary nodes with two intersecting waveguides. Compression loading experiments were conducted on micro-truss samples with comparable relative density values (ρ/ρ s = 6.5%), but different unit cell architectures. The addition of secondary nodes in the structures based on the second design led to an increase in compressive modulus of up to 70% and an average increase in peak strength of 42%. The increase in compressive strength and modulus was attributed to a reduction in the truss-member slenderness ratio achieved through increased waveguide connectivity

  10. Influence of shear layers on the structure of shocks formed by rectangular and parabolic blockages placed in a subsonic flow-field

    Science.gov (United States)

    Cheeda, V. K.; Kumar, A.; Ramamurthi, K.

    2014-03-01

    Flow blockages are used to promote the transition of a flame to a detonation. The structure of shock waves formed with different configurations of blockages was experimentally determined for subsonic incoming flow. High speed subsonic flows could develop ahead of a turbulent flame and the interaction of such flows with blockages could lead to the formation of interacting shock waves, slipstreams, and expansion waves. A blow-down test setup was designed to study the interacting shock pattern formed with different configurations of blockages. The flow was found to accelerate to low supersonic velocities during its passage over the blockages. The shock structure downstream of the blockages was found to depend on the shape, size, and number of blockages as well as the spacing between them. While a parabolic-shaped blockage provided shocks of maximum strength, large blockage ratio values did not permit the formation of shocks. The shear layer, formed in the flow downstream of the blockages, reflected the expansion fan as shock waves and was found to be a major feature influencing the formation of the interacting structure of oblique shocks. The structure and strength of the shock waves are analyzed using hodograms. The formation of the interacting family of shock waves using different configurations of blockages and the spacings between them are discussed.

  11. Nucleon electromagnetic structure studies in the spacelike and timelike regions

    Energy Technology Data Exchange (ETDEWEB)

    Guttmann, Julia

    2013-07-23

    cross section measurements as well as asymmetries, which allow a direct access of the two-photon exchange contribution, is discussed. Furthermore, one of the factorization approaches is applied for investigating the two-boson exchange effects in parity-violating electron-proton scattering. In the last part of the underlying work, the process p anti p→π{sup 0}e{sup +}e{sup -} is analyzed with the aim of determining the form factors in the so-called unphysical, timelike region below the two-nucleon production threshold. For this purpose, a phenomenological model is used, which provides a good description of the available data of the real photoproduction process p anti p→>π{sup 0}γ.

  12. Radiocarbon dating and wiggle matching of wooden poles forming circular structures in the 1st Millennium BC at the Mawaki archaeological site, central Japan

    Energy Technology Data Exchange (ETDEWEB)

    Nishimoto, Hiroshi, E-mail: momo@nendai.nagoya-u.ac.j [Graduate School of Environmental Studies, Nagoya University, Nagoya Aichi 464-8602 (Japan); Nakamura, Toshio [Noto-Town Board of Education, Mawaki Noto-cho, Ishikawa 927-0562 (Japan); Takada, Hideki [Center for Chronological Research, Nagoya University, Nagoya Aichi 464-8602 (Japan)

    2010-04-15

    Wooden circular structures, presumed archaeologically as a structure related with ritual of ancient people in the Final Jomon period, are specific to archaeological sites excavated mainly in the coastal region around Noto peninsula, central Japan. So far, only few attempts have been made at chronological studies on these wooden structures. {sup 14}C dating has been attempted to wooden poles forming the structures, which had been excavated at the Mawaki archaeological site, Ishikawa prefecture, central Japan, to examine construction period of the structures. It was revealed that these structures were constructed in the Final Jomon period, most probably within 900-400 cal BC. In addition, we have tried wiggle matching of {sup 14}C ages for several annual rings separated from three and two poles that were constituting two circular structures, the oldest and the newest ones. {sup 14}C dates of annual rings measured with AMS were wiggle-matched to IntCal04 data sets by Bayesian statistics. The results indicated that the construction period of these wooden structures can be placed within ca. 820-680 cal BC, being narrowed by about 350 calendar years successfully.

  13. Radiocarbon dating and wiggle matching of wooden poles forming circular structures in the 1st Millennium BC at the Mawaki archaeological site, central Japan

    International Nuclear Information System (INIS)

    Nishimoto, Hiroshi; Nakamura, Toshio; Takada, Hideki

    2010-01-01

    Wooden circular structures, presumed archaeologically as a structure related with ritual of ancient people in the Final Jomon period, are specific to archaeological sites excavated mainly in the coastal region around Noto peninsula, central Japan. So far, only few attempts have been made at chronological studies on these wooden structures. 14 C dating has been attempted to wooden poles forming the structures, which had been excavated at the Mawaki archaeological site, Ishikawa prefecture, central Japan, to examine construction period of the structures. It was revealed that these structures were constructed in the Final Jomon period, most probably within 900-400 cal BC. In addition, we have tried wiggle matching of 14 C ages for several annual rings separated from three and two poles that were constituting two circular structures, the oldest and the newest ones. 14 C dates of annual rings measured with AMS were wiggle-matched to IntCal04 data sets by Bayesian statistics. The results indicated that the construction period of these wooden structures can be placed within ca. 820-680 cal BC, being narrowed by about 350 calendar years successfully.

  14. Cross-validation of the structure of a transiently formed and low populated FF domain folding intermediate determined by relaxation dispersion NMR and CS-Rosetta.

    Science.gov (United States)

    Barette, Julia; Velyvis, Algirdas; Religa, Tomasz L; Korzhnev, Dmitry M; Kay, Lewis E

    2012-06-14

    We have recently reported the atomic resolution structure of a low populated and transiently formed on-pathway folding intermediate of the FF domain from human HYPA/FBP11 [Korzhnev, D. M.; Religa, T. L.; Banachewicz, W.; Fersht, A. R.; Kay, L.E. Science 2011, 329, 1312-1316]. The structure was determined on the basis of backbone chemical shift and bond vector orientation restraints of the invisible intermediate state measured using relaxation dispersion nuclear magnetic resonance (NMR) spectroscopy that were subsequently input into the database structure determination program, CS-Rosetta. As a cross-validation of the structure so produced, we present here the solution structure of a mimic of the folding intermediate that is highly populated in solution, obtained from the wild-type domain by mutagenesis that destabilizes the native state. The relaxation dispersion/CS-Rosetta structures of the intermediate are within 2 Å of those of the mimic, with the nonnative interactions in the intermediate also observed in the mimic. This strongly confirms the structure of the FF domain folding intermediate, in particular, and validates the use of relaxation dispersion derived restraints in structural studies of invisible excited states, in general.

  15. Structural relaxation and thermal conductivity of high-pressure formed, high-density di-n-butyl phthalate glass and pressure induced departures from equilibrium state.

    Science.gov (United States)

    Johari, G P; Andersson, Ove

    2017-06-21

    We report a study of structural relaxation of high-density glasses of di-n-butyl phthalate (DBP) by measuring thermal conductivity, κ, under conditions of pressure and temperature (p,T) designed to modify both the vibrational and configurational states of a glass. Various high-density glassy states of DBP were formed by (i) cooling the liquid under a fixed high p and partially depressurizing the glass, (ii) isothermal annealing of the depressurized glass, and (iii) pressurizing the glass formed by cooling the liquid under low p. At a given low p, κ of the glass formed by cooling under high p is higher than that of the glass formed by cooling under low p, and the difference increases as glass formation p is increased. κ of the glass formed under 1 GPa is ∼20% higher at ambient p than κ of the glass formed at ambient p. On heating at low p, κ decreases until the glass to liquid transition range is reached. This is the opposite of the increase in κ observed when a glass formed under a certain p is heated under the same p. At a given high p, κ of the low-density glass formed by cooling at low p is lower than that of the high-density glass formed by cooling at that high p. On heating at high p, κ increases until the glass to liquid transition range is reached. The effects observed are due to a thermally assisted approach toward equilibrium at p different from the glass formation p. In all cases, the density, enthalpy, and entropy would change until the glasses become metastable liquids at a fixed p, thus qualitatively relating κ to variation in these properties.

  16. Boron carbides formed by coevaporation of B and C atoms: Vapor reactivity, BxC1-x composition, and bonding structure

    Science.gov (United States)

    Caretti, I.; Gago, R.; Albella, J. M.; Jiménez, I.

    2008-05-01

    Boron carbides (BxC1-x) in thin film form have been synthesized in a high vacuum by coevaporation of B and C atoms from independent sources, allowing a study of the whole composition range from pure B films to pure C films. The relationship between the impinging B/C atomic fluxes and the film composition has been studied, providing information on the chemical reactivity between the B and C vapors. The composition was determined with x-ray emission energy dispersion spectroscopy and x-ray absorption near edge spectroscopy (XANES). Finally, the bonding structure of the films has been determined by XANES, showing a change from structures based on B12 -icosahedral units for the B-rich samples to hexagonal-like structures for the C-rich samples. The study shows that the structural transition takes place for xtilde 0.5 .

  17. Application of atomic force microscopy to protein anatomy:. Imaging of supramolecular structures of self-assemblies formed from synthetic peptides

    Science.gov (United States)

    Shibata-Seki, T.; Masai, J.; Ogawa, Y.; Sato, K.; Yanagawa, H.

    This paper reports morphological studies of structures of self-assemblies from synthetic peptide fragments with the use of atomic force microscope (AFM) and transmission electron microscope (TEM). Two systems of synthetic peptides have been examined: one is peptides from barnase (a ribonuclease) and the other is those from tau protein (Alzheimer's disease-related protein). The AFM observation was carried out by using a commercially available AFM operated in the tapping mode in air. The general appearance in shape and size of the peptide assemblies in AFM images was essentially similar to that in TEM images, except that the AFM images provide us with fruitful three-dimensional information about the assemblies. For assemblies from barnase peptides, possible formation processes of the supramolecular structures from the corresponding peptide fragment have been proposed on the basis of the AFM images.

  18. Chemical structure, biosynthesis and synthesis of free and glycosylated pyridinolines formed by cross-link of bone and synovium collagen.

    Science.gov (United States)

    Anastasia, Luigi; Rota, Paola; Anastasia, Mario; Allevi, Pietro

    2013-09-21

    This review focuses on the chemical structure, biosynthesis and synthesis of free and glycosylated pyridinolines (Pyds), fluorescent collagen cross-links, with a pyridinium salt structure. Pyds derive from the degradation of bone collagen and have attracted attention for their use as biochemical markers of bone resorption and to assess fracture risk prediction in persons suffering from osteoporosis, bone cancer and other bone or collagen diseases. We consider and critically discuss all reported syntheses of free and glycosylated Pyds evidencing an unrevised chemistry, original and of general utility, analysis of which allows us to also support a previously suggested non-enzymatic formation of Pyds in collagen better rationalizing and justifying the chemical events.

  19. Functional characterization and crystal structure of thermostable amylase from Thermotoga petrophila, reveals high thermostability and an unusual form of dimerization

    DEFF Research Database (Denmark)

    Hameed, Uzma; Price, Ian; Ikram-Ul-Haq

    2017-01-01

    and able to hydrolyze starch into dextrin between 90 and 100°C, with optimum activity at 98°C and pH8.5. The activity increased in the presence of Rb(1+), K(1+) and Ca(2+) ions, whereas other ions inhibited activity. The crystal structure of Tp-AmyS at 1.7Å resolution showed common features of the GH-13...

  20. Crystal structure of the complex of carboxypeptidase A with a strongly bound phosphonate in a new crystalline form: Comparison with structures of other complexes

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hidong; Lipscomb, W.N. (Harvard Univ., Cambridge, MA (USA))

    1990-06-12

    O-(((1R)-((N-(Phenylmethoxycarbonyl)-L-alanyl)amino)ethyl)hydroxyphosphinyl)-L-3-phenyllacetate (ZZA{sup P}(O)F), an analogue of (benzyloxycarbonyl)-Ala-Ala-Phe or (benzyloxycarbonyl)-Ala-Ala-phenyllactate, binds to carboxypeptidase A with great affinity. Similar phosphonates have been shown to be transition-state analogues of the CPA-catalyzed hydrolysis. In the present study, the structure of the complex of phosphonate with carboxypeptidase A has been determined by X-ray crystallography to a resolution of 2.0 {angstrom}. The structure of the complex was solved by molecular replacement. Refinement of the structure against 20,776 unique reflections between 10.0 and 2.0 {angstrom} yields a crystallographic residual of 0.193, including 140 water molecules. The two phosphinyl oxygens of the inhibitor bind to the active-site zinc at 2.2 {angstrom} on the electrophilic (Arg-127) side and 3.1 {angstrom} on the nucleophilic (Glu-270) side. Various features of the binding mode of this phosphonate inhibitor are consistent with the hypothesis that carboxypeptidase A catalyzed hydrolysis proceeds through a general-base mechanism in which the carbonyl carbon of the substrate is attached by Zn-hydroxyl (or Zn-water). This complex structure is compared with previous structures of carboxypeptidase A, including the complexes with the potato inhibitor, a hydrated keto methylene substrate analogue, and a phosphonamidate inhibitor. Comparisons are also made with the complexes of thermolysin with some phosphonamidate inhibitors.

  1. Atomic force microscopy study of the structure function relationships of the biofilm-forming bacterium Streptococcus mutans

    Science.gov (United States)

    Cross, Sarah E.; Kreth, Jens; Zhu, Lin; Qi, Fengxia; Pelling, Andrew E.; Shi, Wenyuan; Gimzewski, James K.

    2006-02-01

    Atomic force microscopy (AFM) has garnered much interest in recent years for its ability to probe the structure, function and cellular nanomechanics inherent to specific biological cells. In particular, we have used AFM to probe the important structure-function relationships of the bacterium Streptococcus mutans. S. mutans is the primary aetiological agent in human dental caries (tooth decay), and is of medical importance due to the virulence properties of these cells in biofilm initiation and formation, leading to increased tolerance to antibiotics. We have used AFM to characterize the unique surface structures of distinct mutants of S. mutans. These mutations are located in specific genes that encode surface proteins, thus using AFM we have resolved characteristic surface features for mutant strains compared to the wild type. Ultimately, our characterization of surface morphology has shown distinct differences in the local properties displayed by various S. mutans strains on the nanoscale, which is imperative for understanding the collective properties of these cells in biofilm formation.

  2. Evidence for the residual tertiary structure in the urea-unfolded form of bacteriophage T5 endolysin.

    Science.gov (United States)

    Kutyshenko, Victor P; Prokhorov, Dmitry A; Mikoulinskaia, Galina V; Molochkov, Nikolai V; Paskevich, Svetlana I; Uversky, Vladimir N

    2017-05-01

    Using high-resolution NMR spectroscopy, we studied peculiarities of the unfolding process of the bacteriophage T5 endolysin (EndoT5) by strong denaturants. It was shown that in the absence of zinc ions this protein is mostly unfolded in the solution of 8 M urea or 6 M guanidine hydrochloride. However, in the presence of zinc ions EndoT5 unfolding can be achieved only in acidic solutions (at pH  4.0 NMR spectra of the metal-bound protein (Zn 2+ -Ca 2+ -EndoT5 or Zn 2+ -EndoT5 complexes) exhibit a few chemical shifts characteristic of the native or native-like proteins. Our data, including the pH-titration curve with the pK of ~5, suggested involvement of the zinc-binding histidines in the stabilization of this protein. Up-field signals that appear in the NMR spectra of apo-EndoT5 in the presence of high concentrations of strong denaturants are probably derived from the amino acid residues included in the formation of structured hydrophobic cluster, which likely corresponds to the 81-93 region of EndoT5 and contains some residual tertiary structure. It is possible also that this hydrophobic fragment serves as a foundation for the formation of structured cluster in the unfolded state.

  3. Mesenchymal stem cells and glioma cells form a structural as well as a functional syncytium in vitro.

    Science.gov (United States)

    Schichor, Christian; Albrecht, Valerie; Korte, Benjamin; Buchner, Alexander; Riesenberg, Rainer; Mysliwietz, Josef; Paron, Igor; Motaln, Helena; Turnšek, Tamara Lah; Jürchott, Kathrin; Selbig, Joachim; Tonn, Joerg-Christian

    2012-03-01

    The interaction of human mesenchymal stem cells (hMSCs) and tumor cells has been investigated in various contexts. HMSCs are considered as cellular treatment vectors based on their capacity to migrate towards a malignant lesion. However, concerns about unpredictable behavior of transplanted hMSCs are accumulating. In malignant gliomas, the recruitment mechanism is driven by glioma-secreted factors which lead to accumulation of both, tissue specific stem cells as well as bone marrow derived hMSCs within the tumor. The aim of the present work was to study specific cellular interactions between hMSCs and glioma cells in vitro. We show, that glioma cells as well as hMSCs differentially express connexins, and that they interact via gap-junctional coupling. Besides this so-called functional syncytium formation, we also provide evidence of cell fusion events (structural syncytium). These complex cellular interactions led to an enhanced migration and altered proliferation of both, tumor and mesenchymal stem cell types in vitro. The presented work shows that glioma cells display signs of functional as well as structural syncytium formation with hMSCs in vitro. The described cellular phenomena provide new insight into the complexity of interaction patterns between tumor cells and host cells. Based on these findings, further studies are warranted to define the impact of a functional or structural syncytium formation on malignant tumors and cell based therapies in vivo. Copyright © 2011 Elsevier Inc. All rights reserved.

  4. Influence of synthesis conditions on the crystal structure of the powder formed in the ZrO2 - Ce2O3/CeO2 system

    International Nuclear Information System (INIS)

    Popov, V V; Menushenkov, A P; Khubbutdinov, R M; Sharapov, A S; Svetogorov, R D; Zubavichus, Ya V; Kurilkin, V V

    2016-01-01

    Influence of synthesis conditions (type of atmosphere, reduction and oxidation, annealing temperature) on the chemical composition and structure of the compounds formed in the “ZrO 2 - Ce 2 O 3 / CeO 2 ” system has been investigated by X-ray absorption fine structure (XAFS) spectroscopy combined with X-ray diffraction (XRD) and thermogravimetric analysis (TGA). It is revealed that isothermal annealing of precursor at temperatures less than 1000 °C in air leads to formation of Ce 0.5 Zr 0.5 O 2 powders with cubic fluorite-type structure (Fm-3m). Further increase of annealing temperatures above 1000 °C causes decomposition of formed crystal structure into two phases: cubic and tetragonal. Annealing in reduction hydrogen atmosphere causes formation of Ce 4 + 2xCe 3 + 2-2xZr 2 O 7 + x compounds with intermediate valency of cerium, where value of x depends on the reducing conditions and treatment parameters of precursor. Annealing in vacuum at 1400 °C strongly reduces the content of Ce 4 + in a powder samples and leads to formation of pyrochlore structure (space group Fd-3 m ) with practically Ce 3+ valence state. (paper)

  5. Crystal structure of Boc-(S)-ABOC-(S)-Ala-(S)-ABOC-(S)-Phe-OBn chloro-form monosolvate.

    Science.gov (United States)

    Wenger, Emmanuel; Moulat, Laure; Legrand, Baptiste; Amblard, Muriel; Calmès, Monique; Didierjean, Claude

    2015-10-01

    In the title compound, phenyl (S)-2-[(S)-(1-{2-[(S)-(1-{[(tert-but-oxy)carbon-yl]amino}-bicyclo-[2.2.2]octan-2-yl)formamido]-propanamido}-bicyclo-[2.2.2]octan-2-yl)formamido]-3-phenyl-propano-ate chloro-form monosolvate, C42H56N4O7·CHCl3, the α,β-hybrid peptide contains two non-proteinogenic amino acid residues of (S)-1-amino-bicyclo-[2.2.2]octane-2-carb-oxy-lic acid [(S)-ABOC], two amino acid residues of (S)-2-amino-propanoic acid [(S)-Ala] and (S)-2-amino-3-phenyl-propanoic acid [(S)-Phe], and protecting groups of tert-but-oxy-carbonyl (Boc) and benzyl ester (OBn). The tetra-mer folds into a right-handed mixed 11/9 helix stabilized by intra-molecular i,i + 3 and i,i - 1 C=O⋯H-N hydrogen bonds. In the crystal, the oligomers are linked by N-H⋯O=C hydrogen bonds into chains along the a-axis direction. The chloro-form solvent mol-ecules are inter-calated between the folded chains via C-H⋯O=C inter-actions.

  6. Estimation Of Young’s Modulus Of Elesticity By The Form Finding Of Grid Shell Structures By The Dynamic Relaxation Method

    Directory of Open Access Journals (Sweden)

    Grančičová Ivana

    2015-12-01

    Full Text Available The paper is basically focused on the process of form finding by the dynamic relaxation method (DRM with the aid of computational tools that enable us to make many calculations with different inputs. There are many important input values with a significant impact on the course of the calculations and the resulting displacement of a structure. One of these values is Young’s modulus of elasticity. This value has a considerable impact on the final displacement of a grid shell structure and the resulting internal forces.

  7. On the Helical Structure of Guanosine 5'-Monophosphate Formed at pH 5: Is It Left- or Right-Handed?

    Science.gov (United States)

    Wu, Gang; Kwan, Irene C M; Yan, Zhimin; Huang, Yining; Ye, Eric

    2017-01-01

    Early X-ray fiber diffraction studies have established that the spontaneous gel formation of guanosine 5'-monophosphate (5'-GMP) under slightly acidic conditions (e.g., pH 5) results from self-assembly of 5'-GMP into a helical structure in which hydrogen-bonded guanine bases form a continuous helix with 15 nucleotides per 4 turns. For more than five decades, the sense of this helix is believed to be left-handed. Using multinuclear solid-state NMR and IR spectroscopic methods, we have finally determined the long-missing structural details of this helix. First, we found that this 5'-GMP helix is right-handed containing exclusive C3'- endo sugar puckers. Second, we showed that the central channel of this helix is free of Na + ions, which is in sharp contrast to the helix formed by 5'-GMP at pH 8 where the central channel is filled with Na + ions.

  8. X-ray structures of the Pseudomonas cichorii D-tagatose 3-epimerase mutant form C66S recognizing deoxy sugars as substrates.

    Science.gov (United States)

    Yoshida, Hiromi; Yoshihara, Akihide; Ishii, Tomohiko; Izumori, Ken; Kamitori, Shigehiro

    2016-12-01

    Pseudomonas cichorii D-tagatose 3-epimerase (PcDTE), which has a broad substrate specificity, efficiently catalyzes the epimerization of not only D-tagatose to D-sorbose but also D-fructose to D-psicose (D-allulose) and also recognizes the deoxy sugars as substrates. In an attempt to elucidate the substrate recognition and catalytic reaction mechanisms of PcDTE for deoxy sugars, the X-ray structures of the PcDTE mutant form with the replacement of Cys66 by Ser (PcDTE_C66S) in complexes with deoxy sugars were determined. These X-ray structures showed that substrate recognition by the enzyme at the 1-, 2-, and 3-positions is responsible for enzymatic activity and that substrate-enzyme interactions at the 4-, 5-, and 6-positions are not essential for the catalytic reaction of the enzyme leading to the broad substrate specificity of PcDTE. They also showed that the epimerization site of 1-deoxy 3-keto D-galactitol is shifted from C3 to C4 and that 1-deoxy sugars may bind to the catalytic site in the inhibitor-binding mode. The hydrophobic groove that acts as an accessible surface for substrate binding is formed through the dimerization of PcDTE. In PcDTE_C66S/deoxy sugar complex structures, bound ligand molecules in both the linear and ring forms were detected in the hydrophobic groove, while bound ligand molecules in the catalytic site were in the linear form. This result suggests that the sugar-ring opening of a substrate may occur in the hydrophobic groove and also that the narrow channel of the passageway to the catalytic site allows a substrate in the linear form to pass through.

  9. The structure of carbon nanotubes formed of graphene layers L4-8, L5-7, L3-12, L4-6-12

    Science.gov (United States)

    Shapovalova, K. E.; Belenkov, E. A.

    2017-11-01

    We geometrically calculate the optimized structure of nanotubes based on the graphene layers, using the method of molecular mechanics MM+. It was found that only the nanotubes, based on the graphene layers L4-8, L5-7, L3-12, L4-6-12, have a cylindrical form. Calculations of the sublimation energy, carried out using the semi-empirical quantum-mechanic method PM3, show that energy increases with the increase of nanotube diameters.

  10. Morphological Studies on the Triatoma brasiliensis Neiva, 1911 (Hemiptera, Reduviidae, Triatominae Genital Structures and Eggs of Different Chromatic Forms

    Directory of Open Access Journals (Sweden)

    Jane Costa

    1997-07-01

    Full Text Available Triatoma brasiliensis is considered one of the most important Chagas disease vectors being a widespread species in semiarid areas of northeastern Brazil. The species displays distinct chromatic patterns of the cuticle in different localities. Four populations were analyzed in this study: 1-Caicó, Rio Grande do Norte, it will be called the brasiliensis population; 2-Espinosa, Minas Gerais, the melanica population; 3-Petrolina, Pernambuco, the macromelasoma population, and 4-Juazeiro, Bahia, the darker one in overall cuticle coloration, the Juazeiro population. In order to differentiate the four populations of T. brasiliensis, a comparative morphological analysis of external genital structures and of eggs were carried out. The analysis of the male genital structures evidenced minor individual structural variations that did not correlate with chromatic differences or the geographical origins, emphasizing the importance of examining sufficiently large and representative samples before using minor genital variations for taxonomic diagnosis. By scanning electron microscopy of the egg exochorion, each chromatic population presented a distinct ornamentation pattern. The melanica population differed mainly from the other populations studied since it had about 40.6%, 69.6% and 76.6% more perforations, on each cell exochorion, than the brasiliensis, the Juazeiro and the macromelasoma populations respectively. In the melanica population the perforation layout is also peculiar, with densely distributed perforations over all the egg surface. Morphometric measures of the eggs showed statistically significant differences: the macromelasoma population presented the longest length (2.43 mm while the shortest was recorded in the brasiliensis population (2.29 mm.

  11. Antimicrobial peptide (Cn-AMP2) from liquid endosperm of Cocos nucifera forms amyloid-like fibrillar structure.

    Science.gov (United States)

    Gour, Shalini; Kaushik, Vibha; Kumar, Vijay; Bhat, Priyanka; Yadav, Subhash C; Yadav, Jay K

    2016-04-01

    Cn-AMP2 is an antimicrobial peptide derived from liquid endosperm of coconut (Cocos nucifera). It consists of 11 amino acid residues and predicted to have high propensity for β-sheet formation that disposes this peptide to be amyloidogenic. In the present study, we have examined the amyloidogenic propensities of Cn-AMP2 in silico and then tested the predictions under in vitro conditions. The in silico study revealed that the peptide possesses high amyloidogenic propensity comparable with Aβ. Upon solubilisation and agitation in aqueous buffer, Cn-AMP2 forms visible aggregates that display bathochromic shift in the Congo red absorbance spectra, strong increase in thioflavin T fluorescence and fibrillar morphology under transmission electron microscopy. All these properties are typical of an amyloid fibril derived from various proteins/peptides including Aβ. Copyright © 2016 European Peptide Society and John Wiley & Sons, Ltd.

  12. Combining 3D printed forms with textile structures - mechanical and geometrical properties of multi-material systems

    Science.gov (United States)

    Sabantina, L.; Kinzel, F.; Ehrmann, A.; Finsterbusch, K.

    2015-07-01

    The 3D printing belongs to the rapidly emerging technologies which have the chance to revolutionize the way products are created. In the textile industry, several designers have already presented creations of shoes, dresses or other garments which could not be produced with common techniques. 3D printing, however, is still far away from being a usual process in textile and clothing production. The main challenge results from the insufficient mechanical properties, especially the low tensile strength, of pure 3D printed products, prohibiting them from replacing common technologies such as weaving or knitting. Thus, one way to the application of 3D printed forms in garments is combining them with textile fabrics, the latter ensuring the necessary tensile strength. This article reports about different approaches to combine 3D printed polymers with different textile materials and fabrics, showing chances and limits of this technique.

  13. Combining 3D printed forms with textile structures - mechanical and geometrical properties of multi-material systems

    International Nuclear Information System (INIS)

    Sabantina, L; Kinzel, F; Ehrmann, A; Finsterbusch, K

    2015-01-01

    The 3D printing belongs to the rapidly emerging technologies which have the chance to revolutionize the way products are created. In the textile industry, several designers have already presented creations of shoes, dresses or other garments which could not be produced with common techniques. 3D printing, however, is still far away from being a usual process in textile and clothing production. The main challenge results from the insufficient mechanical properties, especially the low tensile strength, of pure 3D printed products, prohibiting them from replacing common technologies such as weaving or knitting. Thus, one way to the application of 3D printed forms in garments is combining them with textile fabrics, the latter ensuring the necessary tensile strength. This article reports about different approaches to combine 3D printed polymers with different textile materials and fabrics, showing chances and limits of this technique. (paper)

  14. Dynamics of water around the complex structures formed between the KH domains of far upstream element binding protein and single-stranded DNA molecules

    Energy Technology Data Exchange (ETDEWEB)

    Chakraborty, Kaushik; Bandyopadhyay, Sanjoy, E-mail: sanjoy@chem.iitkgp.ernet.in [Molecular Modeling Laboratory, Department of Chemistry, Indian Institute of Technology, Kharagpur 721302 (India)

    2015-07-28

    Single-stranded DNA (ss-DNA) binding proteins specifically bind to the single-stranded regions of the DNA and protect it from premature annealing, thereby stabilizing the DNA structure. We have carried out atomistic molecular dynamics simulations of the aqueous solutions of two DNA binding K homology (KH) domains (KH3 and KH4) of the far upstream element binding protein complexed with two short ss-DNA segments. Attempts have been made to explore the influence of the formation of such complex structures on the microscopic dynamics and hydrogen bond properties of the interfacial water molecules. It is found that the water molecules involved in bridging the ss-DNA segments and the protein domains form a highly constrained thin layer with extremely retarded mobility. These water molecules play important roles in freezing the conformational oscillations of the ss-DNA oligomers and thereby forming rigid complex structures. Further, it is demonstrated that the effect of complexation on the slow long-time relaxations of hydrogen bonds at the interface is correlated with hindered motions of the surrounding water molecules. Importantly, it is observed that the highly restricted motions of the water molecules bridging the protein and the DNA components in the complexed forms originate from more frequent hydrogen bond reformations.

  15. Growth and Anatomical Parameters of Adventitious Roots Formed on Mung Bean Hypocotyls Are Correlated with Galactoglucomannan Oligosaccharides Structure

    Directory of Open Access Journals (Sweden)

    K. Kollárová

    2012-01-01

    Full Text Available The effect of galactoglucomannan oligosaccharides (GGMOs compared with chemically modified oligosaccharides, GGMOs-g (with reduced number of D-galactose side chains and GGMOs-r (with reduced reducing ends on mung bean (Vigna radiata (L. Wilczek adventitious roots formation, elongation, and anatomical structure have been studied. All types of oligosaccharides influenced adventitious root formation in the same way: stimulation in the absence of exogenous auxin and inhibition in the presence of exogenous auxin. Both reactions are probably related with the presence/content of endogenous auxin in plant cuttings. However, the adventitious root length was inhibited by GGMOs both in the absence as well as in the presence of auxin (IBA or NAA, while GGMOs-g inhibition was significantly weaker compared with GGMOs. GGMOs-r were without significant difference on both processes, compared with GGMOs. GGMOs affected not only the adventitious root length but also their anatomy in dependence on the combination with certain type of auxin. The oligosaccharides influenced cortical cells division, which was reflected in the cortex area and in the root diameter. All processes followed were dependent on oligosaccharides chemical structure. The results suggest also that GGM-derived oligosaccharides may play an important role in adventitious roots elongation but not in their formation.

  16. Structural and electrical properties of different vanadium oxide phases in thin film form synthesized using pulsed laser deposition

    Science.gov (United States)

    Majid, S. S.; Shukla, D. K.; Rahman, F.; Choudhary, R. J.; Phase, D. M.

    2015-06-01

    We present here the structural and electrical properties of the thin films of V2O3 (Vanadium sesquioxide) and V5O9. Both these oxide phases, V2O3 and V5O9, have beenachieved on (001) orientedSi substrate using the V2O5 target by optimizing the deposition parameters using pulsed laser deposition technique (PLD).Deposited films were characterized by X-ray diffraction(XRD)and four probe temperature dependent resistivity measurements. XRD studies reveal the V2O3 and V5O9 phases and the amount of strain present in both these films. The temperature dependency of electrical resistivity confirmed the characteristic metal-insulator transitions (MIT) for both the films, V2O3 and V5O9.

  17. Physical Nature of the Processes in Structure Forming, Phase and Chemical Composition of pipe Permanent Joints when MMA Welding

    Science.gov (United States)

    Il'yaschenko, D. P.; Chinakhov, D. A.; Danilov, V. I.; Sadykov, I. D.

    2016-04-01

    The paper outlines peculiarities of structure formation, phase and chemical composition in regard to heat content in molten electrode metal beads when pipe steel (steel 09G2S) welding using power sources with various energy characteristics. Mathematical calculations indicate an inverter power source provides minor heat content into the bead of electrode metal when welding. Experimental research has pointed at 4-9 % increase in impact strength of joints produced using an inverter power source in comparison with samples produced applying a diode rectifier. The following factors can possibly give rise to the increasing impact strength: difference in microstructures of weld joints, up to 50% shortening ferritic plates in metal of weld joint, change in dimensions of ferritic grains in the heat-affected zone by as much as 17.5 %, and decrease in the extent of heat-affected zone by 50%.

  18. Microbial Community Structure and Arsenic Biogeochemistry in an Acid Vapor-Formed Spring in Tengchong Geothermal Area, China.

    Directory of Open Access Journals (Sweden)

    Zhou Jiang

    Full Text Available Arsenic biogeochemistry has been studied extensively in acid sulfate-chloride hot springs, but not in acid sulfate hot springs with low chloride. In this study, Zhenzhuquan in Tengchong geothermal area, a representative acid sulfate hot spring with low chloride, was chosen to study arsenic geochemistry and microbial community structure using Illumina MiSeq sequencing. Over 0.3 million 16S rRNA sequence reads were obtained from 6-paired parallel water and sediment samples along its outflow channel. Arsenic oxidation occurred in the Zhenxhuquan pool, with distinctly high ratios of arsenate to total dissolved arsenic (0.73-0.86. Coupled with iron and sulfur oxidation along the outflow channel, arsenic accumulated in downstream sediments with concentrations up to 16.44 g/kg and appeared to significantly constrain their microbial community diversity. These oxidations might be correlated with the appearance of some putative functional microbial populations, such as Aquificae and Pseudomonas (arsenic oxidation, Sulfolobus (sulfur and iron oxidation, Metallosphaera and Acidicaldus (iron oxidation. Temperature, total organic carbon and dissolved oxygen significantly shaped the microbial community structure of upstream and downstream samples. In the upstream outflow channel region, most microbial populations were microaerophilic/anaerobic thermophiles and hyperthermophiles, such as Sulfolobus, Nocardia, Fervidicoccus, Delftia, and Ralstonia. In the downstream region, aerobic heterotrophic mesophiles and thermophiles were identified, including Ktedonobacteria, Acidicaldus, Chthonomonas and Sphingobacteria. A total of 72.41-95.91% unassigned-genus sequences were derived from the downstream high arsenic sediments 16S rRNA clone libraries. This study could enable us to achieve an integrated understanding on arsenic biogeochemistry in acid hot springs.

  19. Microbial Community Structure and Arsenic Biogeochemistry in an Acid Vapor-Formed Spring in Tengchong Geothermal Area, China.

    Science.gov (United States)

    Jiang, Zhou; Li, Ping; Jiang, Dawei; Dai, Xinyue; Zhang, Rui; Wang, Yanhong; Wang, Yanxin

    2016-01-01

    Arsenic biogeochemistry has been studied extensively in acid sulfate-chloride hot springs, but not in acid sulfate hot springs with low chloride. In this study, Zhenzhuquan in Tengchong geothermal area, a representative acid sulfate hot spring with low chloride, was chosen to study arsenic geochemistry and microbial community structure using Illumina MiSeq sequencing. Over 0.3 million 16S rRNA sequence reads were obtained from 6-paired parallel water and sediment samples along its outflow channel. Arsenic oxidation occurred in the Zhenxhuquan pool, with distinctly high ratios of arsenate to total dissolved arsenic (0.73-0.86). Coupled with iron and sulfur oxidation along the outflow channel, arsenic accumulated in downstream sediments with concentrations up to 16.44 g/kg and appeared to significantly constrain their microbial community diversity. These oxidations might be correlated with the appearance of some putative functional microbial populations, such as Aquificae and Pseudomonas (arsenic oxidation), Sulfolobus (sulfur and iron oxidation), Metallosphaera and Acidicaldus (iron oxidation). Temperature, total organic carbon and dissolved oxygen significantly shaped the microbial community structure of upstream and downstream samples. In the upstream outflow channel region, most microbial populations were microaerophilic/anaerobic thermophiles and hyperthermophiles, such as Sulfolobus, Nocardia, Fervidicoccus, Delftia, and Ralstonia. In the downstream region, aerobic heterotrophic mesophiles and thermophiles were identified, including Ktedonobacteria, Acidicaldus, Chthonomonas and Sphingobacteria. A total of 72.41-95.91% unassigned-genus sequences were derived from the downstream high arsenic sediments 16S rRNA clone libraries. This study could enable us to achieve an integrated understanding on arsenic biogeochemistry in acid hot springs.

  20. Dynamics of plasma−dust structures formed in a trap created in the narrowing of a current channel in a magnetic field

    Energy Technology Data Exchange (ETDEWEB)

    Dzlieva, E. S., E-mail: plasmadust@yandex.ru; Karasev, V. Yu., E-mail: v.karasev@spbu.ru; Pavlov, S. I. [St. Petersburg State University (Russian Federation)

    2016-02-15

    The geometry and dynamics of plasma−dust structures in a longitudinal magnetic field is studied experimentally. The structures are formed in a glow-discharge trap created in the double electric layer produced as a result of discharge narrowing by means of a dielectric insert introduced in the discharge tube. Studies of structures formed in the new type of glow-discharge trap are of interest from the standpoint of future experiments with complex plasmas in superstrong magnetic fields in which the dust component is magnetized. Different types of dielectric inserts were used: conical and plane ones with symmetric and asymmetric apertures. Conditions for the existence of stable dust structures are determined for dust grains of different density and different dispersity. According to the experimental results, the angular velocity of dust rotation is ≥10 s{sup –1}, which is the fastest type of dust motion for all types of discharges in a magnetic field. The rotation is interpreted by analyzing the dynamics of individual dust grains.

  1. Three-dimensional structure of phosphopantetheine adenylyltransferase from Mycobacterium tuberculosis in the apo form and in complexes with coenzyme A and dephosphocoenzyme A

    International Nuclear Information System (INIS)

    Timofeev, V. I.; Smirnova, E. A.; Chupova, L. A.; Esipov, R. S.; Kuranova, I. P.

    2012-01-01

    Crystals of phosphopantetheine adenylyltransferase (PPAT) from Mycobacterium tuberculosis in the apo form and in complexes with coenzyme A (PPAT/CoA) and dephosphocoenzyme A (PPAT/dPCoA) were grown in microgravity by the capillary counter-diffusion method. The structures of PPAT Mt in the apo form and in complexes with ligands were solved based on the X-ray diffraction data collected from the grown crystals. The crystal structures were refined at 1.76, 1.59, and 1.59 Å resolution to Rf factors of 0.175, 0.159, and 0.157 and Rfree of 0.224, 0.208, and 0.206 for PPAT, PPAT/CoA, and PPAT/dPCoA, respectively. The atomic coordinates of the structures were deposited in the Protein Data Bank (PDB ID: 3RFF, 3RHS, and 3RBA). In these structures, the ligand-binding sites were determined, the environment of these sites was characterized, and the conformational changes accompanying the ligand binding were analyzed.

  2. Characterisation and structure development of Ni64Cu9Fe8P19 glass forming alloy at elevated temperatures

    International Nuclear Information System (INIS)

    Ziewiec, K.; Bryla, K.; Blachowski, A.; Ruebenbauer, K.; Przewoznik, J.

    2007-01-01

    Nickel-copper-iron-phosphorus Ni 64 Cu 9 Fe 8 P 19 alloy was prepared using 99.95 wt.% Ni, 99.95 wt.% Cu, 99.95 wt.% Fe and the Ni-P master alloy. The precursors were melted in the arc furnace under argon gettered protective atmosphere. Then the alloy was induction melted in quartz tubes under vacuum (10 -2 bar) and quenched in water to obtain ingot of 10 mm diameter. The primary microstructure of the ingot was investigated by the use of light microscope. The Ni 64 Cu 9 Fe 8 P 19 alloy was cast using melt spinning. The ribbon in the as cast state was characterised with use of transmission electron microscope (TEM) and X-ray diffraction (XRD). Differential thermal analysis (DTA) of the melt-spun ribbon was made to determine the thermal stability and glass forming ability of the alloy. The pieces of ribbon were heated to different temperatures and annealed during 1 h then characterised with use of the Moessbauer spectroscopy and the X-ray diffraction to see the change of the microstructure after heating to elevated temperatures. It has been found that the devitrification sequence consists of progressive formation of the (Ni, Fe, Cu) 3 P phase and (Ni, Fe, Cu)-FCC phase. The temperature range of the sequence is determined under isochronal conditions

  3. Structural properties of the neutral and monoanionic forms of xanthosine, highly relevant to their substrate properties with various enzyme systems.

    Science.gov (United States)

    Poznanski, Jarosław; Kierdaszuk, Borys; Shugar, David

    2003-03-01

    The monoanions of the 6-oxopurines guanine (Gua) and hypoxanthine (Hx), and their nucleosides, pKa approximately 9 due to dissociation of the N(1)-H, are predominantly in their neutral forms at physiological pH. By contrast, the monoanions of the 6-oxopurine xanthine (Xan) and xanthosine (Xao), were long ago proposed to involve dissociation of the N(3)-H, with pKa values of 7.5 and 5.7, respectively, so that, at physiological pH, the former is mixture of the neutral and monoanionic species, and the latter predominantly the monoanion. We have employed multi-dimensional heteronuclear NMR spectroscopy, which fully confirms the proposed mode of monoanion formation in Xao (and, by implication, in Xan), further supported by the results of ab initio quantum mechanical calculations, and additionally extended to determination of the preferred conformational parameters in solution for the neutral and monoanionic species. These findings are highly relevant to the modes of binding, and to the substrate properties, of Xan, Xao and its 5'-phosphate (XMP) in numerous enzyme systems, hitherto virtually ignored, and illustrated by several concrete examples.

  4. Structural and Morphological Difference Between Ti/TiN/TiCN Coatings Grown in Multilayer and Graded Form

    International Nuclear Information System (INIS)

    Restrepo, E.; Baena, A.; Agudelo, C.; Castillo, H.; Devia, A.; Marino, A.

    2006-01-01

    Thin films can be grown in super-lattice, multilayers and graded form, having each one advantages and disadvantages. The difference between multilayer and graded coatings is the interface. In multilayers the interface is abrupt and in graded coatings it is diffuse. The interface influences many chemical and physical properties of the materials, and its choice depends on the application. Graded coatings have the advantage of having gradual properties such as thermal expansion coefficient and lattice parameter, avoiding adherence problems due to good match between their component materials. In this work the comparison between some properties of coatings grown as multilayer and graded is performed. The materials are produced using the sputtering DC technique because of its facility to control the deposition parameters and generate a slow growth. The target is a disc of titanium and the samples are made of stainless steel 304. The working gases are argon, nitrogen and methane, which are mixed according to the material to be produced, i.e. Ti layer is grown with argon, the TiN film is produced with a mixture of argon and nitrogen, and the TiCN material is obtained mixing argon, nitrogen and methane. These materials are characterized with AFM in order to determine grain size and with XPS studying the chemical composition and performing depth profiles

  5. Crystal structure of the complex of carboxypeptidase A with a strongly bound phosphonate in a new crystalline form: comparison with structures of other complexes.

    Science.gov (United States)

    Kim, H; Lipscomb, W N

    1990-06-12

    O-[[(1R)-[[N-(Phenylmethoxycarbonyl)-L-alanyl]amino]ethyl] hydroxyphosphinyl]-L-3-phenyllacetate [ZAAP(O)F], an analogue of (benzyloxycarbonyl)-Ala-Ala-Phe or (benzyloxycarbonyl)-Ala-Ala-phenyllactate, binds to carboxypeptidase A with great affinity (Ki = 3 pM). Similar phosphonates have been shown to be transition-state analogues of the CPA-catalyzed hydrolysis [Hanson, J. E., Kaplan, A. P., & Bartlett, P. A. (1989) Biochemistry 28, 6294-6305]. In the present study, the structure of the complex of this phosphonate with carboxypeptidase A has been determined by X-ray crystallography to a resolution of 2.0 A. The complex crystallizes in the space group P2(1)2(1)2(1) with cell dimensions a = 61.9 A, b = 67.2 A, and c = 76.2 A. The structure of the complex was solved by molecular replacement. Refinement of the structure against 20,776 unique reflections between 10.0 and 2.0 A yields a crystallographic residual of 0.193, including 140 water molecules. The two phosphinyl oxygens of the inhibitor bind to the active-site zinc at 2.2 A on the electrophilic (Arg-127) side and 3.1 A on the nucleophilic (Glu-270) side. Various features of the binding mode of this phosphonate inhibitor are consistent with the hypothesis that carboxypeptidase A catalyzed hydrolysis proceeds through a general-base mechanism in which the carbonyl carbon of the substrate is attacked by Zn-hydroxyl (or Zn-water). An unexpected feature of the bound inhibitor, the cis carbamoyl ester bond at the benzyloxycarbonyl linkage to alanine, allows the benzyloxycarbonyl phenyl ring of the inhibitor to interact favorably with Tyr-198. This complex structure is compared with previous structures of carboxypeptidase A, including the complexes with the potato inhibitor, a hydrated keto methylene substrate analogue, and a phosphonamidate inhibitor. Comparisons are also made with the complexes of thermolysin with some phosphonamidate inhibitors.

  6. Full-scale experimental and numerical study about structural behaviour of a thin-walled cold-formed steel building affected by ground settlements due to land subsidence

    Directory of Open Access Journals (Sweden)

    J. A. Ortiz

    2015-11-01

    Full Text Available Land subsidence due to ground water withdrawal is a problem in many places around the world (Poland, 1984. This causes differential ground settlements that affect masonry structures, because these structural materials do not exhibit an adequate performance beyond a certain level of angular distortion. This work presents the experimental and numerical results about a study regarding the performance of a full-scale thin-walled cold-formed steel building affected by ground differential settlements due to land subsidence. The experimental stage consisted in the construction of a test-building to be subjected to differential settlements in laboratory. The numerical stage consisted in performing a numerical non-linear static pull-down analysis simulating the differential ground settlements of the test-building. The results show that the structural performance of the tested building was very suitable in terms of ductility.

  7. Characterization of the oxide formed in the presence of poly acrylic acid over the steam generator structural materials of nuclear power plants

    Energy Technology Data Exchange (ETDEWEB)

    Joshi, Akhilesh C.; Rufus, Appadurai L.; Suresh, Sumathi; Chandramohan, Palogi; Rangarajan, Srinivasan [Water and Steam Chemistry Division, BARC Facilities, Kalpakkam, TN 603 102 (India); Velmurugan, Sankaralingam, E-mail: svelu@igcar.gov.in [Water and Steam Chemistry Division, BARC Facilities, Kalpakkam, TN 603 102 (India)

    2013-06-15

    Graphical abstract: Oxide deposited on carbon steel surface exposed to secondary side water chemistry conditions of nuclear power plant in the (a) absence and (b) presence of poly acrylic acid (PAA), a polymeric dispersant. Highlights: ► PAA cannot prevent the formation of inner oxide arising out of corrosion. ► Inner oxide formed in presence of PAA is protective. ► Crystallites formed in the presence of PAA are smaller in size. ► PAA prevents the formation of outer oxide layer arising out of precipitation. -- Abstract: On-line addition of polymeric dispersants, such as poly acrylic acid (PAA), to the steam generator (SG) results in the formation of a better protective inner oxide layer that reduces subsequent corrosion of structural materials. Its dispersive action inhibits the growth of a secondary oxide layer thereby facilitating their easy removal. This paper discusses the effect of PAA on the nature of oxides formed over the surfaces of SG. In the case of carbon steel, the inner oxide layer (magnetite) formed in the presence of PAA was protective. Electrochemical studies showed a minimum concentration of 350 ppb of PAA was found to be optimum. On the monel surface, in the absence of PAA, nickel ferrite was formed while in the presence of PAA, the oxide formed was a mixture of oxides of copper and nickel. A concentration of 700 ppb of PAA was found to be optimum for monel. In the case of incoloy, the effect of PAA was not discernible except for the size and morphology of the crystallites formed.

  8. High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan

    International Nuclear Information System (INIS)

    Otero, José M.; Noël, Ann-Josée; Guardado-Calvo, Pablo; Llamas-Saiz, Antonio L.; Wende, Wolfgang; Schierling, Benno; Pingoud, Alfred; Raaij, Mark J. van

    2012-01-01

    T. thermophilus enoyl-acyl carrier protein reductase was crystallized in the apo form, with NAD + bound and with NAD + and the inhibitor triclosan bound. The structures were solved by molecular replacement and refined at 1.50, 1.86 and 1.90 Å resolution, respectively. The structures are described, analysed and compared with those of enoyl-acyl carrier protein reductases from other species. Enoyl-acyl carrier protein reductase (ENR; the product of the fabI gene) is an important enzyme that is involved in the type II fatty-acid-synthesis pathway of bacteria, plants, apicomplexan protozoa and mitochondria. Harmful pathogens such as Mycobacterium tuberculosis and Plasmodium falciparum use the type II fatty-acid-synthesis system, but not mammals or fungi, which contain a type I fatty-acid-synthesis pathway consisting of one or two multifunctional enzymes. For this reason, specific inhibitors of ENR are attractive antibiotic candidates. Triclosan, a broad-range antibacterial agent, binds to ENR, inhibiting fatty-acid synthesis. As humans do not have an ENR enzyme, they are not affected. Here, high-resolution structures of Thermus thermophilus (Tth) ENR in the apo form, bound to NAD + and bound to NAD + plus triclosan are reported. Differences from and similarities to other known ENR structures are reported; in general, the structures are very similar. The cofactor-binding site is also very similar to those of other ENRs and, as reported for other species, triclosan leads to greater ordering of the loop that covers the cofactor-binding site, which, together with the presence of triclosan itself, presumably provides tight binding of the dinucleotide, preventing cycling of the cofactor. Differences between the structures of Tth ENR and other ENRs are the presence of an additional β-sheet at the N-terminus and a larger number of salt bridges and side-chain hydrogen bonds. These features may be related to the high thermal stability of Tth ENR

  9. Effect of aging on the structure and phosphate retention of Fe(III)-precipitates formed by Fe(II) oxidation in water

    Science.gov (United States)

    Senn, Anna-Caterina; Kaegi, Ralf; Hug, Stephan J.; Hering, Janet G.; Mangold, Stefan; Voegelin, Andreas

    2017-04-01

    Iron(III)-precipitates formed by Fe(II) oxidation in aqueous solutions affect the cycling and impact of Fe and other co-precipitated elements in environmental systems. Fresh Fe(III)-precipitates are metastable and their transformation into more stable phases during aging may result in the release of initially co-precipitated ions. Phosphate, silicate, Mg and Ca play key roles in determining the structure and composition of fresh Fe(III)-precipitates. Here we examine how these ions affect the structure and phosphate retention of Fe(III)-precipitates formed by oxidation of 0.5 mM dissolved Fe(II) at pH 7.0 after aging for 30 days at 40 °C. Iron K-edge X-ray absorption spectroscopy (XAS) shows that aged precipitates consist of the same structural units as fresh precipitates: Amorphous Fe(III)- or Ca-Fe(III)-phosphate, ferrihydrite, and poorly crystalline lepidocrocite. Mg, Ca, and dissolved phosphate stabilize (Ca-)Fe(III)-phosphate against transformation into ferrihydrite. Silicate further attenuates (Ca-)Fe(III)-phosphate transformation. The crystallinity of lepidocrocite formed in phosphate- and silicate-free solutions slightly increases during aging. The transformation of Fe(III)- and Ca-Fe(III)-phosphate into ferrihydrite and ongoing ferrihydrite crystallization during aging result in the release of co-precipitated phosphate. Dissolved Ca on the other hand limits phosphate concentrations to values consistent with solubility control by octacalciumphosphate. Owing to the combined effects of Ca and silicate, phosphate is most effectively retained by Fe(III)-precipitates formed and aged in Ca- and silicate-containing solutions. The results from this study contribute to an improved understanding of the formation and transformation of Fe(III)-precipitates and emphasize that the complexity of Fe(III)-precipitate dynamics in the presence of multiple interfering solutes must be considered when addressing their impact on major and trace elements in environmental systems.

  10. Crystal Structure of a Monomeric Form of Severe Acute Respiratory Syndrome Coronavirus Endonuclease Nsp15 Suggests a Role for Hexamerization As An Allosteric Switch

    Energy Technology Data Exchange (ETDEWEB)

    Joseph, J.S.; Saikatendu, K.S.; Subramanian, V.; Neuman, B.W.; Buchmeier, M.J.; Stevens, R.C.; Kuhn, P.; /Scripps Res. Inst.

    2007-07-09

    Mature nonstructural protein-15 (nsp15) from the severe acute respiratory syndrome coronavirus (SARS-CoV) contains a novel uridylate-specific Mn{sup 2+}-dependent endoribonuclease (NendoU). Structure studies of the full-length form of the obligate hexameric enzyme from two CoVs, SARS-CoV and murine hepatitis virus, and its monomeric homologue, XendoU from Xenopus laevis, combined with mutagenesis studies have implicated several residues in enzymatic activity and the N-terminal domain as the major determinant of hexamerization. However, the tight link between hexamerization and enzyme activity in NendoUs has remained an enigma. Here, we report the structure of a trimmed, monomeric form of SARS-CoV nsp15 (residues 28 to 335) determined to a resolution of 2.9 Angstroms. The catalytic loop (residues 234 to 249) with its two reactive histidines (His 234 and His 249) is dramatically flipped by {approx}120 degrees into the active site cleft. Furthermore, the catalytic nucleophile Lys 289 points in a diametrically opposite direction, a consequence of an outward displacement of the supporting loop (residues 276 to 295). In the full-length hexameric forms, these two loops are packed against each other and are stabilized by intimate intersubunit interactions. Our results support the hypothesis that absence of an adjacent monomer due to deletion of the hexamerization domain is the most likely cause for disruption of the active site, offering a structural basis for why only the hexameric form of this enzyme is active.

  11. FINE-STRUCTURE Fe II* EMISSION AND RESONANT Mg II EMISSION IN z ∼ 1 STAR-FORMING GALAXIES

    International Nuclear Information System (INIS)

    Kornei, Katherine A.; Shapley, Alice E.; Martin, Crystal L.; Coil, Alison L.; Lotz, Jennifer M.; Weiner, Benjamin J.

    2013-01-01

    We present a study of the prevalence, strength, and kinematics of ultraviolet Fe II and Mg II emission lines in 212 star-forming galaxies at z ∼ 1 selected from the DEEP2 survey. We find Fe II* emission in composite spectra assembled on the basis of different galaxy properties, indicating that Fe II* emission is common at z ∼ 1. In these composites, Fe II* emission is observed at roughly the systemic velocity. At z ∼ 1, we find that the strength of Fe II* emission is most strongly modulated by dust attenuation, and is additionally correlated with redshift, star formation rate, and [O II] equivalent width, such that systems at higher redshifts with lower dust levels, lower star formation rates, and larger [O II] equivalent widths show stronger Fe II* emission. We detect Mg II emission in at least 15% of the individual spectra and we find that objects showing stronger Mg II emission have higher specific star formation rates, smaller [O II] linewidths, larger [O II] equivalent widths, lower dust attenuations, and lower stellar masses than the sample as a whole. Mg II emission strength exhibits the strongest correlation with specific star formation rate, although we find evidence that dust attenuation and stellar mass also play roles in the regulation of Mg II emission. Future integral field unit observations of the spatial extent of Fe II* and Mg II emission in galaxies with high specific star formation rates, low dust attenuations, and low stellar masses will be important for probing the morphology of circumgalactic gas

  12. Textured surface structures formed using new techniques on transparent conducting Al-doped zinc oxide films prepared by magnetron sputtering

    International Nuclear Information System (INIS)

    Minami, Tadatsugu; Miyata, Toshihiro; Uozaki, Ryousuke; Sai, Hitoshi; Koida, Takashi

    2016-01-01

    Surface-textured Al-doped ZnO (AZO) films formed using two new techniques based on magnetron sputtering deposition were developed by optimizing the light scattering properties to be suitable for transparent electrode applications in thin-film silicon solar cells. Scrambled egg-like surface-textured AZO films were prepared using a new texture formation technique that post-etched pyramidal surface-textured AZO films prepared under deposition conditions suppressing c-axis orientation. In addition, double surface-textured AZO films were prepared using another new texture formation technique that completely removed, by post-etching, the pyramidal surface-textured AZO films previously prepared onto the initially deposited low resistivity AZO films; simultaneously, the surface of the low resistivity films was slightly etched. However, the obtained very high haze value in the range from the near ultraviolet to visible light in the scrambled egg-like surface-textured AZO films did not contribute significantly to the obtainable photovoltaic properties in the solar cells fabricated using the films. Significant light scattering properties as well as a low sheet resistance could be achieved in the double surface-textured AZO films. In addition, a significant improvement of external quantum efficiency in the range from the near ultraviolet to visible light was achieved in superstrate-type n-i-p μc-Si:H solar cells fabricated using a double surface-textured AZO film prepared under optimized conditions as the transparent electrode. - Highlights: • Double surface-textured AZO films prepared using a new texture formation technique • Extensive light scattering properties with low sheet resistance achieved in the double surface-textured AZO films • Improved external quantum efficiency of μc-Si:H solar cells using a double surface-textured AZO film

  13. A Multi-wavelength High-resolution study of the S255 Star-forming Region: General Structure and Kinematics

    Science.gov (United States)

    Zinchenko, I.; Liu, S.-Y.; Su, Y.-N.; Kurtz, S.; Ojha, D. K.; Samal, M. R.; Ghosh, S. K.

    2012-08-01

    We present observational data for two main components (S255IR and S255N) of the S255 high mass star-forming region in continuum and molecular lines obtained at 1.3 mm and 1.1 mm with the Submillimeter Array (SMA), at 1.3 cm with the Very Large Array, and at 23 and 50 cm with the Giant Metrewave Radio Telescope. The angular resolution was from ~2'' to ~5'' for all instruments. With the SMA we detected a total of about 50 spectral lines of 20 different molecules (including isotopologues). About half of the lines and half of the species (in particular N2H+, SiO, C34S, DCN, DNC, DCO+, HC3N, H2CO, H2CS, SO2) have not been previously reported in S255IR and partly in S255N at high angular resolution. Our data reveal several new clumps in the S255IR and S255N areas through their millimeter wave continuum emission. Masses of these clumps are estimated at a few solar masses. The line widths greatly exceed expected thermal widths. These clumps have practically no association with NIR or radio continuum sources, implying a very early stage of evolution. At the same time, our SiO data indicate the presence of high-velocity outflows related to some of these clumps. In some cases, strong molecular emission at velocities of the quiescent gas has no detectable counterpart in the continuum. We discuss the main features of the distribution of NH3, N2H+, and deuterated molecules. We estimate properties of decimeter wave radio continuum sources and their relationship with the molecular material.

  14. Phase Structure and Properties of a Biodegradable Block Copolymer Coalesced from It's Crystalline Inclusion Compound Formed with alpha-Cyclodextrin

    Science.gov (United States)

    Shuai, Xintao; Wei, Min; Probeni, Francis; Bullions, Todd A.; Shin, I. Daniel; Tonelli, Alan E.

    2002-03-01

    A well-defined biodegradable block copolymer of poly(epsilon caprolactone) (PCL) and poly(L-lactic acid) (PLLA) was synthesized and characterized and then included as a guest in an inclusion compound (IC) formed with the host alpha-cyclodextrin (CD). The PCL-b-PLLA block copolymer was subsequently coalesced from it's CD-IC crystals by either treatment with hot water (50 C) or an aqueous amylase solution at 25 C. The coalesced PCL-b-PLLA was examined by FTIR, DSC, TGA, and WAXD and was found to be much more homogeneosly organized, with much less segregation and crystallinity of the PCL and PLLA microphases. The morpholgy, crystallization kinetics, thermal behavior, and biodegradability of the coalesced PCL-b-PLLA block copolymer was studied by comparison to similar observations made on as-synthesized PCL-b-PLLA, PCL and PLLA homopolymers, and their solution-cast blend. The PCL and PLLA blocks are found to be more intimately mixed, with less phase segregation, in the coalesced diblock copolymer, and this leads to homogeneous bulk crystallization, which is not observed for the as-synthesized diblock copolymer. The coalesced PCL-b-PLLA was also found to be more quickly biodegraded (lipase from Rhizopus arrhizus)than the as-synthesized PCL-b-PLLA or the physical blend of PCL and PLLA homopolymers. Overall, the coalescence of the inherently phase segregated diblock copolymer PCL-b-PLLA results in a small amount of compact, chain-extended PCL and PLLA crystals embedded in an amorphous phase, largely consisting of well-mixed PCL and PLLA blocks. Thus, we have demonstrated that it is possible to control the morpholgy of a biodegradable diblock copolymer, thereby significantly modifying it's properties, by coalescence from it's CD-IC crystals.

  15. Structural and electrical properties of different vanadium oxide phases in thin film form synthesized using pulsed laser deposition

    Energy Technology Data Exchange (ETDEWEB)

    Majid, S. S., E-mail: suhailphy276@gmail.com; Rahman, F. [Department of Physics, Aligarh Muslim University, Aligarh-202002 (India); Shukla, D. K.; Choudhary, R. J.; Phase, D. M. [UGC-DAE Consortium for Scientific Research, Indore-452001 (India)

    2015-06-24

    We present here the structural and electrical properties of the thin films of V{sub 2}O{sub 3} (Vanadium sesquioxide) and V{sub 5}O{sub 9}. Both these oxide phases, V{sub 2}O{sub 3} and V{sub 5}O{sub 9}, have beenachieved on (001) orientedSi substrate using the V{sub 2}O{sub 5} target by optimizing the deposition parameters using pulsed laser deposition technique (PLD).Deposited films were characterized by X-ray diffraction(XRD)and four probe temperature dependent resistivity measurements. XRD studies reveal the V{sub 2}O{sub 3} and V{sub 5}O{sub 9} phases and the amount of strain present in both these films. The temperature dependency of electrical resistivity confirmed the characteristic metal-insulator transitions (MIT) for both the films, V{sub 2}O{sub 3} and V{sub 5}O{sub 9}.

  16. Structure-forming corals and sponges and their use as fish habitat in Bering Sea submarine canyons.

    Directory of Open Access Journals (Sweden)

    Robert J Miller

    Full Text Available Continental margins are dynamic, heterogeneous settings that can include canyons, seamounts, and banks. Two of the largest canyons in the world, Zhemchug and Pribilof, cut into the edge of the continental shelf in the southeastern Bering Sea. Here currents and upwelling interact to produce a highly productive area, termed the Green Belt, that supports an abundance of fishes and squids as well as birds and marine mammals. We show that in some areas the floor of these canyons harbors high densities of gorgonian and pennatulacean corals and sponges, likely due to enhanced surface productivity, benthic currents and seafloor topography. Rockfishes, including the commercially important Pacific ocean perch, Sebastes alutus, were associated with corals and sponges as well as with isolated boulders. Sculpins, poachers and pleuronectid flounders were also associated with corals in Pribilof Canyon, where corals were most abundant. Fishes likely use corals and sponges as sources of vertical relief, which may harbor prey as well as provide shelter from predators. Boulders may be equivalent habitat in this regard, but are sparse in the canyons, strongly suggesting that biogenic structure is important fish habitat. Evidence of disturbance to the benthos from fishing activities was observed in these remote canyons. Bottom trawling and other benthic fishing gear has been shown to damage corals and sponges that may be very slow to recover from such disturbance. Regulation of these destructive practices is key to conservation of benthic habitats in these canyons and the ecosystem services they provide.

  17. Structure-Forming Corals and Sponges and Their Use as Fish Habitat in Bering Sea Submarine Canyons

    Science.gov (United States)

    Miller, Robert J.; Hocevar, John; Stone, Robert P.; Fedorov, Dmitry V.

    2012-01-01

    Continental margins are dynamic, heterogeneous settings that can include canyons, seamounts, and banks. Two of the largest canyons in the world, Zhemchug and Pribilof, cut into the edge of the continental shelf in the southeastern Bering Sea. Here currents and upwelling interact to produce a highly productive area, termed the Green Belt, that supports an abundance of fishes and squids as well as birds and marine mammals. We show that in some areas the floor of these canyons harbors high densities of gorgonian and pennatulacean corals and sponges, likely due to enhanced surface productivity, benthic currents and seafloor topography. Rockfishes, including the commercially important Pacific ocean perch, Sebastes alutus, were associated with corals and sponges as well as with isolated boulders. Sculpins, poachers and pleuronectid flounders were also associated with corals in Pribilof Canyon, where corals were most abundant. Fishes likely use corals and sponges as sources of vertical relief, which may harbor prey as well as provide shelter from predators. Boulders may be equivalent habitat in this regard, but are sparse in the canyons, strongly suggesting that biogenic structure is important fish habitat. Evidence of disturbance to the benthos from fishing activities was observed in these remote canyons. Bottom trawling and other benthic fishing gear has been shown to damage corals and sponges that may be very slow to recover from such disturbance. Regulation of these destructive practices is key to conservation of benthic habitats in these canyons and the ecosystem services they provide. PMID:22470486

  18. Self-powdering and nonlinear optical domain structures in ferroelastic β'-Gd2(MoO4)3 crystals formed in glass

    International Nuclear Information System (INIS)

    Tsukada, Y.; Honma, T.; Komatsu, T.

    2009-01-01

    Ferroelastic β'-Gd 2 (MoO 4 ) 3 , (GMO), crystals are formed through the crystallization of 21.25Gd 2 O 3 -63.75MoO 3 -15B 2 O 3 glass (mol%), and two scientific curious phenomena are observed. (1) GMO crystals formed in the crystallization break into small pieces with a triangular prism or pyramid shape having a length of 50-500 μm spontaneously during the crystallizations in the inside of an electric furnace, not during the cooling in air after the crystallization. This phenomenon is called 'self-powdering phenomenon during crystallization' in this paper. (2) Each self-powdered GMO crystal grain shows a periodic domain structure with different refractive indices, and a spatially periodic second harmonic generation (SHG) depending on the domain structure is observed. It is proposed from polarized micro-Raman scattering spectra and the azimuthal dependence of second harmonic intensities that GMO crystals are oriented in each crystal grain and the orientation of (MoO 4 ) 2- tetrahedra in GMO crystals changes periodically due to spontaneous strains in ferroelastic GMO crystals. - Graphical abstract: This figure shows the polarized optical photograph at room temperature for a particle (piece) obtained by a heat treatment of the glass at 590 deg. C for 2 h in an electric furnace in air. This particle was obtained through the self-powdering behavior in the crystallization of glass. The periodic domain structure is observed. Ferroelastic β'-Gd 2 (MoO 4 ) 3 crystals are formed in the particle, and second harmonic generations are detected, depending on the domain structure.

  19. A slow-forming isopeptide bond in the structure of the major pilin SpaD from Corynebacterium diphtheriae has implications for pilus assembly

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Hae Joo; Paterson, Neil G. [University of Auckland, Private Bag 92019, Auckland 1142 (New Zealand); Kim, Chae Un [Cornell University, Ithaca, NY 14853 (United States); Middleditch, Martin [University of Auckland, Private Bag 92019, Auckland 1142 (New Zealand); Chang, Chungyu; Ton-That, Hung [University of Texas–Houston Medical School, Houston, TX 77030 (United States); Baker, Edward N., E-mail: ted.baker@auckland.ac.nz [University of Auckland, Private Bag 92019, Auckland 1142 (New Zealand)

    2014-05-01

    Two crystal structures of the major pilin SpaD from C. diphtheriae have been determined at 1.87 and 2.5 Å resolution. The N-terminal domain is found to contain an isopeptide bond that forms slowly over time in the recombinant protein. Given its structural context, this provides insight into the relationship between internal isopeptide-bond formation and pilus assembly. The Gram-positive organism Corynebacterium diphtheriae, the cause of diphtheria in humans, expresses pili on its surface which it uses for adhesion and colonization of its host. These pili are covalent protein polymers composed of three types of pilin subunit that are assembled by specific sortase enzymes. A structural analysis of the major pilin SpaD, which forms the polymeric backbone of one of the three types of pilus expressed by C. diphtheriae, is reported. Mass-spectral and crystallographic analysis shows that SpaD contains three internal Lys–Asn isopeptide bonds. One of these, shown by mass spectrometry to be located in the N-terminal D1 domain of the protein, only forms slowly, implying an energy barrier to bond formation. Two crystal structures, of the full-length three-domain protein at 2.5 Å resolution and of a two-domain (D2-D3) construct at 1.87 Å resolution, show that each of the three Ig-like domains contains a single Lys–Asn isopeptide-bond cross-link, assumed to give mechanical stability as in other such pili. Additional stabilizing features include a disulfide bond in the D3 domain and a calcium-binding loop in D2. The N-terminal D1 domain is more flexible than the others and, by analogy with other major pilins of this type, the slow formation of its isopeptide bond can be attributed to its location adjacent to the lysine used in sortase-mediated polymerization during pilus assembly.

  20. Structure of TatA paralog, TatE, suggests a structurally homogeneous form of Tat protein translocase that transports folded proteins of differing diameter.

    Science.gov (United States)

    Baglieri, Jacopo; Beck, Daniel; Vasisht, Nishi; Smith, Corinne J; Robinson, Colin

    2012-03-02

    The twin-arginine translocation (Tat) system transports folded proteins across bacterial and plant thylakoid membranes. Most current models for the translocation mechanism propose the coalescence of a substrate-binding TatABC complex with a separate TatA complex. In Escherichia coli, TatA complexes are widely believed to form the translocation pore, and the size variation of TatA has been linked to the transport of differently sized substrates. Here, we show that the TatA paralog TatE can substitute for TatA and support translocation of Tat substrates including AmiA, AmiC, and TorA. However, TatE is found as much smaller, discrete complexes. Gel filtration and blue native electrophoresis suggest sizes between ∼50 and 110 kDa, and single-particle processing of electron micrographs gives size estimates of 70-90 kDa. Three-dimensional models of the two principal TatE complexes show estimated diameters of 6-8 nm and potential clefts or channels of up to 2.5 nm diameter. The ability of TatE to support translocation of the 90-kDa TorA protein suggests alternative translocation models in which single TatA/E complexes do not contribute the bulk of the translocation channel. The homogeneity of both the TatABC and the TatE complexes further suggests that a discrete Tat translocase can translocate a variety of substrates, presumably through the use of a flexible channel. The presence and possible significance of double- or triple-ring TatE forms is discussed.

  1. MAGNETIC FIELD STRUCTURES AND TURBULENT COMPONENTS IN THE STAR-FORMING MOLECULAR CLOUDS OMC-2 AND OMC-3

    International Nuclear Information System (INIS)

    Poidevin, Frederick; Bastien, Pierre; Matthews, Brenda C.

    2010-01-01

    The SCUBA polarized 850 μm thermal emission data of the OMC-2 region in Orion A are added to and homogeneously reduced with data already available in the OMC-3 region. The data set shows that OMC-2 is a region generally less polarized than OMC-3. Where coincident, most of the 850 μm polarization pattern is similar to that measured in 350 μm polarization data. Only 850 μm polarimetry data have been obtained in and around MMS7, FIR1 and FIR2, and in the region south of FIR6. A realignment of the polarization vectors with the filament can be seen near FIR1 in the region south of OMC-3. An analysis shows that the energy injected by CO outflows and H 2 jets associated with OMC-2 and OMC-3 does not appear to alter the polarization patterns at a scale of the 14'' resolution beam. A second-order structure function analysis of the polarization position angles shows that OMC-2 is a more turbulent region than OMC-3. OMC-3 appears to be a clear case of a magnetically dominated region with respect to the turbulence. However, for OMC-2 it is not clear that this is the case. A more in-depth analysis of five regions displayed along OMC-2/3 indicates a decrease of the mean polarization degree and an increase of the turbulent angular dispersion from north to south. A statistical analysis suggests the presence of two depolarization regimes in our maps: one regime including the effects of the cores, the other one excluding it.

  2. Schizosaccharomyces pombe Rad22A and Rad22B have similar biochemical properties and form multimeric structures

    Energy Technology Data Exchange (ETDEWEB)

    Vries, Femke A.T. de [Department of Toxicogenetics, Leiden University Medical Center, P.O. Box 9600, 2300 RC Leiden (Netherlands); Zonneveld, Jose B.M. [Department of Toxicogenetics, Leiden University Medical Center, P.O. Box 9600, 2300 RC Leiden (Netherlands); Groot, Anton J. de [Department of Toxicogenetics, Leiden University Medical Center, P.O. Box 9600, 2300 RC Leiden (Netherlands); Koning, Roman I. [Department of Molecular Cell Biology, Leiden University Medical Center, Leiden (Netherlands); Zeeland, Albert A. van [Department of Toxicogenetics, Leiden University Medical Center, P.O. Box 9600, 2300 RC Leiden (Netherlands); Pastink, Albert [Department of Toxicogenetics, Leiden University Medical Center, P.O. Box 9600, 2300 RC Leiden (Netherlands)]. E-mail: A.Pastink@lumc.nl

    2007-02-03

    The Saccharomyces cerevisiae Rad52 protein has a crucial role in the repair of DNA double-strand breaks by homologous recombination. In vitro, Rad52 displays DNA binding and strand annealing activities and promotes Rad51-mediated strand exchange. Schizosaccharomyces pombe has two Rad52 homologues, Rad22A and Rad22B. Whereas rad22A deficient strains exhibit severe defects in repair and recombination, rad22B mutants have a much less severe phenotype. To better understand the role of Rad22A and Rad22B in double-strand break repair, both proteins were purified to near homogeneity. Using gel retardation and filter binding assays, binding of Rad22A and Rad22B to short single-stranded DNAs was demonstrated. Binding of Rad22A to double-stranded oligonucleotides or linearized plasmid molecules containing blunt ends or short single-stranded overhangs could not be detected. Rad22B also does not bind efficiently to short duplex oligonucleotides but binds readily to DNA fragments containing 3'-overhangs. Rad22A as well as Rad22B efficiently promote annealing of complementary single-stranded DNAs. In the presence of Rad22A annealing of complementary DNAs is almost 90%. Whereas in reactions containing Rad22B the maximum level of annealing is 60%, most likely due to inhibition of the reaction by duplex DNA. Gel-filtration experiments and electron microscopic analyses indicate self-association of Rad22A and Rad22B and the formation of multimeric structures as has been observed for Rad52 in yeast and man.

  3. EVOLUTION OF GASEOUS DISK VISCOSITY DRIVEN BY SUPERNOVA EXPLOSION. II. STRUCTURE AND EMISSIONS FROM STAR-FORMING GALAXIES AT HIGH REDSHIFT

    International Nuclear Information System (INIS)

    Yan Changshuo; Wang Jianmin

    2010-01-01

    High spatial resolution observations show that high-redshift galaxies are undergoing intensive evolution of dynamical structure and morphologies displayed by the Hα, Hβ, [O III], and [N II] images. It has been shown that supernova explosion (SNexp) of young massive stars during the star formation epoch, as kinetic feedback to host galaxies, can efficiently excite the turbulent viscosity. We incorporate the feedback into the dynamical equations through mass dropout and angular momentum transportation driven by the SNexp-excited turbulent viscosity. The empirical Kennicutt-Schmidt law is used for star formation rates (SFRs). We numerically solve the equations and show that there can be intensive evolution of structure of the gaseous disk. Secular evolution of the disk shows interesting characteristics: (1) high viscosity excited by SNexp can efficiently transport the gas from 10 kpc to ∼1 kpc forming a stellar disk whereas a stellar ring forms for the case with low viscosity; (2) starbursts trigger SMBH activity with a lag of ∼10 8 yr depending on SFRs, prompting the joint evolution of SMBHs and bulges; and (3) the velocity dispersion is as high as ∼100 km s -1 in the gaseous disk. These results are likely to vary with the initial mass function (IMF) that the SNexp rates rely on. Given the IMF, we use the GALAXEV code to compute the spectral evolution of stellar populations based on the dynamical structure. In order to compare the present models with the observed dynamical structure and images, we use the incident continuum from the simple stellar synthesis and CLOUDY to calculate emission line ratios of Hα, Hβ, [O III], and [N II], and Hα brightness of gas photoionized by young massive stars formed on the disks. The models can produce the main features of emission from star-forming galaxies. We apply the present model to two galaxies, BX 389 and BX 482 observed in the SINS high-z sample, which are bulge and disk-dominated, respectively. Two successive

  4. Structure of long human telomeric RNA (TERRA): G-quadruplexes formed by four and eight UUAGGG repeats are stable building blocks.

    Science.gov (United States)

    Martadinata, Herry; Heddi, Brahim; Lim, Kah Wai; Phan, Anh Tuân

    2011-07-26

    The discovery of long RNA transcripts of telomeric repeats (TERRA) and their potential to form G-quadruplexes stimulated studies on the possible arrangements of G-quadruplexes along TERRA. Here we performed ribonuclease protection assay to investigate the structures formed by long human TERRA. We found that G-quadruplexes comprising four and eight UUAGGG repeats were most resistant to RNase T1 digestion, presumably with the former adopting an all-parallel-stranded propeller-type conformation and the latter forming a structure with two tandemly stacked G-quadruplex subunits each containing three G-tetrad layers. Molecular dynamics simulations of eight-repeat human TERRA sequences consisting of different stacking interfaces between the two G-quadruplex subunits, i.e., 5'-5', 3'-3', 3'-5', and 5'-3', demonstrated stacking feasibility for all but the 5'-3' arrangement. A continuous stacking of the loop bases from one G-quadruplex subunit to the next was observed for the 5'-5' stacking conformation. We also put forward other possible stacking arrangements that involve more than one linker connecting the two G-quadruplex subunits. On the basis of these results, we propose a "beads-on-a-string"-like arrangement along human TERRA, whereby each bead is made up of either four or eight UUAGGG repeats in a one- or two-block G-quadruplex arrangement, respectively. © 2011 American Chemical Society

  5. Using ALMA to Resolve the Nature of the Early Star-Forming Large-Scale Structure G073

    Science.gov (United States)

    Hill, R.; Kneissl, R.; Polletta, M.; Clarenc, B.; Dole, H. A.; Nesvadba, N. P. H.; Scott, D.; Béthermin, M.; Lagache, G.; Montier, L.

    2017-07-01

    Galaxy clusters at large redshift are key targets for understanding the nature of the early Universe, yet locating them has proven to be very challenging. Recently, a large sample of over 2000 high-z candidate structures have been found using Planck's all-sky submillimetre maps, and a subset of 234 have been followed up with Herschel-SPIRE, which showed that the emission can be attributed to large far-infrared overdensities. However, the individual galaxies giving rise to the emission seen by Planck and Herschel have not yet been resolved nor characterized, so we do not yet know whether these sources are the progenitors of present-day, massive galaxy clusters. In an attempt to address this, we targeted the eight brightest Herschel-SPIRE peaks in the centre of the Planck peak G073.4-57.5 using ALMA at 1.3 mm, and complemented these observations with multi-wavelength data from Spitzer-IRAC at 3.6 and 4.5 μm and from CFHT-WIRCam at 1.2 and 2.2 μm. We also utilize data on G073.4-57.5 at 850 μm from JCMT's SCUBA-2 instrument. We detect a total of 18 millimetre galaxies brighter than 0.3mJy in 2.4arcmin2. In every case we are able to match these to their NIR counterparts, and while the most significant SCUBA-2 sources are not included in the ALMA pointings, we find an 8σ detection when stacking the ALMA source positions in the 850 μm data. We derive photometric redshifts, IR luminosities, star-formation rates, stellar masses, dust temperatures, and dust masses; the photometric redshifts are concentrated around z ≃ 1 and z ≃ 2 and the NIR colours show a "red" sequence, while the star-formation rates indicate that three of the galaxies are "starbursts". Serendipitous CO line detections of two of the galaxies appear to match their photometric redshifts with z = 2.05. We find that the ALMA source density is 8-30 times higher than average background estimates, and thus also larger than seen in typical "proto-cluster" fields. The evidence seems to be indicating the

  6. Structural Basis for Catalysis by the Mono and Dimetalated forms of the dapE-encoded N-succinyl-L,L-Diaminopimelic Acid Desuccinylase

    Science.gov (United States)

    Nocek, Boguslaw P.; Gillner, Danuta M.; Fan, Yao; Holz, Richard C.; Joachimiak, Andrzej

    2010-01-01

    Biosynthesis of lysine and meso-diaminopimelic acid in bacteria provides essential components for protein synthesis and construction of the bacterial peptidoglycan cell wall. The dapE operon enzymes synthesize both meso-diaminopimelic acid and lysine and, therefore, represent a potential targets for novel antibacterials. The dapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase functions in a late step of the pathway and converts N-succinyl-L,L-diaminopimelic acid (L,L-SDAP) to L,L-diaminopimelic acid and succinate. Deletion of the dapE gene is lethal to Helicobacter pylori and Mycobacterium smegmatis indicating that DapE’s are essential for cell growth and proliferation. Since there are no similar pathways in humans, inhibitors that target DapE may have selective toxicity against only bacteria. A major limitation in developing antimicrobial agents that target DapE has been the lack of structural information. Herein we report the high-resolution X-ray crystal structures of the DapE from Haemophilus influenzae with one and two zinc ions bound in the active site, respectively. These two forms show different activity. Based on these newly determined structures we propose a revised catalytic mechanism of peptide bond cleavage by DapE enzymes. These structures provide important insight into catalytic mechanism of DapE enzymes as well as a structural foundation that is critical for the rational design of DapE inhibitors. PMID:20138056

  7. Structural basis for catalysis by the mono- and dimetalated forms of the dapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase.

    Science.gov (United States)

    Nocek, Boguslaw P; Gillner, Danuta M; Fan, Yao; Holz, Richard C; Joachimiak, Andrzej

    2010-04-02

    Biosynthesis of lysine and meso-diaminopimelic acid in bacteria provides essential components for protein synthesis and construction of the bacterial peptidoglycan cell wall. The dapE operon enzymes synthesize both meso-diaminopimelic acid and lysine and, therefore, represent potential targets for novel antibacterials. The dapE-encoded N-succinyl-L,L-diaminopimelic acid desuccinylase functions in a late step of the pathway and converts N-succinyl-L,L-diaminopimelic acid to L,L-diaminopimelic acid and succinate. Deletion of the dapE gene is lethal to Helicobacter pylori and Mycobacterium smegmatis, indicating that DapE's are essential for cell growth and proliferation. Since there are no similar pathways in humans, inhibitors that target DapE may have selective toxicity against only bacteria. A major limitation in developing antimicrobial agents that target DapE has been the lack of structural information. Herein, we report the high-resolution X-ray crystal structures of the DapE from Haemophilus influenzae with one and two zinc ions bound in the active site, respectively. These two forms show different activity. Based on these newly determined structures, we propose a revised catalytic mechanism of peptide bond cleavage by DapE enzymes. These structures provide important insight into catalytic mechanism of DapE enzymes as well as a structural foundation that is critical for the rational design of DapE inhibitors. Copyright 2010 Elsevier Ltd. All rights reserved.

  8. [Structure of Relationships Formed by Occupational Health Nurses for Co-operating with Managers to Support Workers with Mental Health Concerns].

    Science.gov (United States)

    Hatanaka, Junko; Takasaki, Masako; Hatanaka, Michiyo

    2018-03-29

    Occupational health staff and managers play important roles in supporting workers with mental health concerns and mutual co-operation among them is a necessary element. However, when co-operating with other professionals, several problems arise that often make such co-operation a challenge. Effective mutual actions are needed to promote such co-operation, and relationships must be formed for this purpose. Therefore, in this study, we aimed to clarify how occupational health nurses form relationships for facilitating co-operation with managers to provide support to workers with mental health concerns. Data were collected using semi-structured interviews with 11 occupational health nurses who provide individualized mental health support and who have at least 5 years of experience as occupational health nurses. Analysis of the recorded interviews was performed using a qualitative statistical method (KJ method). Six elements that constitute the formation of relationships were identified. When occupational health nurses form relationships for facilitating co-operation with a manager to provide support to workers, they "form relationships through strategic communication" with them and when co-operation is required, they form a relationship by "acting in a manner that suits the manager," such as his/her character and the situation. To support this relationship, occupational health nurses "provide mental support to the manager" by listening to his/her anxiety or real intention about supporting the subordinate with mental health concerns and provide relief while understanding their burdens during the co-operation. Occupational health nurses even "provide support to the manager in their activities," which assessed the situation at the workplace as the specialist and advised the manager to understand how to concern to the subordinate specifically. In addition, they "indirectly support the manager" which included coordinating with the concerned persons so as to not excessively

  9. The Crystal Structure of BRAF in Complex with an Organoruthenium Inhibitor Reveals a Mechanism for Inhibition of an Active Form of BRAF Kinase

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Peng; Streu, Craig; Qin, Jie; Bregman, Howard; Pagano, Nicholas; Meggers, Eric; Marmorstein, Ronen (Wistar); (UPENN)

    2012-06-19

    Substitution mutations in the BRAF serine/threonine kinase are found in a variety of human cancers. Such mutations occur in 70% of human malignant melanomas, and a single hyperactivating V600E mutation is found in the activation segment of the kinase domain and accounts for more than 90% of these mutations. Given this correlation, the molecular mechanism for BRAF regulation as well as oncogenic activation has attracted considerable interest, and activated forms of BRAF, such as BRAF{sup V600E}, have become attractive targets for small molecule inhibition. Here we report on the identification and subsequent optimization of a potent BRAF inhibitor, CS292, based on an organometallic kinase inhibitor scaffold. A cocrystal structure of CS292 in complex with the BRAF kinase domain reveals that CS292 binds to the ATP binding pocket of the kinase and is an ATP competitive inhibitor. The structure of the kinase-inhibitor complex also demonstrates that CS292 binds to BRAF in an active conformation and suggests a mechanism for regulation of BRAF by phosphorylation and BRAF{sup V600E} oncogene-induced activation. The structure of CS292 bound to the active form of the BRAF kinase also provides a novel scaffold for the design of BRAF{sup V600E} oncogene selective BRAF inhibitors for therapeutic application.

  10. Structure of the plasminogen kringle 4 binding calcium-free form of the C-type lectin-like domain of tetranectin

    DEFF Research Database (Denmark)

    Nielbo, Steen; Thomsen, Jens K; Graversen, Jonas Heilskov

    2004-01-01

    4). The structure of the calcium free-form of TN3 (apoTN3) has been determined by NMR. Compared to the structure of the calcium-bound form of TN3 (holoTN3), the core region of secondary structural elements is conserved, while large displacements occur in the loops involved in calcium or K4 binding......Tetranectin is a homotrimeric protein containing a C-type lectin-like domain. This domain (TN3) can bind calcium, but in the absence of calcium, the domain binds a number of kringle-type protein ligands. Two of the calcium-coordinating residues are also critical for binding plasminogen kringle 4 (K....... A conserved proline, which was found to be in the cis conformation in holoTN3, is in apoTN3 predominantly in the trans conformation. Backbone dynamics indicate that, in apoTN3 especially, two of the three calcium-binding loops and two of the three K4-binding residues exhibit increased flexibility, whereas...

  11. Crystal structure of Helicobacter pylori neutrophil-activating protein with a di-nuclear ferroxidase center in a zinc or cadmium-bound form

    Energy Technology Data Exchange (ETDEWEB)

    Yokoyama, Hideshi, E-mail: h-yokoya@u-shizuoka-ken.ac.jp [School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526 (Japan); Tsuruta, Osamu; Akao, Naoya; Fujii, Satoshi [School of Pharmaceutical Sciences, University of Shizuoka, 52-1 Yada, Suruga-ku, Shizuoka 422-8526 (Japan)

    2012-06-15

    Highlights: Black-Right-Pointing-Pointer Structures of a metal-bound Helicobacter pylori neutrophil-activating protein were determined. Black-Right-Pointing-Pointer Two zinc ions were tetrahedrally coordinated by ferroxidase center (FOC) residues. Black-Right-Pointing-Pointer Two cadmium ions were coordinated in a trigonal-bipyramidal and octahedral manner. Black-Right-Pointing-Pointer The second metal ion was more weakly coordinated than the first at the FOC. Black-Right-Pointing-Pointer A zinc ion was found in one negatively-charged pore suitable as an ion path. -- Abstract: Helicobacter pylori neutrophil-activating protein (HP-NAP) is a Dps-like iron storage protein forming a dodecameric shell, and promotes adhesion of neutrophils to endothelial cells. The crystal structure of HP-NAP in a Zn{sup 2+}- or Cd{sup 2+}-bound form reveals the binding of two zinc or two cadmium ions and their bridged water molecule at the ferroxidase center (FOC). The two zinc ions are coordinated in a tetrahedral manner to the conserved residues among HP-NAP and Dps proteins. The two cadmium ions are coordinated in a trigonal-bipyramidal and distorted octahedral manner. In both structures, the second ion is more weakly coordinated than the first. Another zinc ion is found inside of the negatively-charged threefold-related pore, which is suitable for metal ions to pass through.

  12. Neutron and X-ray crystallographic analysis of Achromobacter protease I at pD 8.0: protonation states and hydration structure in the free-form.

    Science.gov (United States)

    Ohnishi, Yuki; Yamada, Taro; Kurihara, Kazuo; Tanaka, Ichiro; Sakiyama, Fumio; Masaki, Takeharu; Niimura, Nobuo

    2013-08-01

    The structure of the free-form of Achromobacter protease I (API) at pD 8.0 was refined by simultaneous use of single crystal X-ray and neutron diffraction data sets to investigate the protonation states of key catalytic residues of the serine protease. Occupancy refinement of the catalytic triad in the active site of API free-form showed that ca. 30% of the imidazole ring of H57 and ca. 70% of the hydroxyl group of S194 were deuterated. This observation indicates that a major fraction of S194 is protonated in the absence of a substrate. The protonation state of the catalytic triad in API was compared with the bovine β-trypsin-BPTI complex. The comparison led to the hypothesis that close contact of a substrate with S194 could lower the acidity of its hydroxyl group, thereby allowing H57 to extract the hydrogen from the hydroxyl group of S194. H210, which is a residue specific to API, does not form a hydrogen bond with the catalytic triad residue D113. Instead, H210 forms a hydrogen bond network with S176, H177 and a water molecule. The close proximity of the bulky, hydrophobic residue W169 may protect this hydrogen bond network, and this protection may stabilize the function of API over a wide pH range. Copyright © 2013 Elsevier B.V. All rights reserved.

  13. Crystal structure of a nucleoside model for the interstrand cross-link formed by the reaction of 2′-deoxyguanosine and an abasic site in duplex DNA

    Directory of Open Access Journals (Sweden)

    Michael J. Catalano

    2016-05-01

    Full Text Available The title compound, 9-[(2R,4S,5R-4-hydroxy-5-(hydroxymethyltetrahydrofuran-2-yl]-2-{[(2R,4S,5R-4-methoxy-5-(methoxymethyltetrahydrofuran-2-yl]amino}-1H-purin-6(9H-one, C17H25N5O7, crystallizes with two independent molecules (A and B in the asymmetric unit. In the crystal, the guanosine moieties of molecules A and B are linked by N—H...N and O—H...N hydrogen-bonding interactions, forming ribbons which are stacked to form columns along [100]. These columns are then linked by O—H...O hydrogen bonds between the ribose moieties and numerous C—H...O interactions to complete the three-dimensional structure.

  14. Origin, Development and Decline of Monolithic Pillars and the Continuity of the Tradition in Polylithic, Non-Lithic and Structural Forms

    Directory of Open Access Journals (Sweden)

    S. Krishnamurthy

    2016-02-01

    Full Text Available The present paper deals with one such creations of Man, i.e. the tradition of erecting free standing monolithic pillars - its origin, growth and decline and the continuity of the tradition of erecting such pillars in its changed polylithic (from Greek word polloi = many + lithic = stone, non-lithic and structural forms. No exact reason can be found, pointing it to be the exact cause for the decline in the tradition of erecting monolithic pillar and its transformation. In this paper the authors try to analyse various phenomenon likesocio-political, economic and technical aspects which may have lead to their decline and subsequently their continuity in a changed form in Indian context.

  15. Synthesis, crystal structure and properties of K2Ta2S10: A novel ternary tantalum polysulfide with TaS8 polyhedra forming infinite anionic chains

    International Nuclear Information System (INIS)

    Wu Yuandong; Naether, Christian; Bensch, Wolfgang

    2005-01-01

    The new ternary alkali tantalum polysulfide K 2 Ta 2 S 10 has been synthesized by reacting TaS 2 with an in situ formed melt of K 2 S 3 and S at 773K. The compound crystallizes with four formula units in the monoclinic space group P2 1 /n (No. 14) with lattice parameters of a=14.9989(13)A,b=6.4183(4)A,c=15.1365(13)A,β=117.629(9) o . The structure contains two different zigzag chain anions [TaS 5 ] - , running parallel to the crystallographic b-axis separated by potassium cations. The two crystallographically independent tantalum atoms are in a distorted bi-capped trigonal prismatic environment of eight sulfur atoms which was never observed before. The TaS 8 polyhedra share three S atoms on each side to form the anionic chains. The compound was characterized with FIR and Raman spectroscopy

  16. Stabilization of the autoproteolysis of TNF-alpha converting enzyme (TACE) results in a novel crystal form suitable for structure-based drug design studies.

    Science.gov (United States)

    Ingram, Richard N; Orth, Peter; Strickland, Corey L; Le, Hung V; Madison, Vincent; Beyer, Brian M

    2006-04-01

    The crystallization of TNF-alpha converting enzyme (TACE) has been useful in understanding the structure-activity relationships of new chemical entities. However, the propensity of TACE to undergo autoproteolysis has made enzyme handling difficult and impeded the identification of inhibitor soakable crystal forms. The autoproteolysis of TACE was found to be specific (Y352-V353) and occurred within a flexible loop that is in close proximity to the P-side of the active site. The rate of autoproteolysis was found to be proportional to the concentration of TACE, suggesting a bimolecular reaction mechanism. A limited specificity study of the S(1)' subsite was conducted using surrogate peptides and suggested substitutions that would stabilize the proteolysis of the loop at positions Y352-V353. Two mutant proteases (V353G and V353S) were generated and proved to be highly resistant to autoproteolysis. The kinetics of the more resistant mutant (V353G) and wild-type TACE were compared and demonstrated virtually identical IC(50) values for a panel of competitive inhibitors. However, the k(cat)/K(m) of the mutant for a larger substrate (P6 - P(6)') was approximately 5-fold lower than that for the wild-type enzyme. Comparison of the complexed wild-type and mutant structures indicated a subtle shift in a peripheral P-side loop (comprising the mutation site) that may be involved in substrate binding/turnover and might explain the mild kinetic difference. The characterization of this stabilized form of TACE has yielded an enzyme with similar native kinetic properties and identified a novel crystal form that is suitable for inhibitor soaking and structure determination.

  17. Structural validity of a 16-item abridged version of the Cervantes Health-Related Quality of Life scale for menopause: the Cervantes Short-Form Scale.

    Science.gov (United States)

    Coronado, Pluvio J; Borrego, Rafael Sánchez; Palacios, Santiago; Ruiz, Miguel A; Rejas, Javier

    2015-03-01

    The Cervantes Scale is a specific health-related quality of life questionnaire that was originally developed in Spanish to be used in Spain for women through and beyond menopause. It contains 31 items and is time-consuming. The aim of this study was to produce an abridged version with the same dimensional structure and with similar psychometric properties. A representative sample of 516 postmenopausal women (mean [SD] age, 57 [4.31] y) seen in outpatient gynecology clinics and extracted from an observational cross-sectional study was used. Item analysis, internal consistency reliability, item-total and item-dimension correlations, and item correlation with the 12-item Medical Outcomes Study Short Form Health Survey Version 2.0 were studied. Dimensional and full-model confirmatory factor analyses were used to check structure stability. A threefold cross-validation method was used to obtain stable estimates by means of multigroup analysis. The scale was reduced to a 16-item version, the Cervantes Short-Form Scale, containing four main dimensions (Menopause and Health, Psychological, Sexuality, and Couple Relations), with the first dimension composed of three subdimensions (Vasomotor Symptoms, Health, and Aging). Goodness-of-fit statistics were better than those of the extended version (χ(2)/df = 2.493; adjusted goodness-of-fit index, 0.802; parsimony comparative fit index, 0.749; root mean standard error of approximation, 0.054). Internal consistency was good (Cronbach's α = 0.880). Correlations between the extended and the reduced dimensions were high and significant in all cases (P < 0.001; r values ranged from 0.90 for Sexuality to 0.969 for Vasomotor Symptoms). The Cervantes Scale can be reduced to a 16-item abridged version (Cervantes Short-Form Scale) that maintains the original dimensional structure and psychometric properties. At 51% of the original length, this version can be administered faster, making it especially suitable for routine medical practice.

  18. ASACUSA's radio-frequency quadrupole decelerator, open to show the four-rod structure along the centre, which crosses 35 resonator chambers formed by the vertical partitions.

    CERN Multimedia

    Laurent Guiraud

    2000-01-01

    The Radio-Frequency Quadrupole, RFQD, which further decelerates antiprotons ejected from the Antiproton Decelerator (AD). Starting from a momentum of 100 MeV/c (kinetic energy 5.3 MeV), the RFQD delivers very-low-energy antiprotons, adjustable between 10 and 110 keV, to the experiment ASACUSA. In picture _02, the view from the upstream end shows its 4-rod structure, traversing 35 resonator chambers formed by the vertical partitions. The tank has an inner diameter of 390 mm and is pumped to a vacuum of a few E-8 Torr.

  19. Joint Convention on the Safety of Spent Fuel Management and on the Safety of Radioactive Waste Management. Guidelines regarding the form and structure of national reports

    International Nuclear Information System (INIS)

    2002-01-01

    At the Preparatory Meeting of the Contracting Parties to the Joint Convention held from 10 to 12 December 2001, three documents were adopted concerning the rules and arrangements for conducting meetings of Contracting Parties to the Convention. As announced in the Report on the Preparatory Meeting (GOV/INF/2002/3), these three documents are being made available as INFCIRCs. Accordingly, herewith attached are the Guidelines regarding the Form and Structure of National Reports. Also being made available are the Rules of Procedure and Financial Rules (INFCIRC/602) and Guidelines regarding the Review Process (INFCIRC/603)

  20. Structure, Morphology and Optical Properties of TiO2 Films Formed by Anodizing in a Mixed Solution of Citric Acid and Sulfamic Acid

    Science.gov (United States)

    Choudhary, R. K.; Sarkar, P.; Biswas, A.; Mishra, P.; Abraham, G. J.; Sastry, P. U.; Kain, V.

    2017-08-01

    TiO2 films of 50-180 nm thickness were formed at room temperature by anodization of titanium metal in a mixture of citric acid and sulfamic acid in the potential range of 5-30 V. The films so obtained were characterized for their crystal structure, surface morphology, chemical composition and optical properties. Grazing incidence x-ray diffraction and micro-laser Raman spectroscopy measurements of the anodic films confirmed the formation of brookite phase of TiO2 at anodizing potentials of 15, 20, 25 and 30 V and amorphous structure at 5 and 10 V. Field emission scanning electron microscopy revealed non-porous microstructure of the films. Spectroscopic ellipsometry measurements evaluated the band gap of TiO2 at around 3.3 eV, whereas the refractive index of the films was found to be in the range of 2-2.35, in the visible range of spectrum.

  1. GAS PHASE STRUCTURE AND STABILITY OF COMPLEX FORMED BY H2O, NH3, H2S AND THEIR METHYL DERIVATIVES WITH THE CATION CO2+

    Directory of Open Access Journals (Sweden)

    Cahyorini Kusumawardani

    2010-06-01

    Full Text Available Ab initio molecular orbital calculations at the Hartree-Fock-Self Consistent Field (HF-SCF have been performed in order to determine the structure and gas phase energies of complex formed by the Lewis bases of H2O, NH3, H2S and their methyl derivatives with the cation Co2+. The relative basicities of the base studied depend on both the substituent. The gas-phase interaction energies computed by the SCF method including electron correlation Møller-Plesset 2 (MP2 dan Configuration Iteration (CI were comparable in accuracy. The binding energies computed by these two methods reach the targeted chemical accuracy.   Keywords: ab initio calculation, cobalt complex, structure stability

  2. Structural characterisation of degradation products formed upon di-n-butyl phthalate radiolysis by high-performance liquid chromatography electro-spray tandem mass spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Tintaru, A.; Charles, L. [Univ Aix Marseille 1, CNRS, Lab Chim Provence Spectrometries Appl Chim Struct, UMR 6264, F-13397 Marseille (France); Univ Aix Marseille 2, CNRS, Lab Chim Provence Spectrometries Appl Chim Struct, UMR 6264, F-13397 Marseille (France); Labed, V. [CEA Marcoule, DTCD SPDE L2ED, F-30207 Bagnols Sur Ceze (France)

    2010-07-01

    Complete text of publication follows: Structural characterisation of 15 degradation products, formed upon di-n-butyl phthalate (DBP) radiolysis, has been achieved using a high-performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) coupling. The dissociation behaviour of protonated DBP was first established to be further used to characterise structural deviation in the degradation products. Based on accurate mass measurements, compounds shown by HPLC-MS analysis were all found to be DBP oxidation products, amongst which various sets of isomers could be distinguished. Collision-induced dissociation experiments performed on each electro-sprayed molecule first allowed unambiguous definition of the location of the additional oxygen atoms; that is, in the alkyl branch or on the aromatic ring. Although location of the oxygen atom in the alkyl branches could not always be precisely determined, relative abundances of some product ions allowed oxygenated functions to be identified

  3. Recombination analysis and structure prediction show correlation between breakpoint clusters and RNA hairpins in the pol gene of human immunodeficiency virus type 1 unique recombinant forms

    DEFF Research Database (Denmark)

    Galli, Andrea; Lai, Alessia; Corvasce, Stefano

    2008-01-01

    throughout the genome, leading to viral recombination. Some recombination hotspots have been identified and found to correlate with RNA structure or sequence features. The aim of this study was to evaluate the presence of recombination hotspots in the pol gene of HIV-1 and to assess their correlation......Recombination is recognized as a primary force in human immunodeficiency virus type 1 (HIV-1) evolution, increasing viral diversity through reshuffling of genomic portions. The strand-switching activity of reverse transcriptase is required to complete HIV-1 replication and can occur randomly...... with the underlying RNA structure. Analysis of the recombination pattern and breakpoint distribution in a group of unique recombinant forms (URFs) detected two recombination hotspots in the pol region. Two stable and conserved hairpins were consistently predicted corresponding to the identified hotspots using six...

  4. X-ray crystal structural analysis of the binding site in the ferric and oxyferrous forms of the recombinant heme dehaloperoxidase cloned from Amphitrite ornata.

    Science.gov (United States)

    de Serrano, Vesna; Chen, Zuxu; Davis, Michael F; Franzen, Stefan

    2007-10-01

    The dehaloperoxidase (DHP) from the terebellid polychaete Amphitrite ornata is an enzyme that converts para-halogenated phenols to the corresponding quinones in the presence of hydrogen peroxide. Its enzymatic activity is similar to that of heme peroxidases such as horseradish peroxidase, yet it has the structural characteristics of the globin family of proteins, the main functions of which are oxygen transport and storage. In order to investigate the dual function of this hemoglobin peroxidase, the enzyme was expressed in Escherichia coli as a recombinant protein in its wild-type form and as a mutant protein in which Cys73 was replaced by a serine residue (C73S). Both the wild-type and mutant proteins were crystallized and their structures were determined at 100 K to a resolution of 1.62 A. The structure of the wild-type protein demonstrated that it was in the metaquo form, with the heme iron in the ferric oxidation state and the bound water lying 2.2 A from the heme iron. The structure of the C73S mutant protein was shown to contain a ferrous heme iron with a bound oxygen molecule. The bent bonding geometry of the Fe-O(1)-O(2) adduct results in a hydrogen bond of length 2.8 A between the second O atom, O(2), of molecular oxygen and N(2) of the distal histidine residue (His55) in both subunits contained within the asymmetric unit. This hydrogen-bonding interaction between His55 and the bound diatomic oxygen molecule provides new insight into the catalytic activation of H(2)O(2), which is essential for peroxidase activity.

  5. The solid-state structures of organic salts formed by calix[4]arene dihydroxyphosphonic acid with nucleic bases cations: adeninium, cytosinium, guaninium and uracilium

    KAUST Repository

    Shkurenko, Aleksander

    2018-02-19

    Calix[4]arene dihydroxyphosphonic acid has been demonstrated to possess an interesting range of biological properties, including atypical anti-cancer activity. The robustness of calix[4]arene dihydroxyphosphonic acid and its ubiquitous dimeric motif offers perspectives for pre-defined solid state complexation with small molecules. In the current article we describe co-crystals (organic salts) of calix[4]arene dihydroxyphosphonic acid with four nucleic base cations: adeninium, cytosinium, guaninium and uracilium. A number of characteristic interactions between the components in the four co-crystals are pointed out also using the Hirshfeld surface analysis. All the four co-crystals are based on layers of calix[4]arene dimers, alternating with layers of nucleic acid molecules. Two of the reported crystal structures (cytosinium and guaninium) are 1D channel-type structures, while the two others (adeninium and uracilium) represent 2D channel-type structures. In three out of four reported structures, interactions between the cations of nucleic bases are present generating 1D chains of cations. A constant motif is that the nucleic base is present in a type of cavity formed by one aromatic ring and a phosphonic acid moiety.

  6. Interactions between the physical form of starter (mashed versus textured) and corn silage provision on performance, rumen fermentation, and structural growth of Holstein calves.

    Science.gov (United States)

    Mirzaei, M; Khorvash, M; Ghorbani, G R; Kazemi-Bonchenari, M; Riasi, A; Soltani, A; Moshiri, B; Ghaffari, M H

    2016-02-01

    Introducing forage in the young calf diet during the milk-feeding period stimulates rumen development. It was hypothesized that performance in dairy calves would depend on forage provision and starter physical form such that the textured starter (TS) feed with corn silage (CS) supplementation would benefit calf performance. This study evaluates the effects of the physical form of starter diets and CS supplementation on performance, rumen fermentation characteristics, and structural growth of dairy calves. Forty-eight 3-d-old Holstein dairy calves with a mean starting BW of 42.1 kg (SD 2.4) were used in a 2 × 2 factorial arrangement with the factors dietary CS level (0 or 15% on DM basis) and physical form of starter (mashed vs. textured). Individually housed calves were randomly assigned ( = 12 calves per treatment: 6 males and 6 females) to 4 treatments: 1) a mashed starter (MS) feed with no CS (MS-NCS), 2) a MS feed with CS (MS-CS), 3) a TS feed with no CS (TS-NCS), and 4) a TS feed with CS (TS-CS). The calves had ad libitum access to water and starter throughout the study. All calves were weaned on d 56 of age and remained in the study until d 66. The interaction of the physical form of the starter and CS provision was significant ( intake, with the greatest intake for TS-CS treatment during the preweaning and overall periods. Regardless of the physical form of starter, starter intake, ADG, weaning BW, final BW, ruminal pH, the molar proportion of acetate, and the acetate-to-propionate ratio were greater ( calves compared with unsupplemented calves. No interaction ( > 0.05) was detected between the physical form of starter and CS provision with respect to the rumen fermentation parameters and body measurements. Total rumen VFA concentration and the molar proportion of propionate were greater ( calves fed TS compared with MS-fed calves. In conclusion, independent of the physical form of starter, inclusion of 15% CS in starter diets improves the performance of

  7. Crystal structure and thermal expansion of the low- and high-temperature forms of Ba MIV(PO 4) 2 compounds ( M=Ti, Zr, Hf and Sn)

    Science.gov (United States)

    Bregiroux, D.; Popa, K.; Jardin, R.; Raison, P. E.; Wallez, G.; Quarton, M.; Brunelli, M.; Ferrero, C.; Caciuffo, R.

    2009-05-01

    The crystal structure of β-BaZr(PO 4) 2, archetype of the high-temperature forms of Ba M(PO 4) 2 phosphates (with M=Ti, Zr, Hf and Sn), has been solved ab initio by Rietveld analysis from synchrotron X-ray powder diffraction data. The phase transition appears as a topotactic modification of the monoclinic (S.G. C2/m) lamellar α-structure into a trigonal one (S.G. P3¯m1) through a simple mechanism involving the unfolding of the [Zr)]n2- layers. The thermal expansion is very anisotropic (e.g., -4.1< α i<34.0×10 -6 K -1 in the case of α-BaZr(PO 4) 2) and quite different in the two forms, as a consequence of symmetry. It stems from a complex combination of several mechanisms, involving bridging oxygen rocking in M-O-P linkages, and "bond thermal expansion".

  8. Self-powdering and nonlinear optical domain structures in ferroelastic β‧-Gd2(MoO4)3 crystals formed in glass

    Science.gov (United States)

    Tsukada, Y.; Honma, T.; Komatsu, T.

    2009-08-01

    Ferroelastic β'-Gd 2(MoO 4) 3, (GMO), crystals are formed through the crystallization of 21.25Gd 2O 3-63.75MoO 3-15B 2O 3 glass (mol%), and two scientific curious phenomena are observed. (1) GMO crystals formed in the crystallization break into small pieces with a triangular prism or pyramid shape having a length of 50-500 μm spontaneously during the crystallizations in the inside of an electric furnace, not during the cooling in air after the crystallization. This phenomenon is called "self-powdering phenomenon during crystallization" in this paper. (2) Each self-powdered GMO crystal grain shows a periodic domain structure with different refractive indices, and a spatially periodic second harmonic generation (SHG) depending on the domain structure is observed. It is proposed from polarized micro-Raman scattering spectra and the azimuthal dependence of second harmonic intensities that GMO crystals are oriented in each crystal grain and the orientation of (MoO 4) 2- tetrahedra in GMO crystals changes periodically due to spontaneous strains in ferroelastic GMO crystals.

  9. Personality Inventory for DSM-5-Short Form (PID-5-SF): Reliability, Factorial Structure, and Relationship With Functional Impairment in Dual Diagnosis Patients.

    Science.gov (United States)

    Díaz-Batanero, Carmen; Ramírez-López, Juan; Domínguez-Salas, Sara; Fernández-Calderón, Fermín; Lozano, Óscar M

    2017-11-01

    Section III of the Diagnostic and Statistical Manual of Mental Disorders-Fifth edition ( DSM-5) has generated a personality paradigm consisting of 25 personality facets identified in five domains. The developed assessment instrument Personality Inventory for DSM-5 (PID-5) has showed good psychometric properties, but the potential for certain improvements still remain. In this article, a sample of 282 dual diagnosis patients is used to provide evidence of the psychometric properties of the PID-5-Short Form. The mean value of Cronbach's alpha coefficients reached .73 on the facets and .84 for domains and test-retest values ranged between .57 to .83 for facets and .70 to .87 for the domains. Confirmatory factor analyses conducted showed good fit on both models tested: the five correlated factor structure and hierarchical structure of personality traits. The WHODAS 2.0 domains of understanding and communicating, and participating in society, appear to show the strongest relationship with personality facets. In general, the PID-5-Short Form shows adequate psychometric properties for use in dual diagnosis patients.

  10. Effect of metallographic structure and machining process on the apatite-forming ability of sodium hydroxide- and heat-treated titanium.

    Science.gov (United States)

    Miyazaki, Toshiki; Sasaki, Takashi; Shirosaki, Yuki; Yokoyama, Ken'ichi; Kawashita, Masakazu

    2018-01-01

    Although titanium (Ti) is clinically used for hard tissue reconstruction, it has low bone-bonding ability, i.e. bioactivity. Materials able to deposit apatite on their surfaces within the body is considered to exhibit bioactivity. Effects of the metallographic structure and machining process of Ti on its apatite-forming ability remains unclear. In this study, Ti substrates subjected to various preheating and machining processes were then subjected to NaOH and heat treatments. The apatite-forming abilities of resulting Ti were examined in simulated body fluid (SBF). Preheating of the Ti decreased its reactivity with NaOH solution. When quenched or annealed Ti was subjected to NaOH and heat treatments, the induction period for apatite formation in SBF slightly increased. This was attributed to a decrease in sodium titanate and increase in rutile on the Ti surface after the treatments. Substrates subjected to wire-electrical-discharge machining did not form apatite. This was attributed to the inhibition of PO43- adsorption on their surfaces following Ca2+ adsorption, which is an essential process for apatite nucleation. Contamination of Ti surface by components of the brass wire used in the machining contributed to the inhibition. The bioactivity of surface-modified Ti was therefore significantly affected by its thermal treatment and machining process.

  11. Crystal Structures of Apo and Metal-Bound Forms of the UreE Protein from Helicobacter pylori: Role of Multiple Metal Binding Sites

    Energy Technology Data Exchange (ETDEWEB)

    Shi, Rong; Munger, Christine; Asinas, Abdalin; Benoit, Stephane L.; Miller, Erica; Matte, Allan; Maier, Robert J.; Cygler, Miroslaw (McGill); (Georgia); (Biotech Res.)

    2010-10-22

    The crystal structure of the urease maturation protein UreE from Helicobacter pylori has been determined in its apo form at 2.1 {angstrom} resolution, bound to Cu{sup 2+} at 2.7 {angstrom} resolution, and bound to Ni{sup 2+} at 3.1 {angstrom} resolution. Apo UreE forms dimers, while the metal-bound enzymes are arranged as tetramers that consist of a dimer of dimers associated around the metal ion through coordination by His102 residues from each subunit of the tetramer. Comparison of independent subunits from different crystal forms indicates changes in the relative arrangement of the N- and C-terminal domains in response to metal binding. The improved ability of engineered versions of UreE containing hexahistidine sequences at either the N-terminal or C-terminal end to provide Ni{sup 2+} for the final metal sink (urease) is eliminated in the H102A version. Therefore, the ability of the improved Ni{sup 2+}-binding versions to deliver more nickel is likely an effect of an increased local concentration of metal ions that can rapidly replenish transferred ions bound to His102.

  12. Revealing diversity in structural and biochemical forms of C4 photosynthesis and a C3-C4 intermediate in genus Portulaca L. (Portulacaceae).

    Science.gov (United States)

    Voznesenskaya, Elena V; Koteyeva, Nuria K; Edwards, Gerald E; Ocampo, Gilberto

    2010-08-01

    Portulacaceae is one of 19 families of terrestrial plants in which species having C(4) photosynthesis have been found. Representative species from major clades of the genus Portulaca were studied to characterize the forms of photosynthesis structurally and biochemically. The species P. amilis, P. grandiflora, P. molokiniensis, P. oleracea, P. pilosa, and P. umbraticola belong to the subgenus Portulaca and are C(4) plants based on leaf carbon isotope values, Kranz anatomy, and expression of key C(4) enzymes. Portulaca umbraticola, clade Umbraticola, is NADP-malic enzyme (NADP-ME)-type C(4) species, while P. oleracea and P. molokiniensis in clade Oleracea are NAD-ME-type C(4) species, all having different forms of Atriplicoid-type leaf anatomy. In clade Pilosa, P. amilis, P. grandiflora, and P. pilosa are NADP-ME-type C(4) species. They have Pilosoid-type anatomy in which Kranz tissues enclose peripheral vascular bundles with water storage in the centre of the leaf. Portulaca cf. bicolor, which belongs to subgenus Portulacella, is an NADP-ME C(4) species with Portulacelloid-type anatomy; it has well-developed Kranz chlorenchyma surrounding lateral veins distributed in one plane under the adaxial epidermis with water storage cells underneath. Portulaca cryptopetala (clade Oleracea), an endemic species from central South America, was identified as a C(3)-C(4) based on its intermediate CO(2) compensation point and selective localization of glycine decarboxylase of the photorespiratory pathway in mitochondria of bundle sheath cells. The C(4) Portulaca species which were examined also have cotyledons with Kranz-type anatomy, while the stems of all species have C(3)-type photosynthetic cells. The results indicate that multiple structural and biochemical forms of C(4) photosynthesis evolved in genus Portulaca.

  13. Revealing diversity in structural and biochemical forms of C4 photosynthesis and a C3–C4 intermediate in genus Portulaca L. (Portulacaceae)

    Science.gov (United States)

    Voznesenskaya, Elena V.; Koteyeva, Nuria K.; Edwards, Gerald E.; Ocampo, Gilberto

    2010-01-01

    Portulacaceae is one of 19 families of terrestrial plants in which species having C4 photosynthesis have been found. Representative species from major clades of the genus Portulaca were studied to characterize the forms of photosynthesis structurally and biochemically. The species P. amilis, P. grandiflora, P. molokiniensis, P. oleracea, P. pilosa, and P. umbraticola belong to the subgenus Portulaca and are C4 plants based on leaf carbon isotope values, Kranz anatomy, and expression of key C4 enzymes. Portulaca umbraticola, clade Umbraticola, is NADP-malic enzyme (NADP-ME)-type C4 species, while P. oleracea and P. molokiniensis in clade Oleracea are NAD-ME-type C4 species, all having different forms of Atriplicoid-type leaf anatomy. In clade Pilosa, P. amilis, P. grandiflora, and P. pilosa are NADP-ME-type C4 species. They have Pilosoid-type anatomy in which Kranz tissues enclose peripheral vascular bundles with water storage in the centre of the leaf. Portulaca cf. bicolor, which belongs to subgenus Portulacella, is an NADP-ME C4 species with Portulacelloid-type anatomy; it has well-developed Kranz chlorenchyma surrounding lateral veins distributed in one plane under the adaxial epidermis with water storage cells underneath. Portulaca cryptopetala (clade Oleracea), an endemic species from central South America, was identified as a C3–C4 based on its intermediate CO2 compensation point and selective localization of glycine decarboxylase of the photorespiratory pathway in mitochondria of bundle sheath cells. The C4 Portulaca species which were examined also have cotyledons with Kranz-type anatomy, while the stems of all species have C3-type photosynthetic cells. The results indicate that multiple structural and biochemical forms of C4 photosynthesis evolved in genus Portulaca. PMID:20591900

  14. Structure of an Odorant-Vinding Protein form the Mosquito Aedes aegypti Suggests a Binding Pocket Covered by a pH-Sensitive

    Energy Technology Data Exchange (ETDEWEB)

    N Leite; R Krogh; W Xu; Y Ishida; J Iulek; W Leal; G Oliva

    2011-12-31

    The yellow fever mosquito, Aedes aegypti, is the primary vector for the viruses that cause yellow fever, mostly in tropical regions of Africa and in parts of South America, and human dengue, which infects 100 million people yearly in the tropics and subtropics. A better understanding of the structural biology of olfactory proteins may pave the way for the development of environmentally-friendly mosquito attractants and repellents, which may ultimately contribute to reduction of mosquito biting and disease transmission. Previously, we isolated and cloned a major, female-enriched odorant-binding protein (OBP) from the yellow fever mosquito, AaegOBP1, which was later inadvertently renamed AaegOBP39. We prepared recombinant samples of AaegOBP1 by using an expression system that allows proper formation of disulfide bridges and generates functional OBPs, which are indistinguishable from native OBPs. We crystallized AaegOBP1 and determined its three-dimensional structure at 1.85 {angstrom} resolution by molecular replacement based on the structure of the malaria mosquito OBP, AgamOBP1, the only mosquito OBP structure known to date. The structure of AaegOBP1 (= AaegOBP39) shares the common fold of insect OBPs with six {alpha}-helices knitted by three disulfide bonds. A long molecule of polyethylene glycol (PEG) was built into the electron-density maps identified in a long tunnel formed by a crystallographic dimer of AaegOBP1. Circular dichroism analysis indicated that delipidated AaegOBP1 undergoes a pH-dependent conformational change, which may lead to release of odorant at low pH (as in the environment in the vicinity of odorant receptors). A C-terminal loop covers the binding cavity and this 'lid' may be opened by disruption of an array of acid-labile hydrogen bonds thus explaining reduced or no binding affinity at low pH.

  15. Modular forms

    NARCIS (Netherlands)

    Edixhoven, B.; van der Geer, G.; Moonen, B.; Edixhoven, B.; van der Geer, G.; Moonen, B.

    2008-01-01

    Modular forms are functions with an enormous amount of symmetry that play a central role in number theory, connecting it with analysis and geometry. They have played a prominent role in mathematics since the 19th century and their study continues to flourish today. Modular forms formed the

  16. PP3 forms stable tetrameric structures through hydrophobic interactions via the C-terminal amphipathic helix and undergoes reversible thermal dissociation and denaturation.

    Science.gov (United States)

    Pedersen, Lise R L; Nielsen, Søren B; Hansted, Jon G; Petersen, Torben E; Otzen, Daniel E; Sørensen, Esben S

    2012-01-01

    The milk protein proteose peptone component 3 (PP3), also called lactophorin, is a small phosphoglycoprotein that is expressed exclusively in lactating mammary tissue. The C-terminal part of the protein contains an amphipathic helix, which, upon proteolytic liberation, shows antibacterial activity. Previous studies indicate that PP3 forms multimeric structures and inhibits lipolysis in milk. PP3 is the principal component of the proteose peptone fraction of milk. This fraction is obtained by heating and acidifying skimmed milk, and in the dairy industry milk products are also typically exposed to treatments such as pasteurization, which potentially could result in irreversible denaturation and inactivation of bioactive components. We show here, by the use of CD, that PP3 undergoes reversible thermal denaturation and that the α-helical structure of PP3 remains stable even at gastric pH levels. This suggests that the secondary structure survives treatment during the purification and possibly some of the industrial processing of milk. Finally, asymmetric flow field-flow fractionation and multi-angle light scattering reveal that PP3 forms a rather stable tetrameric complex, which dissociates and unfolds in guanidinium chloride. The cooperative unfolding of PP3 was completely removed by the surfactant n-dodecyl-β-d-maltoside and by oleic acid. We interpret this to mean that the PP3 monomers associate through hydrophobic interactions via the hydrophobic surface of the amphipathic helix. These observations suggest that PP3 tetramers act as reservoirs of PP3 molecules, which in the monomeric state may stabilize the milk fat globule. © 2011 The Authors Journal compilation © 2011 FEBS.

  17. Investigation of the atomic interface structure of mesotaxial Si/CoSi2(100) layers formed by high-dose implantation

    International Nuclear Information System (INIS)

    Bulle-Lieuwma, C.W.T.; Jong, A.F. de; Vandenhoudt, D.E.W.

    1991-01-01

    Aligned mesotaxial films of CoSi 2 in monocrystalline (100) oriented Si substrates have been formed by high-dose ion implantation of Co, followed by a high temperature treatment. The atomic structures of both the lower and upper Si/CoSi 2 (100) interfaces of the buried CoSi 2 layer have been investigated by high-resolution electron microscopy (HREM) combined with image simulations. A domain-like structure is observed consisting of areas with different interfaces. In order to derive the atomic configuration, image simulations of different proposed models are presented. By comparing simulated images and HREM images, two different atomic structure models for the Si/CoSi 2 (100) interface have been found. In the first model the interfacial Co atoms are six-fold coordinated and the tetrahedral coordination and bond lengths of silicon atoms are everywhere maintained. In the second model we found evidence for a 2 x 1 interface reconstruction, involving a difference in composition. The interfacial Co atoms are seven-fold coordinated. It is shown that the boundaries between the domains are associated with interfacial dislocations of edge-type with Burgers vectors b a/4 inclined and b = a/2 parallel to the interfacial plane. (author)

  18. Investigation of R-Factor for steel moment frame combined with cold-formed steel structures under different load patterns using pushover analysis

    Directory of Open Access Journals (Sweden)

    Siavash Sadeghi

    2017-08-01

    Full Text Available The use of Lightweight Steel Frames (LSF has grown considerably in recent years all over the world due to its unique advantages such as being cost-effective and light-weight, easy and quick installment. Another application is to use them in order to increase the number of new floors on the existing buildings. But since the behavior of the combined structure is not clear, there is no possibility of increasing new floors with Lightweight Steel Frames. Therefore, through selecting and modeling three buildings of three, five and seven floors with steel moment frames in SAP2000 software and adding one or two new floors using Lightweight Steel Frames (LSF and conducting a non-linear static analysis with three different lateral load pattern, we dealt with the seismic behavior and determined the behavior coefficient of each of the combined structures. The results indicated that the use of cold-formed structures in order to add story do not have a significant impact on R-factor. In addition, R-factor depends on the type of the side loading pattern.

  19. The crystal structure of Giardia duodenalis 14-3-3 in the apo form: when protein post-translational modifications make the difference.

    Directory of Open Access Journals (Sweden)

    Annarita Fiorillo

    Full Text Available The 14-3-3s are a family of dimeric evolutionary conserved pSer/pThr binding proteins that play a key role in multiple biological processes by interacting with a plethora of client proteins. Giardia duodenalis is a flagellated protozoan that affects millions of people worldwide causing an acute and chronic diarrheal disease. The single giardial 14-3-3 isoform (g14-3-3, unique in the 14-3-3 family, needs the constitutive phosphorylation of Thr214 and the polyglycylation of its C-terminus to be fully functional in vivo. Alteration of the phosphorylation and polyglycylation status affects the parasite differentiation into the cyst stage. To further investigate the role of these post-translational modifications, the crystal structure of the g14-3-3 was solved in the unmodified apo form. Oligomers of g14-3-3 were observed due to domain swapping events at the protein C-terminus. The formation of filaments was supported by TEM. Mutational analysis, in combination with native PAGE and chemical cross-linking, proved that polyglycylation prevents oligomerization. In silico phosphorylation and molecular dynamics simulations supported a structural role for the phosphorylation of Thr214 in promoting target binding. Our findings highlight unique structural features of g14-3-3 opening novel perspectives on the evolutionary history of this protein family and envisaging the possibility to develop anti-giardial drugs targeting g14-3-3.

  20. Structures of the Apo and FAD-bound forms of 2-hydroxybiphenyl 3-monooxygenase (HbpA) locate activity hotspots identified by using directed evolution.

    Science.gov (United States)

    Jensen, Chantel N; Mielke, Tamara; Farrugia, Joseph E; Frank, Annika; Man, Henry; Hart, Sam; Turkenburg, Johan P; Grogan, Gideon

    2015-04-13

    The FAD-dependent monooxygenase HbpA from Pseudomonas azelaica HBP1 catalyses the hydroxylation of 2-hydroxybiphenyl (2HBP) to 2,3-dihydroxybiphenyl (23DHBP). HbpA has been used extensively as a model for studying flavoprotein hydroxylases under process conditions, and has also been subjected to directed-evolution experiments that altered its catalytic properties. The structure of HbpA has been determined in its apo and FAD-complex forms to resolutions of 2.76 and 2.03 Å, respectively. Comparisons of the HbpA structure with those of homologues, in conjunction with a model of the reaction product in the active site, reveal His48 as the most likely acid/base residue to be involved in the hydroxylation mechanism. Mutation of His48 to Ala resulted in an inactive enzyme. The structures of HbpA also provide evidence that mutants achieved by directed evolution that altered activity are comparatively remote from the substrate-binding site. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.