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Sample records for structure formation ii

  1. Flow structure formation in an ion-unmagnetized plasma: The HYPER-II experiments

    Science.gov (United States)

    Terasaka, K.; Tanaka, M. Y.; Yoshimura, S.; Aramaki, M.; Sakamoto, Y.; Kawazu, F.; Furuta, K.; Takatsuka, N.; Masuda, M.; Nakano, R.

    2015-01-01

    The HYPER-II device has been constructed in Kyushu University to investigate the flow structure formation in an ion-unmagnetized plasma, which is an intermediate state of plasma and consists of unmagnetized ions and magnetized electrons. High density plasmas are produced by electron cyclotron resonance heating, and the flow field structure in an inhomogeneous magnetic field is investigated with a directional Langmuir probe method and a laser-induced fluorescence method. The experimental setup has been completed and the diagnostic systems have been installed to start the experiments. A set of coaxial electrodes will be introduced to control the azimuthal plasma rotation, and the effect of plasma rotation to generation of rectilinear flow structure will be studied. The HYPER-II experiments will clarify the overall flow structure in the inhomogeneous magnetic field and contribute to understanding characteristic feature of the intermediate state of plasma.

  2. Changes in the molecular structure of a type II-S kerogen (Monterey Formation, USA) during sequential chemical degradation

    NARCIS (Netherlands)

    Sinninghe Damsté, J.S.; Hold, I.M.; Brussee, N.J.; Schouten, S.

    1998-01-01

    Flash pyrolysis and sequential chemical degradation were combined to study the molecular composition of an immature Type II-S kerogen from the Miocene Monterey Formation. Firstly, base hydrolysis was performed in order to hydrolyse ester bonds, in the second step aliphatic ethers were cleaved and in

  3. The Structure of the Young Star Cluster NGC 6231. II. Structure, Formation, and Fate

    Science.gov (United States)

    Kuhn, Michael A.; Getman, Konstantin V.; Feigelson, Eric D.; Sills, Alison; Gromadzki, Mariusz; Medina, Nicolás; Borissova, Jordanka; Kurtev, Radostin

    2017-12-01

    The young cluster NGC 6231 (stellar ages ˜2-7 Myr) is observed shortly after star formation activity has ceased. Using the catalog of 2148 probable cluster members obtained from Chandra, VVV, and optical surveys (Paper I), we examine the cluster’s spatial structure and dynamical state. The spatial distribution of stars is remarkably well fit by an isothermal sphere with moderate elongation, while other commonly used models like Plummer spheres, multivariate normal distributions, or power-law models are poor fits. The cluster has a core radius of 1.2 ± 0.1 pc and a central density of ˜200 stars pc-3. The distribution of stars is mildly mass segregated. However, there is no radial stratification of the stars by age. Although most of the stars belong to a single cluster, a small subcluster of stars is found superimposed on the main cluster, and there are clumpy non-isotropic distributions of stars outside ˜4 core radii. When the size, mass, and age of NGC 6231 are compared to other young star clusters and subclusters in nearby active star-forming regions, it lies at the high-mass end of the distribution but along the same trend line. This could result from similar formation processes, possibly hierarchical cluster assembly. We argue that NGC 6231 has expanded from its initial size but that it remains gravitationally bound.

  4. Temperature-dependent structural changes in intrinsically disordered proteins: formation of alpha-helices or loss of polyproline II?

    DEFF Research Database (Denmark)

    Kjærgaard, Magnus; Nørholm, Ann-Beth; Hendus-Altenburger, Ruth

    2010-01-01

    temperature, which most likely reflects formation of transient alpha-helices or loss of polyproline II (PPII) content. Using three IDPs, ACTR, NHE1, and Spd1, we show that the temperature-induced structural change is common among IDPs and is accompanied by a contraction of the conformational ensemble...... with increasing temperature, and accordingly these were not responsible for the change in the CD spectra. In contrast, the nonhelical regions exhibited a general temperature-dependent structural change that was independent of long-range interactions. The temperature-dependent CD spectroscopic signature of IDPs...... that has been amply documented can be rationalized to represent redistribution of the statistical coil involving a general loss of PPII conformations....

  5. Redetermination of nickel(II formate dihydrate

    Directory of Open Access Journals (Sweden)

    Matthias Weil

    2018-03-01

    Full Text Available In comparison with the previous structure determination of poly[diaquadi-μ-formato-nickel(II], [Ni(HCOO2(H2O2]n, based on Weissenberg film data [Krogmann & Mattes (1963. Z. Kristallogr. 118, 291–302], the current redetermination from modern CCD data revealed the positions of the H atoms, thus making a detailed description of the hydrogen-bonding pattern possible. Both Ni2+ cations in the crystal structure are located on inversion centres and are octahedrally coordinated. One Ni2+ cation is bound to six O atoms of six formate anions whereas the other Ni2+ cation is bound to four O atoms of water molecules and to two formate O atoms. In this way, the formate anions bridge the two types of Ni2+ cations into a three-dimensional framework. O—H...O hydrogen bonds of medium strength between water molecules and formate O atoms consolidate the packing.

  6. Cu(II) promotes amyloid pore formation

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Hangyu, E-mail: hangyuz@uw.edu [Weldon School of Biomedical Engineering, Purdue University, West Lafayette, IN 47907 (United States); Rochet, Jean-Christophe [Department of Medicinal Chemistry and Molecular Pharmacology, Purdue University, West Lafayette, IN 47907 (United States); Stanciu, Lia A. [Weldon School of Biomedical Engineering, Purdue University, West Lafayette, IN 47907 (United States); School of Materials Engineering, Purdue University, West Lafayette, IN 47907 (United States)

    2015-08-14

    The aggregation of α-synuclein is associated with dopamine neuron death in Parkinson's disease. There is controversy in the field over the question of which species of the aggregates, fibrils or protofibrils, are toxic. Moreover, compelling evidence suggested the exposure to heavy metals to be a risk of PD. Nevertheless, the mechanism of metal ions in promoting PD remains unclear. In this research, we investigated the structural basis of Cu(II) induced aggregation of α-synuclein. Using transmission electron microscopy experiments, Cu(II) was found to promote in vitro aggregation of α-synuclein by facilitating annular protofibril formation rather than fibril formation. Furthermore, neuroprotective baicalein disaggregated annular protofibrils accompanied by considerable decrease of β-sheet content. These results strongly support the hypothesis that annular protofibrils are the toxic species, rather than fibrils, thereby inspiring us to search novel therapeutic strategies for the suppression of the toxic annular protofibril formation. - Highlights: • Cu(II) promoted the annular protofibril formation of α-synuclein in vitro. • Cu(II) postponed the in vitro fibrillization of α-synuclein. • Neuroprotective baicalein disaggregated annular protofibrils.

  7. Cu(II) promotes amyloid pore formation

    International Nuclear Information System (INIS)

    Zhang, Hangyu; Rochet, Jean-Christophe; Stanciu, Lia A.

    2015-01-01

    The aggregation of α-synuclein is associated with dopamine neuron death in Parkinson's disease. There is controversy in the field over the question of which species of the aggregates, fibrils or protofibrils, are toxic. Moreover, compelling evidence suggested the exposure to heavy metals to be a risk of PD. Nevertheless, the mechanism of metal ions in promoting PD remains unclear. In this research, we investigated the structural basis of Cu(II) induced aggregation of α-synuclein. Using transmission electron microscopy experiments, Cu(II) was found to promote in vitro aggregation of α-synuclein by facilitating annular protofibril formation rather than fibril formation. Furthermore, neuroprotective baicalein disaggregated annular protofibrils accompanied by considerable decrease of β-sheet content. These results strongly support the hypothesis that annular protofibrils are the toxic species, rather than fibrils, thereby inspiring us to search novel therapeutic strategies for the suppression of the toxic annular protofibril formation. - Highlights: • Cu(II) promoted the annular protofibril formation of α-synuclein in vitro. • Cu(II) postponed the in vitro fibrillization of α-synuclein. • Neuroprotective baicalein disaggregated annular protofibrils

  8. Data structures II essentials

    CERN Document Server

    Smolarski, Dennis C

    2012-01-01

    REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Data Structures II includes sets, trees, advanced sorting, elementary graph theory, hashing, memory management and garbage collection, and appendices on recursion vs. iteration, alge

  9. Singularities formation, structure, and propagation

    CERN Document Server

    Eggers, J

    2015-01-01

    Many key phenomena in physics and engineering are described as singularities in the solutions to the differential equations describing them. Examples covered thoroughly in this book include the formation of drops and bubbles, the propagation of a crack and the formation of a shock in a gas. Aimed at a broad audience, this book provides the mathematical tools for understanding singularities and explains the many common features in their mathematical structure. Part I introduces the main concepts and techniques, using the most elementary mathematics possible so that it can be followed by readers with only a general background in differential equations. Parts II and III require more specialised methods of partial differential equations, complex analysis and asymptotic techniques. The book may be used for advanced fluid mechanics courses and as a complement to a general course on applied partial differential equations.

  10. Unexpected formation and crystal structure of tetrakis(1H-pyrazole-κN2palladium(II dichloride

    Directory of Open Access Journals (Sweden)

    Thomas Wagner

    2014-12-01

    Full Text Available The title salt, [Pd(C3H4N24]Cl2, was obtained unexpectedly by the reaction of palladium(II dichloride with equimolar amounts of 1-chloro-1-nitro-2,2,2-tris(pyrazolylethane in methanol solution. The Pd2+ cation is located on an inversion centre and has a square-planar coordination sphere defined by four N atoms of four neutral pyrazole ligands. The average Pd—N distance is 2.000 (2 Å. The two chloride anions are not coordinating to Pd2+. They are connected to the complex cations through N—H...Cl hydrogen bonds. In addition, C—H...Cl hydrogen bonds are observed, leading to a three-dimensional linkage of cations and anions.

  11. Formation of localized structures in bistable systems through nonlocal spatial coupling. II. The nonlocal Ginzburg-Landau equation.

    Science.gov (United States)

    Gelens, Lendert; Matías, Manuel A; Gomila, Damià; Dorissen, Tom; Colet, Pere

    2014-01-01

    We study the influence of a linear nonlocal spatial coupling on the interaction of fronts connecting two equivalent stable states in the prototypical 1-dimensional real Ginzburg-Landau equation. While for local coupling the fronts are always monotonic and therefore the dynamical behavior leads to coarsening and the annihilation of pairs of fronts, nonlocal terms can induce spatial oscillations in the front, allowing for the creation of localized structures, emerging from pinning between two fronts. We show this for three different nonlocal influence kernels. The first two, mod-exponential and Gaussian, are positive definite and decay exponentially or faster, while the third one, a Mexican-hat kernel, is not positive definite.

  12. New μ-OAC bridged dinuclear copper(II) complex with tridentate Schiff base ligand: synthesis, characterization, crystal structure, and CuO nano-particles formation

    Czech Academy of Sciences Publication Activity Database

    Grivani, G.; Eigner, Václav; Dušek, Michal; Sadeghi, B.; Khalaji, A.D.

    2015-01-01

    Roč. 41, č. 7 (2015), s. 456-461 ISSN 1070-3284 R&D Projects: GA ČR(CZ) GA14-03276S Institutional support: RVO:68378271 Keywords : Schiff base * complex structure * x-ray crystallography * Jana2006 Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.516, year: 2015

  13. Deployable Composite Structures, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — NASA is seeking innovative structure technologies that will advance expandable modules for orbital and surface based habitats. These secondary structures must...

  14. The structure of metallo-DNA with consecutive thymine-Hg-II-thymine base pairs explains positive entropy for the metallo base pair formation

    Czech Academy of Sciences Publication Activity Database

    Yamaguchi, H.; Šebera, Jakub; Kondo, J.; Oda, S.; Komuro, T.; Kawamura, T.; Dairaku, T.; Kondo, Y.; Okamoto, I.; Ono, A.; Burda, J. V.; Kojima, C.; Sychrovský, Vladimír; Tanaka, Y.

    2014-01-01

    Roč. 42, č. 6 (2014), s. 4094-4099 ISSN 0305-1048 R&D Projects: GA ČR GAP205/10/0228 Institutional support: RVO:61388963 Keywords : NMR structures * mercury * metalation * metal-DNA binding * DFT Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 9.112, year: 2014 http://nar.oxfordjournals.org/content/42/6/4094.full

  15. Microsecond and nanosecond polyproline II helix formation in aqueous nanodrops measured by mass spectrometry.

    Science.gov (United States)

    Mortensen, Daniel N; Williams, Evan R

    2016-10-06

    The 1.5 μs and <400 ns time constants for the formation of polyproline II helix structures in 21 and 16 residue peptides, respectively, are measured using rapid mixing from theta-glass emitters coupled with mass spectrometry. Results from these studies should serve as useful benchmarks for comparison with computational simulation results.

  16. SPMHD simulations of Structure Formation

    Science.gov (United States)

    Barnes, David J.; On, Alvina Y. L.; Wu, Kinwah; Kawata, Daisuke

    2018-02-01

    The intracluster medium of galaxy clusters is permeated by μ {G} magnetic fields. Observations with current and future facilities have the potential to illuminate the role of these magnetic fields play in the astrophysical processes of galaxy clusters. To obtain a greater understanding of how the initial seed fields evolve to the magnetic fields in the intracluster medium requires magnetohydrodynamic simulations. We critically assess the current Smoothed Particle Magneto-Hydrodynamics (SPMHD) schemes, especially highlighting the impact of a hyperbolic divergence cleaning scheme and artificial resistivity switch on the magnetic field evolution in cosmological simulations of the formation of a galaxy cluster using the N-body/SPMHD code GCMHD++. The impact and performance of the cleaning scheme and two different schemes for the artificial resistivity switch is demonstrated via idealized test cases and cosmological simulations. We demonstrate that the hyperbolic divergence cleaning scheme is effective at suppressing the growth of the numerical divergence error of the magnetic field and should be applied to any SPMHD simulation. Although the artificial resistivity is important in the strong field regime, it can suppress the growth of the magnetic field in the weak field regime, such as galaxy clusters. With sufficient resolution, simulations with divergence cleaning can reproduce observed magnetic fields. We conclude that the cleaning scheme alone is sufficient for galaxy cluster simulations, but our results indicate that the SPMHD scheme must be carefully chosen depending on the regime of the magnetic field.

  17. FORMATION OF BINARY COMPLEXES OF Co(II), Ni(II) AND Cu(II ...

    African Journals Online (AJOL)

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    INTRODUCTION. Cobalt(II), nickel(II) and copper(II) are associated with several enzymes [1, 2] and any variation ... amounts (10 mg/day), at higher levels of exposure it shows mutagenic and carcinogenic effects. [13]. Minot and ... Nickel plays numerous roles in the biology of microorganisms and plants [15, 16]. Urease, an.

  18. STAR FORMATION IN LUMINOUS H II REGIONS IN M33

    International Nuclear Information System (INIS)

    Relano, Monica; Kennicutt, Robert C.

    2009-01-01

    We present a multiwavelength (ultraviolet, infrared, optical, and CO) study of a set of luminous H II regions in M33: NGC 604, NGC 595, NGC 592, NGC 588, and IC131. We study the emission distribution in the interiors of the H II regions to investigate the relation between the dust emission at 8 μm and 24 μm and the location of the massive stars and gas. We find that the 24 μm emission is closely related to the location of the ionized gas, while the 8 μm emission is more related to the boundaries of the molecular clouds consistently with its expected association with photodissociation regions. Ultraviolet emission is generally surrounded by the Hα emission. For NGC 604 and NGC 595, where CO data are available, we see a radial gradient of the emission distribution at the wavelengths studied here: from the center to the boundary of the H II regions we observe ultraviolet, Hα, 24 μm, 8 μm, and CO emission distributions. We quantify the star formation for our H II regions using the integrated fluxes at the set of available wavelengths, assuming an instantaneous burst of star formation. We show that a linear combination of 24 μm and Hα emission better describes the star formation for these objects than the dust luminosities by themselves. For NGC 604, we obtain and compare extinction maps derived from the Balmer decrement and from the 24 μm and Hα emission line ratio. Although the maps show locally different values in extinction, we find similar integrated extinctions derived from the two methods. We also investigate here the possible existence of embedded star formation within NGC 604.

  19. Structural control of void formation in dual phase steels

    DEFF Research Database (Denmark)

    Azuma, Masafumi

    The objective of this study is to explore the void formation mechanisms and to clarify the influence of the hardness and structural parameters (volume fraction, size and morphology) of martensite particles on the void formation and mechanical properties in dual phase steels composed of ferrite...... and martensite. Two dual phase steels (Fe-0.099mass%C-1.63mass%Mn and Fe-0.148mass%-1.60mass%Mn) with martensite particles of different hardness values, volume fractions, sizes and shapes were produced by hot rolling and annealing. Mechanical properties were characterised by Vickers hardness and nanohardness...... particles but are not caused by the decohesion of martensite/ferrite interfaces. Three key factors that control the void formation behaviour in dual phase steels have been established: (i) a critical strain for void formation in the martensite, (ii) strain partitioning between the martensite and ferrite...

  20. Formation of a DNA Mini-Dumbbell with a Quasi-Type II Loop.

    Science.gov (United States)

    Liu, Yuan; Guo, Pei; Lam, Sik Lok

    2017-03-30

    Quasi-loops, wherein the backbone has a discontinuous site in the loop, have been found to provide structural flexibility in the formation of DNA three-way junctions. Recently, a highly compact mini-dumbbell (MDB) structure composed of two adjacent CCTG or TTTA type II loops has been reported. Yet, it remains elusive if the presence of a quasi-loop will also facilitate the formation of an MDB. In this study, the possibility of whether an MDB can be formed containing a quasi-type II loop has been investigated. We first demonstrate that two adjacent CTTG type II loops can also form an MDB, which is thermodynamically more stable than those formed by CCTG and TTTA loops. Then, we systematically introduce quasi-type II loops with their discontinuous sites at different backbone positions in the CTTG MDB. Our results show that an MDB can be formed with a quasi-type II loop, in which there is a discontinuous site between the third thymine and the fourth guanine loop residues. The possible inclusion of a quasi-loop in MDBs expands the sequence criteria for the formation of MDBs by natural DNA sequences.

  1. Star Cluster Structure from Hierarchical Star Formation

    Science.gov (United States)

    Grudic, Michael; Hopkins, Philip; Murray, Norman; Lamberts, Astrid; Guszejnov, David; Schmitz, Denise; Boylan-Kolchin, Michael

    2018-01-01

    Young massive star clusters (YMCs) spanning 104-108 M⊙ in mass generally have similar radial surface density profiles, with an outer power-law index typically between -2 and -3. This similarity suggests that they are shaped by scale-free physics at formation. Recent multi-physics MHD simulations of YMC formation have also produced populations of YMCs with this type of surface density profile, allowing us to narrow down the physics necessary to form a YMC with properties as observed. We show that the shallow density profiles of YMCs are a natural result of phase-space mixing that occurs as they assemble from the clumpy, hierarchically-clustered configuration imprinted by the star formation process. We develop physical intuition for this process via analytic arguments and collisionless N-body experiments, elucidating the connection between star formation physics and star cluster structure. This has implications for the early-time structure and evolution of proto-globular clusters, and prospects for simulating their formation in the FIRE cosmological zoom-in simulations.

  2. Galaxy Structure, Dark Matter, and Galaxy Formation

    OpenAIRE

    Weinberg, David H.

    1996-01-01

    The structure of galaxies, the nature of dark matter, and the physics of galaxy formation were the interlocking themes of DM 1996: Dark and Visible Matter in Galaxies and Cosmological Implications. In this conference summary report, I review recent observational and theoretical advances in these areas, then describe highlights of the meeting and discuss their implications. I include as an appendix the lyrics of The Dark Matter Rap: A Cosmological History for the MTV Generation.

  3. The synthesis and origin of the pectic polysaccharide rhamnogalacturonan II – insights from nucleotide sugar formation and diversity

    Directory of Open Access Journals (Sweden)

    Maor eBar-Peled

    2012-05-01

    Full Text Available There is compelling evidence showing that the structurally complex pectic polysaccharide rhamnogalacturonan II (RG-II exists in the primary cell wall as a borate cross-linked dimer and that this dimer is required for the assembly of a functional wall and for normal plant growth and development. The results of several studies have also established that RG-II structure and cross-linking is conserved in vascular plants and that RG-II likely appeared early in the evolution of land plants. Two features that distinguish RG-II from other plant polysaccharides are that RG-II contains 13 different glycoses linked to each other by 22 different glycosidic linkages and that RG-II is the only polysaccharide known to contain apiose and aceric acid. Thus, one key event in land plant evolution was the emergence of genes encoding nucleotide sugar-biosynthetic enzymes that generate the activated forms of apiose and aceric acid required for RG-II synthesis. Many of the genes involved in the generation of the nucleotide sugars used for RG-II synthesis have been functionally characterized. By contrast, only one putative glycosyltransferase involved in the assembly of RG-II has been identified. Here we provide an overview of the formation of the activated sugars required for RG-II synthesis and point to the possible cellular and metabolic processes that could be involved in assembling and controlling the formation of a borate cross-linked RG-II molecule. We discuss how nucleotide sugar synthesis is compartmentalized and how this may control the flux of precursors to facilitate and regulate the formation of RG-II.

  4. The Mechanism of Redox Reaction between Palladium(II Complex Ions and Potassium Formate in Acidic Aqueous Solution

    Directory of Open Access Journals (Sweden)

    Wojnicki M.

    2017-06-01

    Full Text Available The kinetics studies of redox reaction between palladium(II chloride complex ions and potassium formate in acidic aqueous solutions was investigated. It was shown, that the reduction reaction of Pd(II is selective in respect to Pd(II complex structure. The kinetic of the process was monitored spectrophotometrically. The influence of chloride ions concentration, Pd(II initial concentration, reductant concentration, ionic strength as well as the temperature were investigated in respect to the process dynamics. Arrhenius equation parameters were determined and are equal to 65.8 kJ/mol, and A = 1.12×1011 s−1.

  5. STRUCTURE FORMATION IN FOUNDATION SLAB CONCRETE

    Directory of Open Access Journals (Sweden)

    V. V. Kovalenko

    2016-04-01

    Full Text Available Purpose. The work involves identifying the dependence of structural and mechanical properties of the concrete on the composition of used modifier additives, the nature of changes of structural and mechanical properties depending on the period of concrete hardening of test and modified samples. Methodology. The applied microstructural, fractographic, microprobe analyses and physico-mechanical tests revealed the required dependencies. Findings. The microstructure of the cement stone under equal conditions of concrete mix selection depends on the composition of used raw materials and production technology. This paper investigates the structural changes in the setting time of hard mixture concrete and effect of component parts of the complex modifier additive PLKP (produced by «Logia», Dnepropetrovsk on morphology, dispersion and chemical composition of the cement stone, as well as the mechanical characteristics of concrete for the foundation slab. The study of the structural and physical-mechanical characteristics of the test samples and modified concrete at various hardening stages showed that the use Ukrainian hyper-plasticizer PLKP contributes to the formation of nano-structured concrete. The addition of hardening accelerators to the super-plasticizer additive reduces the diameter of crystal whiskers, increases the structural homogeneity and stability and improves the complex of the concrete mechanical characteristics. Application of new PLKP polycarboxylate additives in the production of concrete mixtures for the foundation slab allows eliminating the steaming from the foundation slab production technology. The absence of salt component in the additive improves the concrete durability. Originality. The paper showed that modification of the concrete with complex additive PLKP facilitates the formation of the most homogeneous structure of cement stone, which consists of compact crystals surrounded by fibrous crystals that are tightly

  6. Jupiter's formation and its primordial internal structure

    OpenAIRE

    Lozovsky, Michael; Helled, Ravit; Rosenberg, Eric D.; Bodenheimer, Peter

    2017-01-01

    The composition of Jupiter and the primordial distribution of the heavy elements are determined by its formation history. As a result, in order to constrain the primordial internal structure of Jupiter the growth of the core and the deposition and settling of accreted planetesimals must be followed in detail. In this paper we determine the distribution of the heavy elements in proto-Jupiter and determine the mass and composition of the core. We find that while the outer envelope of proto-Jupi...

  7. The formation of structure in the Universe

    CERN Document Server

    Efstathiou, G P

    1995-01-01

    The discovery of temperature anisotropies in the microwave background radiation by the COBE satellite provides the first direct detection of fluctuations in the early universe. I will review more recent experiments, espacially those designed to detect anisotropies on angular scales of less than a degree,corresponding to fluctuations with physical sizes of superclusters of galaxies. I will describe the COBRAS/SAMBA satellite that is under consideration by ESA for possible launch in 2003 and show how measurements of the background anisotropies can be linked with observations of the present day galaxy ditribution to construct models of structure formation extending from the very early universe to the present day.

  8. Modulated structure formation in demixing paraffin blends

    CERN Document Server

    Gilbert, E P

    2002-01-01

    Small angle scattering (SANS and SAXS) and differential scanning calorimetry have been measured from C sub 2 sub 8 :C sub 3 sub 6 normal paraffin mixtures of varying composition quenched from the melt. Satellite peaks are observed in the SAXS whose offset in Q, relative to Bragg diffraction peaks associated with the average structure, are composition dependent. The offset is close to the position of the most intense peak observed in SANS. Scattering from the quenched structures is consistent with a correlated displacement and substitutional disorder model yielding modulations that are incommensurate with the average lattice. DSC shows an additional endotherm in the mixtures that is not present in the pure components and is associated with this superstructure formation. (orig.)

  9. Crystal structure of bis(4-acetylanilinium tetrachloridomercurate(II

    Directory of Open Access Journals (Sweden)

    Manickam Thairiyaraja

    2015-12-01

    Full Text Available The structure of the title salt, (C8H10NO2[HgCl4], is isotypic with that of the cuprate(II and cobaltate(II analogues. The asymmetric unit contains one 4-acetylanilinium cation and one half of a tetrachloridomercurate(II anion (point group symmetry m. The Hg—Cl distances are in the range 2.4308 (7–2.5244 (11 Å and the Cl—Hg—Cl angles in the range of 104.66 (2–122.94 (4°, indicating a considerable distortion of the tetrahedral anion. In the crystal, cations are linked by an intermolecular N—H...O hydrogen-bonding interaction, leading to a C(8 chain motif with the chains extending parallel to the b axis. There is also a π–π stacking interaction with a centroid-to-centroid distance of 3.735 (2 Å between neighbouring benzene rings along this direction. The anions lie between the chains and interact with the cations through intermolecular N—H...Cl hydrogen bonds, leading to the formation of a three-dimensional network structure.

  10. Structural alteration of hexagonal birnessite by aqueous Mn(II): Impacts on Ni(II) sorption

    Energy Technology Data Exchange (ETDEWEB)

    Lefkowitz, Joshua P.; Elzinga, Evert J.

    2017-09-01

    We studied the impacts of aqueous Mn(II) (1 mM) on the sorption of Ni(II) (200 μM) by hexagonal birnessite (0.1 g L- 1) at pH 6.5 and 7.5 with batch experiments and XRD, ATR-FTIR and Ni K-edge EXAFS analyses. In the absence of Mn(II)aq, sorbed Ni(II) was coordinated predominantly as triple corner-sharing complexes at layer vacancies at both pH values. Introduction of Mn(II)aq into Ni(II)-birnessite suspensions at pH 6.5 caused Ni(II) desorption and led to the formation of edge-sharing Ni(II) complexes. This was attributed to competitive displacement of Ni(II) from layer vacancies by either Mn(II) or by Mn(III) formed through interfacial Mn(II)-Mn(IV) comproportionation, and/or incorporation of Ni(II) into the birnessite lattice promoted by Mn(II)-catalyzed recrystallization of the sorbent. Similar to Mn(II)aq, the presence of HEPES or MES caused the formation of edge-sharing Ni(II) sorption complexes in Ni(II)-birnessite suspensions, which was attributed to partial reduction of the sorbent by the buffers. At pH 7.5, interaction with aqueous Mn(II) caused reductive transformation of birnessite into secondary feitknechtite that incorporated Ni(II), enhancing removal of Ni(II) from solution. These results demonstrate that reductive alteration of phyllomanganates may significantly affect the speciation and solubility of Ni(II) in anoxic and suboxic environments.

  11. PROPERTY OF THE LARGE FORMAT DIGITAL AERIAL CAMERA DMC II

    Directory of Open Access Journals (Sweden)

    K. Jacobsen

    2012-07-01

    Full Text Available Z/I Imaging introduced with the DMC II 140, 230 and 250 digital aerial cameras with a very large format CCD for the panchromatic channel. The CCDs have with 140 / 230 / 250 mega pixel a size not available in photogrammetry before. CCDs in general have a very high relative accuracy, but the overall geometry has to be checked as well as the influence of not flat CCDs. A CCD with a size of 96mm × 82mm must have a flatness or knowledge of flatness in the range of 1μm if the camera accuracy in the range of 1.3μm shall not be influenced. The DMC II cameras have been evaluated with three different flying heights leading to 5cm, 9cm and 15cm or 20cm GSD, crossing flight lines and 60% side lap. The optimal test conditions guaranteed the precise determination of the object coordinates as well as the systematic image errors. All three camera types show only very small systematic image errors, ranging in the root mean square between 0.12μm up to 0.3μm with extreme values not exceeding 1.6μm. The remaining systematic image errors, determined by analysis of the image residuals and not covered by the additional parameters, are negligible. A standard deviation of the object point heights below the GSD, determined at independent check points, even in blocks with just 20% side lap and 60% end lap is standard. Corresponding to the excellent image geometry the object point coordinates are only slightly influenced by the self calibration. For all DMCII types the handling of image models for data acquisition must not be supported by an improvement of the image coordinates by the determined systematic image errors. Such an improvement up to now is not standard for photogrammetric software packages. The advantage of a single monolithic CCD is obvious. An edge analysis of pan-sharpened DMC II 250 images resulted in factors for the effective resolution below 1.0. The result below 1.0 is only possible by contrast enhancement, but this requires with low image noise

  12. Structure formation cosmic rays: Identifying observational constraints

    Directory of Open Access Journals (Sweden)

    Prodanović T.

    2005-01-01

    Full Text Available Shocks that arise from baryonic in-fall and merger events during the structure formation are believed to be a source of cosmic rays. These "structure formation cosmic rays" (SFCRs would essentially be primordial in composition, namely, mostly made of protons and alpha particles. However, very little is known about this population of cosmic rays. One way to test the level of its presence is to look at the products of hadronic reactions between SFCRs and the ISM. A perfect probe of these reactions would be Li. The rare isotope Li is produced only by cosmic rays, dominantly in αα → 6Li fusion reactions with the ISM helium. Consequently, this nuclide provides a unique diagnostic of the history of cosmic rays. Exactly because of this unique property is Li affected most by the presence of an additional cosmic ray population. In turn, this could have profound consequences for the Big-Bang nucleosynthesis: cosmic rays created during cosmic structure formation would lead to pre-Galactic Li production, which would act as a "contaminant" to the primordial 7Li content of metalpoor halo stars. Given the already existing problem of establishing the concordance between Li observed in halo stars and primordial 7Li as predicted by the WMAP, it is crucial to set limits to the level of this "contamination". However, the history of SFCRs is not very well known. Thus we propose a few model-independent ways of testing the SFCR species and their history, as well as the existing lithium problem: 1 we establish the connection between gamma-ray and Li production, which enables us to place constraints on the SFCR-made lithium by using the observed Extragalactic Gamma-Ray Background (EGRB; 2 we propose a new site for testing the primordial and SFCR-made lithium, namely, low-metalicity High-Velocity Clouds (HVCs, which retain the pre-Galactic composition without any significant depletion. Although using one method alone may not give us strong constraints, using them in

  13. Small scale structure formation in chameleon cosmology

    International Nuclear Information System (INIS)

    Brax, Ph.; Bruck, C. van de; Davis, A.C.; Green, A.M.

    2006-01-01

    Chameleon fields are scalar fields whose mass depends on the ambient matter density. We investigate the effects of these fields on the growth of density perturbations on sub-galactic scales and the formation of the first dark matter halos. Density perturbations on comoving scales R<1 pc go non-linear and collapse to form structure much earlier than in standard ΛCDM cosmology. The resulting mini-halos are hence more dense and resilient to disruption. We therefore expect (provided that the density perturbations on these scales have not been erased by damping processes) that the dark matter distribution on small scales would be more clumpy in chameleon cosmology than in the ΛCDM model

  14. Dynamic membrane structure induces temporal pattern formation.

    Science.gov (United States)

    Lippoldt, J; Händel, C; Dietrich, U; Käs, J A

    2014-10-01

    The understanding of temporal pattern formation in biological systems is essential for insights into regulatory processes of cells. Concerning this problem, the present work introduces a model to explain the attachment/detachment cycle of MARCKS and PKC at the cell membrane, which is crucial for signal transduction processes. Our model is novel with regard to its driving mechanism: Structural changes within the membrane fuel an activator-inhibitor based global density oscillation of membrane related proteins. Based on simulated results of our model, phase diagrams were generated to illustrate the interplay of MARCKS and PKC. They predict the oscillatory behavior in the form of the number of peaks, the periodic time, and the damping constant depending on the amounts of MARCKS and PKC, respectively. The investigation of the phase space also revealed an unexpected intermediate state prior to the oscillations for high amounts of MARCKS in the system. The validation of the obtained results was carried out by stability analysis, which also accounts for further enhanced understanding of the studied system. It was shown, that the occurrence of the oscillating behavior is independent of the diffusion and the consumption of the reactants. The diffusion terms in the used reaction-diffusion equations only act as modulating terms and are not required for the oscillation. The hypothesis of our work suggests a new mechanism of temporal pattern formation in biological systems. This mechanism includes a classical activator-inhibitor system, but is based on the modifications of the membrane structure, rather than a reaction-diffusion system. Copyright © 2014 Elsevier B.V. All rights reserved.

  15. Effects of angiotensin II and angiotensin II type 1 receptor blockade on neointimal formation after stent implantation

    NARCIS (Netherlands)

    Groenewegen, Hendrik C.; van der Harst, Pim; Roks, Anton J. M.; Buikema, Hendrik; Zijlstra, Felix; van Gilst, Wiek H.; de Smet, Bart J. G. L.

    2008-01-01

    Background: To evaluate the effect of supraphysiological levels of angiotensin II and selective angiotensin II type 1 receptor ( AT1-receptor) blockade on neointimal formation and systemic endothelial function after stent implantation in the rat abdominal aorta. Methods: Male Wistar rats were

  16. Formation of Calcite Biocrystals; Structure and Formation of Matrix Glycoproteins

    National Research Council Canada - National Science Library

    Lennarz, William

    1997-01-01

    .... In these organisms, including the primitive skeleton (spicule) of the sea urchin embryo, the structural and functional role of these proteins either in the biomineralization process or in control of the structural features of the biocrystals is unclear...

  17. Sub-structure formation in starless cores

    Science.gov (United States)

    Toci, C.; Galli, D.; Verdini, A.; Del Zanna, L.; Landi, S.

    2018-02-01

    Motivated by recent observational searches of sub-structure in starless molecular cloud cores, we investigate the evolution of density perturbations on scales smaller than the Jeans length embedded in contracting isothermal clouds, adopting the same formalism developed for the expanding Universe and the solar wind. We find that initially small amplitude, Jeans-stable perturbations (propagating as sound waves in the absence of a magnetic field) are amplified adiabatically during the contraction, approximately conserving the wave action density, until they either become non-linear and steepen into shocks at a time tnl, or become gravitationally unstable when the Jeans length decreases below the scale of the perturbations at a time tgr. We evaluate analytically the time tnl at which the perturbations enter the non-linear stage using a Burgers' equation approach, and we verify numerically that this time marks the beginning of the phase of rapid dissipation of the kinetic energy of the perturbations. We then show that for typical values of the rms Mach number in molecular cloud cores, tnl is smaller than tgr, and therefore density perturbations likely dissipate before becoming gravitational unstable. Solenoidal modes grow at a faster rate than compressible modes, and may eventually promote fragmentation through the formation of vortical structures.

  18. Diagnosing delayed ettringite formation in concrete structures

    International Nuclear Information System (INIS)

    Thomas, Michael; Folliard, Kevin; Drimalas, Thano; Ramlochan, Terry

    2008-01-01

    There has been a number of cases involving deteriorated concrete structures in North America where there has been considerable controversy surrounding the respective contributions of alkali-silica reaction (ASR) and delayed ettringite formation (DEF) to the observed damage. The problem arises because the macroscopic symptoms of distress are not unequivocal and microscopical examinations of field samples often reveal evidence of both processes making it difficult to separate the individual contributions. This paper presents the results of an investigation of a number of concrete columns carrying a raised expressway in North America; prior studies had implicated both DEF and ASR as possible causes of deterioration. Although the columns were not deliberately heat-cured, it is estimated that the peak internal temperature would have exceeded 70 deg. C and perhaps even 80 deg. C, in some cases. The forensic investigation included scanning electron microscopy with energy-dispersive X-ray analysis and expansion testing of cores extracted from the structure. Small-diameter cores stored in limewater expanded significantly (0.3 to 1.3%) and on the basis of supplementary tests on laboratory-produced concrete specimens it was concluded that expansion under such conditions is caused by DEF as the conditions of the test will not sustain ASR. In at least one column, DEF was diagnosed as the sole contributory cause of damage with no evidence of any contribution from ASR or any other deterioration process. In other cases, both ASR and DEF were observed to have contributed to the apparent damage. Of the columns examined, only concrete containing fly ash appeared to be undamaged. The results of this study confirm that, under certain conditions, the process of DEF (acting in isolation of other processes) can result in significant deterioration of cast-in-place reinforced concrete structures

  19. Formation of iron (hydr)oxides during the abiotic oxidation of Fe(II) in the presence of arsenate.

    Science.gov (United States)

    Song, Jia; Jia, Shao-Yi; Yu, Bo; Wu, Song-Hai; Han, Xu

    2015-08-30

    Abiotic oxidation of Fe(II) is a common pathway in the formation of Fe (hydr)oxides under natural conditions, however, little is known regarding the presence of arsenate on this process. In hence, the effect of arsenate on the precipitation of Fe (hydr)oxides during the oxidation of Fe(II) is investigated. Formation of arsenic-containing Fe (hydr)oxides is constrained by pH and molar ratios of As:Fe during the oxidation Fe(II). At pH 6.0, arsenate inhibits the formation of lepidocrocite and goethite, while favors the formation of ferric arsenate with the increasing As:Fe ratio. At pH 7.0, arsenate promotes the formation of hollow-structured Fe (hydr)oxides containing arsenate, as the As:Fe ratio reaches 0.07. Arsenate effectively inhibits the formation of magnetite at pH 8.0 even at As:Fe ratio of 0.01, while favors the formation of lepidocrocite and green rust, which can be latterly degenerated and replaced by ferric arsenate with the increasing As:Fe ratio. This study indicates that arsenate and low pH value favor the slow growth of dense-structured Fe (hydr)oxides like spherical ferric arsenate. With the rapid oxidation rate of Fe(II) at high pH, ferric (hydr)oxides prefer to precipitate in the formation of loose-structured Fe (hydr)oxides like lepidocrocite and green rust. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Consensus formation on coevolving networks: groups' formation and structure

    International Nuclear Information System (INIS)

    Kozma, Balazs; Barrat, Alain

    2008-01-01

    We study the effect of adaptivity on a social model of opinion dynamics and consensus formation. We analyse how the adaptivity of the network of contacts between agents to the underlying social dynamics affects the size and topological properties of groups and the convergence time to the stable final state. We find that, while on static networks these properties are determined by percolation phenomena, on adaptive networks the rewiring process leads to different behaviors: adaptive rewiring fosters group formation by enhancing communication between agents of similar opinion, though it also makes possible the division of clusters. We show how the convergence time is determined by the characteristic time of link rearrangement. We finally investigate how the adaptivity yields nontrivial correlations between the internal topology and the size of the groups of agreeing agents

  1. Madumycin II inhibits peptide bond formation by forcing the peptidyl transferase center into an inactive state

    Energy Technology Data Exchange (ETDEWEB)

    Osterman, Ilya A.; Khabibullina, Nelli F.; Komarova, Ekaterina S.; Kasatsky, Pavel; Kartsev, Victor G.; Bogdanov, Alexey A.; Dontsova, Olga A.; Konevega, Andrey L.; Sergiev, Petr V.; Polikanov, Yury S. (InterBioScreen); (UIC); (MSU-Russia); (Kurchatov)

    2017-05-13

    The emergence of multi-drug resistant bacteria is limiting the effectiveness of commonly used antibiotics, which spurs a renewed interest in revisiting older and poorly studied drugs. Streptogramins A is a class of protein synthesis inhibitors that target the peptidyl transferase center (PTC) on the large subunit of the ribosome. In this work, we have revealed the mode of action of the PTC inhibitor madumycin II, an alanine-containing streptogramin A antibiotic, in the context of a functional 70S ribosome containing tRNA substrates. Madumycin II inhibits the ribosome prior to the first cycle of peptide bond formation. It allows binding of the tRNAs to the ribosomal A and P sites, but prevents correct positioning of their CCA-ends into the PTC thus making peptide bond formation impossible. We also revealed a previously unseen drug-induced rearrangement of nucleotides U2506 and U2585 of the 23S rRNA resulting in the formation of the U2506•G2583 wobble pair that was attributed to a catalytically inactive state of the PTC. The structural and biochemical data reported here expand our knowledge on the fundamental mechanisms by which peptidyl transferase inhibitors modulate the catalytic activity of the ribosome.

  2. EPR study of complex formation between copper (II) ions and sympathomimetic amines in aqueous solution

    Energy Technology Data Exchange (ETDEWEB)

    Preoteasa, E.A. [Inst. of Atomic Physics, IFIN, Bucharest (Romania); Duliu, O.G.; Grecu, V.V. [Bucharest, Univ. (Romania). Dept. of Atomic and Nuclear Physics

    1997-07-01

    The complex formation between sympathomimetic amines (SA): adrenaline (AD), noradrenaline (NA), dopamine (DA), ephedrine (ED) and p-tyramine (pTA), and Cu(II) ion in aqueous solution has been studied by X-band EPR at room temperature. Excepting pTA, all investigated SA yielded two types of complexes in different pH domains. All complexes consistent with a ligand fields having a distorted octahedral symmetry, i.e., hexacoordination of Cu(II). The covalence coefficient calculated from the isotropic g and A values has shown strong ionic sigma-type ligand bonds. A structural model with the Cu(II) ion bound by four catecholic O(hydroxy) atoms for the low pH complexes of AD, NA and DA is proposed. For the high pH complexes of the former compounds as well as for both Ed complexes, the authors suppose Cu(II) bound by two N (amino) and two O (hydroxy) atoms. The spectra are consistent to water binding on the longitudinal octahedron axis in all compounds excepting the high pH complex of Ed, where OH2- ions are bound. Possible implications for the SA-cell receptors interactions are discussed.

  3. Melanoidin formation in ethanolic monosaccharide – arylamine – copper (II systems

    Directory of Open Access Journals (Sweden)

    Cherepanov I. S.

    2017-09-01

    Full Text Available Results of studying of melanoidin formation regularities at interaction of D-glucose and D-xylose with p-amino benzoic acid (PABA in acidic ethanolic media have been presented; features of the chosen threefold systems are, firstly, existence of the low-active amino-compound of benzene series, secondly, presence of catalytic amounts of the biogenic metal. Regularities of melanoidins structure formation from similar systems are almost not studied, at the same time some important biological properties are predicted for them that demands research of reactions' kinetics and development of techniques of their directional synthesis. Studying has been carried out by synthetic methods in total with a sample drawing technique with UV-Vis-spectrophotometry filing and engaging of FTIR-spectroscopy. Based on electronic spectra analysis more intensive melanoidin formation in case of reaction from D-xylose has been shown, this can be bound to steric hindrance and to ability of aldopentoses to give more reactionary capable intermediates in comparison with aldohexoses. The accelerating role of copper (II ions as the complexing center catalyzing both formation and degradation of the intermediate products at different reaction stages has been confirmed, at the same time the accelerating action is considerably shown since copper ion concentrations about 60 mg/l, but Cu(II chelation degree by final products is low. The effect of solvent has been noted, in particular the influence of ethanol on nature of amino-carbonyl interactions manifested in strengthening of carbohydrates tendency to re-cyclization, it also probably accelerates melanoidin formation. The data obtained have shown the percent of carbohydrates direct destruction (caramelization in the presented conditions is insignificant, that allows developing based on the present researches target synthetic techniques for melanoidin products' preparation.

  4. Dissociation behavior of methane--ethane mixed gas hydrate coexisting structures I and II.

    Science.gov (United States)

    Kida, Masato; Jin, Yusuke; Takahashi, Nobuo; Nagao, Jiro; Narita, Hideo

    2010-09-09

    Dissociation behavior of methane-ethane mixed gas hydrate coexisting structures I and II at constant temperatures less than 223 K was studied with use of powder X-ray diffraction and solid-state (13)C NMR techniques. The diffraction patterns at temperatures less than 203 K showed both structures I and II simultaneously convert to Ih during the dissociation, but the diffraction pattern at temperatures greater than 208 K showed different dissociation behavior between structures I and II. Although the diffraction peaks from structure II decreased during measurement at constant temperatures greater than 208 K, those from structure I increased at the initial step of dissociation and then disappeared. This anomalous behavior of the methane-ethane mixed gas hydrate coexisting structures I and II was examined by using the (13)C NMR technique. The (13)C NMR spectra revealed that the anomalous behavior results from the formation of ethane-rich structure I. The structure I hydrate formation was associated with the dissociation rate of the initial methane-ethane mixed gas hydrate.

  5. Formation of disorientations in dislocation structures during plastic deformation

    DEFF Research Database (Denmark)

    Pantleon, W.

    2002-01-01

    Disorientations developing during plastic deformation in dislocation structures are investigated. Based on expected mechanisms for the formation of different types of dislocation boundaries (statistical trapping of dislocations or differently activated slip systems) the formation of the disorient......Disorientations developing during plastic deformation in dislocation structures are investigated. Based on expected mechanisms for the formation of different types of dislocation boundaries (statistical trapping of dislocations or differently activated slip systems) the formation...

  6. Spiral Structure and Global Star Formation Processes in M 51

    Science.gov (United States)

    Gruendl, Robert A.

    1994-12-01

    The nearby grand design spiral galaxy, M 51, is an obvious proving ground for studies of spiral structure and large scale star formation processes. New near--infrared observations of M 51 made with COB (Cryogenic Optical Bench) on the Kitt Peak 1.3m allow us to examine the stellar distribution and the young star formation regions as well as probe regions of high extinction such as dust lanes. We also present an analysis of the kinematics of the ionized gas observed with the Maryland--Caltech Imaging Fabry Perot. The color information we derive from the near--infrared bands provides a more accurate tracer of extinction than optical observations. We find that the dust extinction and CO emission in the arms are well correlated. Our kinematic data show unambiguously that these dense gas concentrations are associated with kinematic perturbations. In the inner disk, these perturbations are seen to be consistent with the streaming motions predicted by classical density wave theory. The dust lanes, and presumably the molecular arms, form a narrow ridge that matches these velocity perturbations wherever the viewing angle is appropriate. This interpretation requires that the corotation radius be inward of the outer tidal arms. The outer tidal arms however show streaming velocities of the sign that would be expected interior to the corotation point. This can be reconciled if the outer arms are part of a second spiral pattern, most likely due to the interaction with the companion NGC 5195. The near--infrared observations also show emission from the massive star forming regions. These observations are less affected by extinction than optical observations of H II regions and show clearly that the sites of massive star formation are correlated with but downstream from the concentrations of dense molecular material. This provides clear evidence that the ISM has been organized by the streaming motions which have in turn triggered massive star formation.

  7. Structural Properties of MHC Class II Ligands, Implications for the Prediction of MHC Class II Epitopes

    DEFF Research Database (Denmark)

    Jørgensen, Kasper Winther; Buus, Søren; Nielsen, Morten

    2010-01-01

    Major Histocompatibility class II (MHC-II) molecules sample peptides from the extracellular space allowing the immune system to detect the presence of foreign microbes from this compartment. Prediction of MHC class II ligands is complicated by the open binding cleft of the MHC class II molecule...... properties of MHC class II ligands. Here, we perform one such large-scale analysis. A large set of SYFPEITHI MHC class II ligands covering more than 20 different HLA-DR molecules was analyzed in terms of their secondary structure and surface exposure characteristics in the context of the native structure...... of the corresponding source protein. We demonstrated that MHC class II ligands are significantly more exposed and have significantly more coil content than other peptides in the same protein with similar predicted binding affinity. We next exploited this observation to derive an improved prediction method for MHC...

  8. Structure of ruthenium(II) complexes with coproporphyrin I tetraethyl ester

    Science.gov (United States)

    Zverev, S. A.; Andreev, S. V.; Zamilatskov, I. A.; Kurochkina, N. M.; Tyurin, V. S.; Senchikhin, I. N.; Ponomarev, G. V.; Erzina, D. R.; Chernyshev, V. V.

    2017-08-01

    The reaction between coproporphyrin I tetraethyl ester and ruthenium(II) dodecacarbonyl in toluene is investigated. The formation of two different products, complexes 2 and 3 of ruthenium(II) with coproporphyrin I tetraethyl ester, studied by means of mass spectrometry, electronic absorption spectroscopy, NMR, X-ray diffraction, and thermogravimetric analysis, is revealed. Structures are proposed for the products, of which ( 2) is a monocarbonyl complex of ruthenium(II) porphyrin that exists as a coordination polymer formed owing to intermolecular axial bonding between the oxygen atoms of carboethoxyl groups and ruthenium(II). The structure proposed for second product ( 3) is in the form of the corresponding monomer of a monocarbonyl complex of ruthenium(II) porphyrin. It is established that polymeric complex 2 transforms into monomeric complex 3 when it is heating in pyridine.

  9. Origins of Water Molecules in the Photosystem II Crystal Structure.

    Science.gov (United States)

    Sakashita, Naoki; Watanabe, Hiroshi C; Ikeda, Takuya; Saito, Keisuke; Ishikita, Hiroshi

    2017-06-20

    The cyanobacterial photosystem II (PSII) crystal structure includes more than 1300 water molecules in each monomer unit; however, their precise roles in water oxidation are unclear. To understand the origins of water molecules in the PSII crystal structure, the accessibility of bulk water molecules to channel inner spaces in PSII was investigated using the water-removed PSII structure and molecular dynamics (MD) simulations. The inner space of the channel that proceeds toward the D1-Glu65/D2-Glu312 pair (E65/E312 channel) was entirely filled with water molecules from the bulk region. In the same channel, a diamond-shaped cluster of water molecules formed near redox-active TyrZ in MD simulations. Reorientation of the D2-Leu352 side chain resulted in formation of a hexagonal water network at the Cl - 2 binding site. Water molecules could not enter the main region of the O4-water chain, which proceeds from the O4 site of the Mn 4 CaO 5 cluster. However, in the O4-water chain, the two water binding sites that are most distant from the protein bulk surface were occupied by water molecules that approached along the E65/E312 channel, one of which formed an H-bond with the O4 site. These findings provide key insights into the significance of the channel ends, which may utilize water molecules during the PSII photocycle.

  10. Formation of a mixed Fe(II)-Zn-Al layered hydroxide: Effects of Zn co-sorption on Fe(II) layered hydroxide formation and kinetics

    Energy Technology Data Exchange (ETDEWEB)

    Starcher, Autumn N.; Elzinga, Evert J.; Sparks, Donald L.

    2017-08-01

    Previous research demonstrated the formation of single divalent metal (Co, Ni, and ZnAl) and mixed divalent metal (NiZnAl) layered double hydroxide (LDH) phases from reactions of the divalent metal with Al-bearing substrates and soils in both laboratory experiments and in the natural environment. Recently Fe(II)-Al-LDH phases have been found in laboratory batch reaction studies, and although they have yet to be found in the natural environment. Potential locations of Fe(II)-Al-LDH phases in nature include areas with suboxic and anoxic conditions. Because these areas can be environments of significant contaminant accumulation, it is important to understand the possible interactions and impacts of contaminant elements on LDH phase formation. One such contaminant, Zn, can also form as an LDH and has been found to form as a mixed divalent layered hydroxide phase. To understand how Zn impacts the formation of Fe(II)-Al-LDH phase formation and kinetics, 3 mM or 0.8 mM Fe(II) and 0.8 mM Zn were batch reacted with either 10 g/L pyrophyllite or 7.5 g/L γ-Al2O3 for up to three months under anoxic conditions. Aqueous samples were analyzed by inductively coupled plasma optical emission spectrometry (ICP-OES) and solid samples were analyzed with X-ray absorption spectroscopy (XAS). Shell-by-shell fits of Fe(II) and co-sorption samples with pyrophyllite show the formation of a mixed divalent metal (Fe(II)-Zn-Al) layered hydroxide phase, while Fe(II) and Zn co-sorption samples with γ-Al2O3 produce Fe(II)-Al-LDH phases and Zn in inner-sphere complexation with the γ-Al2O3. This study demonstrates the formation of a mixed divalent metal layered hydroxide and further iterates the importance of sorbent reactivity on LDH phase formation.

  11. Real Time Control Software for Electromagnetic Formation Flight, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — We propose the development of a maintainable and evolvable real-time control software system for Electromagnetic Formation Flight (EMFF). EMFF systems use...

  12. Optimizing the structure of Tetracyanoplatinate(II)

    DEFF Research Database (Denmark)

    Dohn, Asmus Ougaard; Møller, Klaus Braagaard; Sauer, Stephan P. A.

    2013-01-01

    The geometry of tetracyanoplatinate(II) (TCP) has been optimized with density functional theory (DFT) calculations in order to compare different computational strategies. Two approximate scalar relativistic methods, i.e. the scalar zeroth-order regular approximation (ZORA) and non-relativistic ca...

  13. Gas Price Formation, Structure and Dynamics

    International Nuclear Information System (INIS)

    Davoust, R.

    2008-01-01

    Our study, focused on gas prices in importing economies, describes wholesale prices and retail prices, their evolution for the last one or two decades, the economic mechanisms of price formation. While an international market for oil has developed thanks to moderate storage and transportation charges, these costs are much higher in the case of natural gas, which involves that this energy is still traded inside continental markets. There are three regional gas markets around the world: North America (the United States, importing mainly from Canada and Mexico), Europe (importing mainly from Russia, Algeria and Norway) and Asia (Japan, Korea, Taiwan, China and India, importing mainly from Indonesia, Malaysia and Australia). A market for gas has also developed in South America, but it will not be covered by our paper. In Europe and the US, due to large domestic resources and strong grids, natural gas is purchased mostly through pipelines. In Northeast Asia, there is a lack of such infrastructures, so imported gas takes mainly the form of Liquefied Natural Gas (LNG), shipped on maritime tankers. Currently, the LNG market is divided into two zones: the Atlantic Basin (Europe and US) and the Pacific Basin (Asia and the Western Coast of America). For the past few years, the Middle East and Africa have tended to be crucial suppliers for both LNG zones. Gas price formation varies deeply between regional markets, depending on several structural factors (regulation, contracting practises, existence of a spot market, liquidity, share of imports). Empirically, the degree of market opening (which corresponds to the seniority in the liberalization process) seems to be the primary determinant of pricing patterns. North America has the most liberalized and well-performing natural gas industry in the world. Gas pricing is highly competitive and is based on supply/demand balances. Spot and futures markets are developed. The British gas sector is also deregulated and thus follows a

  14. Structural properties of MHC class II ligands, implications for the prediction of MHC class II epitopes.

    Directory of Open Access Journals (Sweden)

    Kasper Winther Jørgensen

    2010-12-01

    Full Text Available Major Histocompatibility class II (MHC-II molecules sample peptides from the extracellular space allowing the immune system to detect the presence of foreign microbes from this compartment. Prediction of MHC class II ligands is complicated by the open binding cleft of the MHC class II molecule, allowing binding of peptides extending out of the binding groove. Furthermore, only a few HLA-DR alleles have been characterized with a sufficient number of peptides (100-200 peptides per allele to derive accurate description of their binding motif. Little work has been performed characterizing structural properties of MHC class II ligands. Here, we perform one such large-scale analysis. A large set of SYFPEITHI MHC class II ligands covering more than 20 different HLA-DR molecules was analyzed in terms of their secondary structure and surface exposure characteristics in the context of the native structure of the corresponding source protein. We demonstrated that MHC class II ligands are significantly more exposed and have significantly more coil content than other peptides in the same protein with similar predicted binding affinity. We next exploited this observation to derive an improved prediction method for MHC class II ligands by integrating prediction of MHC- peptide binding with prediction of surface exposure and protein secondary structure. This combined prediction method was shown to significantly outperform the state-of-the-art MHC class II peptide binding prediction method when used to identify MHC class II ligands. We also tried to integrate N- and O-glycosylation in our prediction methods but this additional information was found not to improve prediction performance. In summary, these findings strongly suggest that local structural properties influence antigen processing and/or the accessibility of peptides to the MHC class II molecule.

  15. TEXTILE STRUCTURES FOR AERONAUTICS (PART II

    Directory of Open Access Journals (Sweden)

    SOLER Miquel

    2014-05-01

    Full Text Available Three-dimensional (3D textile structures with better delamination resistance and damage impact tolerance to be applied in composites for structural components is one of the main goals of the aeronautical industry. Textile Research Centre in Canet de Mar has been working since 2008 in this field. Our staff has been designing, developing and producing different textile structures using different production methods and machinery to improve three-dimensional textile structures as fiber reinforcement for composites. This paper describes different tests done in our textile labs from unidirectional structures to woven, knitted or braided 3 D textile structures. Advantages and disadvantages of each textile structure are summarized. The second part of this paper deals with our know-how in the manufacturing and assessing of three-dimensional textile structures during this last five years in the field of textile structures for composites but also in the development of structures for other applications. In the field of composites for aeronautic sector we have developed textile structures using the main methods of textile production, that is to say, weaving, warp knitting, weft knitting and braiding. Comparing the advantages and disadvantages it could be said that braided fabrics, with a structure in the three space axes are the most suitable for fittings and frames.

  16. Stereoselectivity in the formation of tris-diimine complexes of Fe(II), Ru(II), and Os(II) with a C2-symmetric chiral derivative of 2,2'-bipyridine.

    Science.gov (United States)

    Drahonovský, Dusan; Knof, Ulrich; Jungo, Laurence; Belser, Thomas; Neels, Antonia; Labat, Gaël Charles; Stoeckli-Evans, Helen; von Zelewsky, Alex

    2006-03-21

    A C2-symmetric enantiopure 4,5-bis(pinene)-2,2'-bipyridine ligand (-)-L was used to investigate the diastereoselectivity in the formation of [ML3]2+ coordination species (M = Fe(II), Ru(II), Os(II), Zn(II), Cd(II), Cu(II), Ni(II)), and [ML2Cl2] (M = Ru(II), Os(II)). The X-ray structures of the [ML3]2+ complexes were determined for Delta-[FeL3](PF6)2, Delta-[RuL3](PF6)2, Lambda-[RuL3](PF6)2, Delta-[OsL3](PF6)2, and Lambda-[OsL3](TfO)2. All of these compounds were also characterized by NMR, CD and UV/VIS absorption spectroscopy. The [FeL3]2+ diastereoisomers were studied in equilibrated solutions at various temperatures and in several solvents. The [RuL3]2+ complexes, which are thermally stable up to 200 degrees C, were photochemically equilibrated.

  17. Differential transmembrane domain GXXXG motif pairing impacts major histocompatibility complex (MHC) class II structure.

    Science.gov (United States)

    Dixon, Ann M; Drake, Lisa; Hughes, Kelly T; Sargent, Elizabeth; Hunt, Danielle; Harton, Jonathan A; Drake, James R

    2014-04-25

    Major histocompatibility complex (MHC) class II molecules exhibit conformational heterogeneity, which influences their ability to stimulate CD4 T cells and drive immune responses. Previous studies suggest a role for the transmembrane domain of the class II αβ heterodimer in determining molecular structure and function. Our previous studies identified an MHC class II conformer that is marked by the Ia.2 epitope. These Ia.2(+) class II conformers are lipid raft-associated and able to drive both tyrosine kinase signaling and efficient antigen presentation to CD4 T cells. Here, we establish that the Ia.2(+) I-A(k) conformer is formed early in the class II biosynthetic pathway and that differential pairing of highly conserved transmembrane domain GXXXG dimerization motifs is responsible for formation of Ia.2(+) versus Ia.2(-) I-A(k) class II conformers and controlling lipid raft partitioning. These findings provide a molecular explanation for the formation of two distinct MHC class II conformers that differ in their inherent ability to signal and drive robust T cell activation, providing new insight into the role of MHC class II in regulating antigen-presenting cell-T cell interactions critical to the initiation and control of multiple aspects of the immune response.

  18. Acceptors in II-IV Semiconductors - Incorporation and Complex Formation

    CERN Multimedia

    2002-01-01

    A strong effort is currently devoted to the investigation of defects and the electrical activation of dopant atoms in II-VI semiconductors. In particular, the knowledge about the behaviour of acceptors, prerequisite for the fabrication of p-type semiconductors, is rather limited. The perturbed $\\,{\\gamma\\gamma}$ -angular correlation technique (PAC) and the photoluminescence spectroscopy (PL) using the radioactive isotopes $^{77}\\!$Br and $^{111}\\!$Ag will be applied for investigating the behaviour of acceptor dopant atoms and their interactions with defects in II-VI semiconductors. The main topic will be the identification of the technical conditions for the incorporation of electrically active acceptors in the II-VI semiconductors ~ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe with particular emphasis on the compounds~ CdTe, ZnSe, and ZnTe. The investigations will be supplemented by first exploratory PL experiments with the group V acceptors $^{71}\\!$As and $^{121}\\!$Sb. With help of the probe $^{111}\\!$Ag, the pos...

  19. Syntheses, structures and properties of two dinuclear mercury(II ...

    Indian Academy of Sciences (India)

    Syntheses, structures and properties of two dinuclear mercury(II) iodide compounds containing tetradentate tripodal amine/pentadentate. N-donor Schiff base: Control of molecular and crystalline architectures by varying ligand matrices. SUBHASIS ROYa, SOUMI CHATTOPADHYAYa, SOMNATH CHOUBEYa,. KISHALAY ...

  20. Composite Structure Monitoring using Direct Write Sensors, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — This NASA SBIR Phase II project seeks to develop and demonstrate a suite of sensor products to monitor the health of composite structures. Sensors will be made using...

  1. Shape Memory Alloy-Based Periodic Cellular Structures, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — This SBIR Phase II effort will continue to develop and demonstrate an innovative shape memory alloy (SMA) periodic cellular structural technology. Periodic cellular...

  2. Acrylamide and 5-hydroxymethylfurfural formation during biscuit baking. Part II

    NARCIS (Netherlands)

    Nguyen, H.T.; Fels, van der Ine; Boekel, van Tiny

    2017-01-01

    This study investigated acrylamide and 5-hydroxymethylfurfural (HMF) formation during biscuit baking. Four types of wheat flour with different molar ratios of total fructose and glucose to asparagine were investigated. Nevertheless, the molar ratio in all four biscuit doughs exceeded one after

  3. On the formation of iron(III) oxides via oxidation of iron(II)

    Energy Technology Data Exchange (ETDEWEB)

    Bongiovanni, R.; Pelizzetti, E. [Torino Univ. (Italy). Dipt. di Chimica Analitica; Borgarello, E. [Eniricerche SpA, Milan (Italy); Meisel, D. [Argonne National Lab., IL (United States)

    1994-09-01

    Formation of iron oxides in aqueous salt solutions is reviewed. The discussion is focused on the oxidation of iron(II) and the following hydrolysis process that leads to the formation of a solid phase from homogeneous solutions. Results from our own studies on the kinetics of the oxidation reactions and the ensuing growth processes are presented.

  4. Structural Composites with Intrinsic Multifunctionality, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Development of multifunctional, structural materials for applications in terrestrial and space-based platforms is proposed. The principle innovation is the...

  5. Formation of structures in the very early universe

    International Nuclear Information System (INIS)

    Bertolami Neto, O.; Marques, G.C.; Ventura, I.

    1984-01-01

    An alternative picture of cosmological phase transition is sketched and its implications to the formation of structures in the very early Universe is studied. It is shown that the condensation of walls at high temperatures leads to fluctuations which are in accordance to all necessary conditions to the formation of structures in the Universe. Furthermore the number of aglutination centers is roughly equal to the numbers of great structures observed in the Universe today. (Author) [pt

  6. Extreme emulsification: formation and structure of nanoemulsions

    Directory of Open Access Journals (Sweden)

    T.G.Mason

    2006-01-01

    Full Text Available Nanoemulsions are metastable dispersions of nanodroplets of one liquid that have been ruptured by shear in another immiscible liquid. The ruptured droplets are stabilized against subsequent coalescence by a surfactant. Because the nanodroplets do not form spontaneously, as they can in lyotropic ``microemulsion'' phases, the structure of nanoemulsions is primarily dependent on the history of the applied shear stresses relative to the interfacial restoring stresses. By applying extremely high shear rates and controlling the composition of the emulsion, we have been able to rupture microscale droplets down to diameters as small as 30 nm in a microfluidic process that yields bulk quantities suitable for commercial production. Following ultracentrifugal fractionation to make the droplets uniform, we study the structure of these emulsions using small angle neutron scattering (SANS at dilute and concentrated volume fractions. We contrast the structure of a concentrated nanoemulsion with the structure factor of hard spheres at a similar volume fraction.

  7. On the structural formation of albumin

    Science.gov (United States)

    Buzoverya, M. E.; Shishpor, I. V.; Shcherbak, Yu. P.

    2017-09-01

    A microstructural analysis of the human serum albumin (HSA) samples dehydrated on a glass substrate from solutions with different concentrations of protein has been performed. The structuring effect of salt (NaCl) on the variations in the morphology of HSA interfaces has been shown experimentally. The substantiation of some structural effects has been given by taking into consideration the supramolecular organization and the polyelectrolyte nature of the protein molecule.

  8. Meniscus Dynamics in Bubble Formation. Part II: Model

    Czech Academy of Sciences Publication Activity Database

    Růžička, Marek; Bunganič, Radovan; Drahoš, Jiří

    2009-01-01

    Roč. 87, č. 10 (2009), s. 1357-1365 ISSN 0263-8762 R&D Projects: GA ČR GA104/07/1110; GA AV ČR(CZ) IAA200720801 Institutional research plan: CEZ:AV0Z40720504 Keywords : bubble formation * periodic bubbling * meniscus oscillations Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 1.223, year: 2009

  9. Sequestration and Distribution Characteristics of Cd(II by Microcystis aeruginosa and Its Role in Colony Formation

    Directory of Open Access Journals (Sweden)

    Xiangdong Bi

    2016-01-01

    Full Text Available To investigate the sequestration and distribution characteristics of Cd(II by Microcystis aeruginosa and its role in Microcystis colony formation, M. aeruginosa was exposed to six different Cd(II concentrations for 10 days. Cd(II exposure caused hormesis in the growth of M. aeruginosa. Low concentrations of Cd(II significantly induced formation of small Microcystis colonies (P93% of Cd(II was sequestrated in the groups with lower added concentrations of Cd(II. More than 80% of the sequestrated Cd(II was bioadsorbed by bEPS. The Pearson correlation coefficients of exterior and interior factors related to colony formation of M. aeruginosa revealed that Cd(II could stimulate the production of IPS and bEPS via increasing Cd(II bioaccumulation and bioadsorption. Increased levels of cross-linking between Cd(II and bEPS stimulated algal cell aggregation, which eventually promoted the formation of Microcystis colonies.

  10. NONA Cure of Prepreg Structures, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — CRG's no-oven, no-autoclave (NONA) cure of OoA or autoclave prepreg materials allows the manufacture of large composite structures without the expensive and...

  11. A study on complex formation of cadmium (II) ions, 9

    International Nuclear Information System (INIS)

    Matsui, Haruo

    1984-01-01

    Formation constants of cadmium (11) complexes with dicarboxylic acids such as oxalic, malonic, methylmalonic, succinic, and glutaric acids were determined in aqueous solutions containing 3 mol.dm -3 LiClO 4 as a constan ionic medium at 25 0 C by potentiometric titrations. It was reported in the previous works that cadmium (11)- aspartic acid complexes contained two chelate rings. However, a problem remained whether the second chelate ring could be formed by six membered-ring containing -O-Cd-N- bond or by seven membered-ring containing -O-Cd-O- bond. The results of the present work suggested that it would be formed by a six membered ring. Cadmium (11) ions were coordinated with a carboxylic group of the dicarboxylic acids studied, and formed no chelate ring within the complexes. The white precipitate appeared in the solution containing cadmium (11) ion and oxalic acid, in the pH range below 3.0, therefore, the chelate formation was not ascertained in this case. The formation constants, log βsub(pr)= log([Cdsub(p)Lsub(r)sup((2p-2r)+)]/([Cd 2+ ]sup(p)[L 2- ]sup(r))), of the complexes were: log β 11 = 1.98, log β 12 = 3.05 for cadmium (11)-malonic acid; log β 11 = 2.28, log β 12 = 3.06 for cadmium (11)-methylmalonic acid; log β 11 = 1.78, log β 12 = 3.08 for cadmium (11)-succinic acid; log β 11 = 1.85, log β 12 = 3.28 for cadmium (11)-glutaric acid complexes. (author)

  12. Mechanism of structural type formation of rare earth polychalcogenides

    International Nuclear Information System (INIS)

    Kuz'micheva, G.M.; Eliseev, A.A.; Khalina, S.Yu.

    1981-01-01

    It proved to be possible to obtain the structural motives not only of all the known polychalcogenides of rare earth elements but to forecast compounds not yet existing on the basis of two initial structural motives. All the structural motives can be divided into superstructures and polytypes as to the mechanism of their formation [ru

  13. Structure and cluster formation in granular media

    Indian Academy of Sciences (India)

    The two most important phenomena at the basis of granular media are excluded volume and dissipation. The former is captured by the hard sphere model and is responsible for, e.g., crystallization, the latter leads to interesting structures like clusters in non-equilibrium dynamical, freely cooling states. The freely cooling ...

  14. Structural basis of RNA polymerase II backtracking, arrest and reactivation.

    Science.gov (United States)

    Cheung, Alan C M; Cramer, Patrick

    2011-03-10

    During gene transcription, RNA polymerase (Pol) II moves forwards along DNA and synthesizes messenger RNA. However, at certain DNA sequences, Pol II moves backwards, and such backtracking can arrest transcription. Arrested Pol II is reactivated by transcription factor IIS (TFIIS), which induces RNA cleavage that is required for cell viability. Pol II arrest and reactivation are involved in transcription through nucleosomes and in promoter-proximal gene regulation. Here we present X-ray structures at 3.3 Å resolution of an arrested Saccharomyces cerevisiae Pol II complex with DNA and RNA, and of a reactivation intermediate that additionally contains TFIIS. In the arrested complex, eight nucleotides of backtracked RNA bind a conserved 'backtrack site' in the Pol II pore and funnel, trapping the active centre trigger loop and inhibiting mRNA elongation. In the reactivation intermediate, TFIIS locks the trigger loop away from backtracked RNA, displaces RNA from the backtrack site, and complements the polymerase active site with a basic and two acidic residues that may catalyse proton transfers during RNA cleavage. The active site is demarcated from the backtrack site by a 'gating tyrosine' residue that probably delimits backtracking. These results establish the structural basis of Pol II backtracking, arrest and reactivation, and provide a framework for analysing gene regulation during transcription elongation.

  15. Structuring Classroom Discourse Using Formative Assessment Rubrics

    Science.gov (United States)

    Brookes, David T.; Lin, Yuhfen

    2010-10-01

    There has been substantial attention paid to students' abilities to engage in a scientific discussion and think critically in a science class. But what constitutes critical thinking in physics? We will discuss a view that critical thinking involves participants (students) becoming increasingly involved in a specialized form of argument that has fixed epistemic rules, but whose rules are seldom made explicit within the physics community that uses them. We will then discuss one method of making the epistemic rules of physics explicit for students by using formative assessment rubrics. We will provide some examples of how these rubrics can be implemented in a physics class and how students were able to transfer critical thinking abilities beyond the physics classroom.

  16. Structure and Mechanism of a Pentameric Formate Channel

    Energy Technology Data Exchange (ETDEWEB)

    Waight, A.; Love, J; Wang, D

    2010-01-01

    Formate transport across the inner membrane is a critical step in anaerobic bacterial respiration. Members of the formate/nitrite transport protein family function to shuttle substrate across the cytoplasmic membrane. In bacterial pathogens, the nitrite transport protein is involved in protecting bacteria from peroxynitrite released by host macrophages. We have determined the 2.13-{angstrom} structure of the formate channel FocA from Vibrio cholerae, which reveals a pentamer in which each monomer possesses its own substrate translocation pore. Unexpectedly, the fold of the FocA monomer resembles that found in water and glycerol channels. The selectivity filter in FocA consists of a cytoplasmic slit and a central constriction ring. A 2.5-{angstrom} high-formate structure shows two formate ions bound to the cytoplasmic slit via both hydrogen bonding and van der Waals interactions, providing a structural basis for the substrate selectivity of the channel.

  17. Ring Formation in Lime Kilns; Ringbildning i Mesaugnar II

    Energy Technology Data Exchange (ETDEWEB)

    Dhak, Janice [AaF-Process AB, Stockholm (Sweden)

    2003-07-15

    The key to a cost efficient and high performance pulp production is low variations in the production level. Despite the fact that all pulp mills always work with improvements to eliminate problems with ring formations, AaF has at several mill seen that the operation of a lime kiln still often is disturbed by ring formation. In 1999 AAF made an extensive investigation of more than 10 lime kilns in Sweden, considering operational data, kiln data and lime chemical analyzes. The result pointed out the importance of how the lime kiln is operated and that dead load and contaminants in the lime was less important. The report suggested that it is the difference in the temperature between the flue gas and the lime that is of importance. There are no quantified process values available that guides for a 'best practice' way to run a lime kiln to avoid ring formation. The goal with this project has been to develop a strategy for operation of a kiln in a way that lowers the risk for ring formation. The results from simulations of a number of lime kilns in this project could not proof that a low difference in the temperature between the flue gas and the lime was the main cause of problems with ring formation and thus it was not possible to quantify the optimal difference to avoid rings. Probably the most important information from the simulations was that it is not the temperature difference in number of degrees that is of importance, rather the fact that the temperature difference in the kalcining zone varies, and time to time reach below the critical level were lime occasionally is cooled down. It can be the case if the temperature profile of the flue gas temporarily changes or if the lime mud temperature profile is changed. The reason for changes in the temperature profile is discussed in the report. The most important factors discussed are: Variations in the energy input e.g. oil and methanol/strong gases in cocombustion. One single fuel is easier to control

  18. Elastogranular Mechanics: Buckling, Jamming, and Structure Formation

    Science.gov (United States)

    Schunter, David J.; Brandenbourger, Martin; Perriseau, Sophia; Holmes, Douglas P.

    2018-02-01

    Confinement of a slender body into a granular array induces stress localization in the geometrically nonlinear structure, and jamming, reordering, and vertical dislodging of the surrounding granular medium. By varying the initial packing density of grains and the length of a confined elastica, we identify the critical length necessary to induce jamming, and demonstrate how folds couple with the granular medium to localize along grain boundaries. Above the jamming threshold, the characteristic length of elastica deformation is shown to diverge in a manner that is coupled with the motion and rearrangement of the grains, suggesting the ordering of the granular array governs the deformation of the slender structure. However, overconfinement of the elastica will vertically dislodge grains, a form of stress relaxation in the granular medium that illustrates the intricate coupling in elastogranular interactions.

  19. Semiconductor structure and recess formation etch technique

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Bin; Sun, Min; Palacios, Tomas Apostol

    2017-02-14

    A semiconductor structure has a first layer that includes a first semiconductor material and a second layer that includes a second semiconductor material. The first semiconductor material is selectively etchable over the second semiconductor material using a first etching process. The first layer is disposed over the second layer. A recess is disposed at least in the first layer. Also described is a method of forming a semiconductor structure that includes a recess. The method includes etching a region in a first layer using a first etching process. The first layer includes a first semiconductor material. The first etching process stops at a second layer beneath the first layer. The second layer includes a second semiconductor material.

  20. Gallium beam lithography for superconductive structure formation

    Energy Technology Data Exchange (ETDEWEB)

    Henry, Michael David; Lewis, Rupert M.

    2018-01-30

    The present invention relates to the use of gallium beam lithography to form superconductive structures. Generally, the method includes exposing a surface to gallium to form an implanted region and then removing material adjacent to and/or below that implanted region. In particular embodiments, the methods herein provide microstructures and nanostructures in any useful substrate, such as those including niobium, tantalum, tungsten, or titanium.

  1. Gravitational Collapse and Structure Formation in an Expanding ...

    Indian Academy of Sciences (India)

    IAS Admin

    GENERAL ARTICLE. Gravitational Collapse and Structure Formation in an. Expanding Universe. J S Bagla and Pritpal Kaur Sandhu. Keywords. Cosmology, gravitational col- lapse, galaxy formation. (left) Jasjeet Bagla works at IISER Mohali. His research is mainly in the area of cosmology. (right) Pritpal Kaur. Sandhu works ...

  2. Structural basis for hyperactivity of cN-II mutants

    Czech Academy of Sciences Publication Activity Database

    Hnízda, Aleš; Škerlová, Jana; Šinalová, Martina; Pachl, Petr; Man, Petr; Novák, Petr; Fábry, Milan; Řezáčová, Pavlína; Veverka, Václav

    2015-01-01

    Roč. 22, č. 1 (2015), s. 4 ISSN 1211-5894. [Discussions in Structural Molecular Biology. Annual Meeting of the Czech Society for Structural Biology /13./. 19.03.2015-21.03.2015, Nové Hrady] Institutional support: RVO:61388963 ; RVO:68378050 ; RVO:61388971 Keywords : cN-II mutants * enzyme hyperactivity Subject RIV: CE - Biochemistry

  3. DNA structure in human RNA polymerase II promoters

    DEFF Research Database (Denmark)

    Pedersen, Anders Gorm; Baldi, Pierre; Chauvin, Yves

    1998-01-01

    The fact that DNA three-dimensional structure is important for transcriptional regulation begs the question of whether eukaryotic promoters contain general structural features independently of what genes they control. We present an analysis of a large set of human RNA polymerase II promoters...

  4. The Reliability of [C II] as a Star Formation Rate Indicator

    Directory of Open Access Journals (Sweden)

    De Looze Ilse

    2011-09-01

    Full Text Available We present a calibration of the star formation rate (SFR as a function of the [C II] 157.74 μm luminosity for a sample of 24 star-forming galaxies in the nearby universe. In order to calibrate the SFR against the line luminosity, we rely on both GALEX FUV data, which is an ideal tracer of the unobscured star formation, and Spitzer MIPS 24 μm, to probe the dust-enshrouded fraction of star formation. For this sample of normal star-forming galaxies, the [C II] luminosity correlates well with the star formation rate. However, the extension of this relation to more quiescent (Hα EW≤10 Å or ultra luminous galaxies (LTIR ≥1012 L⊙ should be handled with caution, since these objects show a non-linearity in the L[C II]-to-LFIR ratio as a function of LFIR (and thus, their star formation activity. Two possible scenarios can be invoked to explain the tight correlation between the [C II] emission and the star formation activity on a global galaxy-scale. The first interpretation could be that the [C II] emission from photo dissociation regions arises from the immediate surroundings of actively star-forming regions and contributes a more or less constant fraction on a global galaxy-scale. Alternatively, we consider the possibility that the [C II] emission is associated to the cold interstellar medium, which advocates an indirect link with the star formation activity in a galaxy through the Schmidt law.

  5. Primmorphs from seven marine sponges : formation and structure

    NARCIS (Netherlands)

    Sipkema, D.; Wielink, van R.; Lammeren, van A.A.M.; Tramper, J.; Osinga, R.; Wijffels, R.H.

    2003-01-01

    Primmorphs were obtained from seven different marine sponges: Stylissa massa, Suberites domuncula, Pseudosuberites aff. andrewsi, Geodia cydonium, Axinella polypoides, Halichondria panicea and Haliclona oculata. The formation process and the ultra structure of primmorphs were studied. A positive

  6. The Influence of Temperature on the Formation of Cubic Structured CdO Nanoparticles and Their Thin Films from Bis(2-hydroxy-1-naphthaldehydatocadmium(II Complex via Thermal Decomposition Technique

    Directory of Open Access Journals (Sweden)

    Thokozani Xaba

    2017-01-01

    Full Text Available Recently, researchers have developed a great interest in the synthesis of metal oxide nanoparticles due to their potential applications in various fields of science and industry, especially in catalysis, due to their high activity. Bis(2-hydroxy-1-naphthaldehydatocadmium(II complexes were prepared and used as precursors for the synthesis of cadmium oxide nanoparticles via thermal decomposition method using HDA as a stabilizing agent. The prepared complexes were also used as single source precursors to prepare CdO thin films onto the glass substrates by spin coating and were annealed at 250, 300, and 350°C, respectively. The precursors were characterized by Fourier transform infrared (FTIR spectroscopy, elemental analysis, nuclear magnetic resonance (NMR, and thermogravimetric analysis (TGA. The synthesized CdO nanoparticles and CdO thin films were characterized by ultraviolet-visible (UV-vis spectroscopy, photoluminescence (PL, X-ray diffraction (XRD, transmission electron microscopy (TEM, scanning electron microscopy (SEM, and atomic force microscopy (AFM.

  7. Time-resolved in situ neutron diffraction studies of gas hydrate: transformation of structure II (sII) to structure I (sI).

    Science.gov (United States)

    Halpern, Y; Thieu, V; Henning, R W; Wang, X; Schultz, A J

    2001-12-26

    We report the in situ observation from diffraction data of the conversion of a gas hydrate with the structure II (sII) lattice to one with the structure I (sI) lattice. Initially, the in situ formation, dissociation, and reactivity of argon gas clathrate hydrate was investigated by time-of-flight neutron powder diffraction at temperatures ranging from 230 to 263 K and pressures up to 5000 psi (34.5 MPa). These samples were prepared from deuterated ice crystals and transformed to hydrate by pressurizing the system with argon gas. Complete transformation from D(2)O ice to sII Ar hydrate was observed as the sample temperature was slowly increased through the D(2)O ice melting point. The transformation of sII argon hydrate to sI hydrate was achieved by removing excess Ar gas and exposing the hydrate to liquid CO(2) by pressurizing the Ar hydrate with CO(2). Results suggest the sI hydrate formed from CO(2) exchange in argon sII hydrate is a mixed Ar/CO(2) hydrate. The proposed exchange mechanism is consistent with clathrate hydrate being an equilibrium system in which guest molecules are exchanging between encapsulated molecules in the solid hydrate and free molecules in the surrounding gas or liquid phase.

  8. Late formation of silicon carbide in type II supernovae

    Science.gov (United States)

    Liu, Nan; Nittler, Larry R.; Alexander, Conel M. O’D.; Wang, Jianhua

    2018-01-01

    We have found that individual presolar silicon carbide (SiC) dust grains from supernovae show a positive correlation between 49Ti and 28Si excesses, which is attributed to the radioactive decay of the short-lived (t½ = 330 days) 49V to 49Ti in the inner highly 28Si-rich Si/S zone. The 49V-49Ti chronometer shows that these supernova SiC dust grains formed at least 2 years after their parent stars exploded. This result supports recent dust condensation calculations that predict a delayed formation of carbonaceous and SiC grains in supernovae. The astronomical observation of continuous buildup of dust in supernovae over several years can, therefore, be interpreted as a growing addition of C-rich dust to the dust reservoir in supernovae. PMID:29376119

  9. Role of endothelium in angiotensin II formation by the rat aorta and mesenteric arterial bed

    Directory of Open Access Journals (Sweden)

    R. Leite

    1997-05-01

    Full Text Available We investigated the angiotensin II (Ang II-generating system by analyzing the vasoconstrictor effect of Ang II, angiotensin I (Ang I, and tetradecapeptide (TDP renin substrate in the absence and presence of inhibitors of the renin-angiotensin system in isolated rat aortic rings and mesenteric arterial beds with and without functional endothelium. Ang II, Ang I, and TDP elicited a dose-dependent vasoconstrictor effect in both vascular preparations that was completely blocked by the Ang II receptor antagonist saralasin (50 nM. The angiotensin converting enzyme (ACE inhibitor captopril (36 µM completely inhibited the vasoconstrictor effect elicited by Ang I and TDP in aortic rings without affecting that of Ang II. In contrast, captopril (36 µM significantly reduced (80-90% the response to bolus injection of Ang I, without affecting those to Ang II and TDP in mesenteric arteries. Mechanical removal of the endothelium greatly potentiated (70-95% the vasoconstrictor response to Ang II, Ang I, and TDP in aortic rings while these responses were unaffected by the removal of the endothelium of mesenteric arteries with sodium deoxycholate infusion. In addition, endothelium disruption did not change the pattern of response elicited by these peptides in the presence of captopril. These findings indicate that the endothelium may not be essential for Ang II formation in rat mesenteric arteries and aorta, but it may modulate the response to Ang II. Although Ang II formation from Ang I is essentially dependent on ACE in both vessels, our results suggest the existence of an alternative pathway in the mesenteric arterial bed that may play an important role in Ang II generation from TDP in resistance but not in large vessels during ACE inhibition

  10. Structures formation through self-organized accretion on cosmic strings

    International Nuclear Information System (INIS)

    Murdzek, R.

    2009-01-01

    In this paper, we shall show that the formation of structures through accretion by a cosmic string is driven by a natural feed-back mechanism: a part of the energy radiated by accretions creates a pressure on the accretion disk itself. This phenomenon leads to a nonlinear evolution of the accretion process. Thus, the formation of structures results as a consequence of a self-organized growth of the accreting central object.

  11. Structure and ligand selection of hemoglobin II from Lucina pectinata.

    Science.gov (United States)

    Gavira, José A; Camara-Artigas, Ana; De Jesús-Bonilla, Walleska; López-Garriga, Juan; Lewis, Ariel; Pietri, Ruth; Yeh, Syun-Ru; Cadilla, Carmen L; García-Ruiz, Juan Manuel

    2008-04-04

    Lucina pectinata ctenidia harbor three heme proteins: sulfide-reactive hemoglobin I (HbI(Lp)) and the oxygen transporting hemoglobins II and III (HbII(Lp) and HbIII(Lp)) that remain unaffected by the presence of H(2)S. The mechanisms used by these three proteins for their function, including ligand control, remain unknown. The crystal structure of oxygen-bound HbII(Lp) shows a dimeric oxyHbII(Lp) where oxygen is tightly anchored to the heme through hydrogen bonds with Tyr(30)(B10) and Gln(65)(E7). The heme group is buried farther within HbII(Lp) than in HbI(Lp). The proximal His(97)(F8) is hydrogen bonded to a water molecule, which interacts electrostatically with a propionate group, resulting in a Fe-His vibration at 211 cm(-1). The combined effects of the HbII(Lp) small heme pocket, the hydrogen bonding network, the His(97) trans-effect, and the orientation of the oxygen molecule confer stability to the oxy-HbII(Lp) complex. Oxidation of HbI(Lp) Phe(B10) --> Tyr and HbII(Lp) only occurs when the pH is decreased from pH 7.5 to 5.0. Structural and resonance Raman spectroscopy studies suggest that HbII(Lp) oxygen binding and transport to the host bacteria may be regulated by the dynamic displacements of the Gln(65)(E7) and Tyr(30)(B10) pair toward the heme to protect it from changes in the heme oxidation state from Fe(II) to Fe(III).

  12. Simultaneous determination of Hg(II)-Ag(I)-Cd(II) by conductometric titration using the formation of ternary complex

    International Nuclear Information System (INIS)

    Hayashida, Ichiro; Yoshida, Hitoshi; Taga, Mitsuhiko; Hikime, Seiichiro

    1979-01-01

    A conductometric determination of Hg(II), Ag(I) and Cd(II) was carried out by using the insoluble ternary complex formation of the metal ions with iodide ion in the presence of 1,10-phenanthroline (phen). Recommended procedure is as follows; An aliquot of sample solution containing (14 -- 29) mg of Hg(II), (8 -- 16) mg of Ag(I), and (9 -- 17) mg of Cd(II) transfered into a 100 ml beaker. Add to acetate buffer and stoichiometric amounts of phen (40% ethanol-water solution). Amounts of nitrate ion which was estimated separately by other titration with 0.1 M Ag(phen) 2 complex (40% ethanol-water solution) are adjusted in the range of (4.0 -- 6.0) mM. The sample solution is titrated with 0.1 M KI standard solution at the rate of 0.20 ml/min or less. The titration curve showed three end-points corresponding to the formation of (1) Hg(phen) 2 I 2 , (2) Ag(phen)I, and (3) Cd(phen) 2 I 2 . The relative standard deviation was less than 0.8%, when the pH value was controlled at 4.0 -- 4.5 (acetate buffer) and the nitrate concentration was adjusted in the range of (4.0 -- 6.0)mM. The effect of diverse ions on the determination was also investigated in detail. (author)

  13. Extraplanar H II Regions in Spiral Galaxies. II. In Situ Star Formation in the Interstellar Thick Disk of NGC 4013

    Science.gov (United States)

    Howk, J. Christopher; Rueff, Katherine M.; Lehner, Nicolas; Wotta, Christopher B.; Croxall, Kevin; Savage, Blair D.

    2018-04-01

    We present observations of an Hα-emitting knot in the thick disk of NGC 4013, demonstrating it is an H II region surrounding a cluster of young hot stars z = 860 pc above the plane of this edge-on spiral galaxy. With LBT/MODS spectroscopy we show that this H II region has an Hα luminosity ∼4–7 times that of the Orion nebula, with an implied ionizing photon production rate log Q 0 ≈ 49.4 (photons s‑1). HST/WFPC2 imaging reveals an associated blue continuum source with M V = ‑8.21 ± 0.24. Together, these properties demonstrate that the H II region is powered by a young cluster of stars formed in situ in the thick disk, with an ionizing photon flux equivalent to ∼6 O7 V stars. If we assume ≈6 other extraplanar Hα-emitting knots are H II regions, the total thick disk star formation rate of NGC 4013 is ∼5 × 10‑4 M ⊙ yr‑1. The star formation likely occurs in the dense clouds of the interstellar thick disk seen in optical images of dust extinction and CO emission.

  14. 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

  15. Elasticity of some mantle crystal structures. II.

    Science.gov (United States)

    Wang, H.; Simmons, G.

    1973-01-01

    The single-crystal elastic constants are determined as a function of pressure and temperature for rutile structure germanium dioxide (GeO2). The data are qualitatively similar to those of rutile TiO2 measured by Manghnani (1969). The compressibility in the c direction is less than one-half that in the a direction, the pressure derivative of the shear constant is negative, and the pressure derivative of the bulk modulus has a relatively high value of about 6.2. According to an elastic strain energy theory, the negative shear modulus derivative implies that the kinetic barrier to diffusion decreases with increasing pressure.

  16. Synthesis, structure and fluorescence properties of a novel 3D Sr(II) coordination polymer

    Science.gov (United States)

    Tan, Yu-Hui; Xu, Qing; Gu, Zhi-Feng; Gao, Ji-Xing; Wang, Bin; Liu, Yi; Yang, Chang-Shan; Tang, Yun-Zhi

    2016-09-01

    Solvothermal reaction of 2,2‧-bipyridine-5,5‧-dicarboxylic acid (H2bpdc) and SrCl2 affords a novel coordination polymer [Sr(Hbpdc)2]n1. X-ray structure determination shows that 1 exhibits a novel three-dimensional network. The unique Sr II cation sits on a two-fold axis and coordinated by four O-atom donors from four Hbptc- ligands and four N-atom donors from two Hbptc- ligands in distorted dodecahedral geometry. In 1 each Sr II cation connects to six different Hbptc- ligands and each Hbptc- ligand bridges three different Sr II cations which results in the formation of a three-dimensional polymeric structure. Corresponding to the free ligand, the fluorescent emission of complex 1 display remarkable "Einstain" shifts, which may be attributed to the coordination interaction of Sr atoms, thus reduce the rigidity of pyridyl rings.

  17. Self-regulated model of galactic spiral structure formation.

    Science.gov (United States)

    Cartin, Daniel; Khanna, Gaurav

    2002-01-01

    The presence of spiral structure in isolated galaxies is a problem that has only been partially explained by theoretical models. Because the rate and pattern of star formation in the disk must depend only on mechanisms internal to the disk, we may think of the spiral galaxy as a self-regulated system far from equilibrium. This paper uses this idea to look at a reaction-diffusion model for the formation of spiral structures in certain types of galaxies. In numerical runs of the model, spiral structure forms and persists over several revolutions of the disk, but eventually dies out.

  18. Controllable synthesis and formation mechanism of carbon micro/nano-structural materials

    Science.gov (United States)

    Zhang, Chang'an; Lv, Meijiao; Wang, Xianbao; Li, Jing; Yang, Xuyu; Yang, Jia; Hu, Hao

    2013-10-01

    Three different structures of carbon materials, including carbon spheres, bamboo-like carbon nanotubes and straight carbon nanotubes, were obtained by pyrolysis of iron(II) phthalocyanine with different flow rates of H2 at 1000 °C. The suitable mechanism for formation process of the carbon nanomaterials from spheres to straight nanotubes was suggested. The competing processes between the catalyst forward and the shell growth have been used to explain the formation mechanism of three materials. The controllable synthesis of carbon materials was achieved only by changing the H2 flow rates, and it is important to explore applications of carbon materials with different shapes.

  19. Structure and reactivity of a mononuclear gold(II) complex

    Science.gov (United States)

    Preiß, Sebastian; Förster, Christoph; Otto, Sven; Bauer, Matthias; Müller, Patrick; Hinderberger, Dariush; Hashemi Haeri, Haleh; Carella, Luca; Heinze, Katja

    2017-12-01

    Mononuclear gold(II) complexes are very rare labile species. Transient gold(II) species have been suggested in homogeneous catalysis and in medical applications, but their geometric and electronic structures have remained essentially unexplored: even fundamental data, such as the ionic radius of gold(II), are unknown. Now, an unprecedentedly stable neutral gold(II) complex of a porphyrin derivative has been isolated, and its structural and spectroscopic features determined. The gold atom adopts a 2+2 coordination mode in between those of gold(III) (four-coordinate square planar) and gold(I) (two-coordinate linear), owing to a second-order Jahn-Teller distortion enabled by the relativistically lowered 6s orbital of gold. The reactivity of this gold(II) complex towards dioxygen, nitrosobenzene and acids is discussed. This study provides insight on the ionic radius of gold(II), and allows it to be placed within the homologous series of nd9 Cu/Ag/Au divalent ions and the 5d8/9/10 Pt/Au/Hg 'relativistic' triad in the periodic table.

  20. Structure Formation Mechanisms during Solid Ti with Molten Al Interaction

    International Nuclear Information System (INIS)

    Gurevich, L; Pronichev, D; Trunov, M

    2016-01-01

    The study discuses advantages and disadvantages of previously proposed mechanisms of the formation of structure between solid Ti and molten Al and presents a new mechanism based on the reviewed and experimental data. The previously proposed mechanisms were classified into three groups: mechanisms of precipitation, mechanisms of destruction and mechanisms of chemical interaction between intermetallics and melt. The reviewed mechanisms did not explain the formation of heterogeneous interlayer with globular aluminide particles and thin layers of pure Al, while the present study reveals variation in the solid Ti/molten Al reaction kinetics during various phases of laminated metal-intermetallic composite formation. The proposed mechanism considers formed during composite fabrication thin oxide interlayers between Ti and Al evolution and its impact on the intermetallic compound formation and explains the initial slow rate of intermetallic interlayer formation and its subsequent acceleration when the oxide foils are ruptured. (paper)

  1. Molecular structure and DFT investigations on new cobalt(II ...

    Indian Academy of Sciences (India)

    Sci. Vol. 127, No. 12, December 2015, pp. 2137–2149. c Indian Academy of Sciences. DOI 10.1007/s12039-015-0976-x. Molecular structure and DFT investigations on new cobalt(II) chloride complex with superbase guanidine type ligand. SAIED M SOLIMANa,b,∗, MORSY A M ABU-YOUSSEFb,∗. , JΦRG ALBERINGc and.

  2. Zinc (II) complexes of carboxamide derivatives: Crystal structures ...

    Indian Academy of Sciences (India)

    The two complexes were characterized by physicochemical and spectroscopic tools, and by X-ray crystal structures of both ligands and the complex 1. In complex 1, zinc(II) is chelated by three ligands with a distorted octahedral geometry. The DNA-binding properties of zinc complexes 1 and 2 have been investigated by ...

  3. Synthesis, crystal structure and catecholase activity of a Ni (II ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 126; Issue 6. Synthesis, crystal structure and catecholase activity of a Ni(II) complex derived from a tetradentate Schiff base ligand. Pradipta Kumar Basu Merry Mitra Amrita Ghosh Latibuddin Thander Chia -Her Lin Rajarshi Ghosh. Rapid Communications Volume 126 ...

  4. Syntheses, structures and properties of two dinuclear mercury (II ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 126; Issue 3. Syntheses, structures and properties of two dinuclear mercury(II) iodide compounds containing tetradentate tripodal amine/pentadentate N-donor Schiff base: Control of molecular and crystalline architectures by varying ligand matrices. Subhasis Roy ...

  5. Structure and membrane organization of photosystem II in green plants

    NARCIS (Netherlands)

    Hankamer, B; Barber, J; Boekema, EJ

    1997-01-01

    Photosystem II (PSII) is the pigment protein complex embedded in the thylakoid membrane of higher plants, algae, and cyanobacteria that uses solar energy to drive the photosynthetic water-splitting reaction. This chapter reviews the primary, secondary, tertiary, and quaternary structures of PSII as

  6. Controlling Non-Equilibrium Structure Formation on the Nanoscale.

    Science.gov (United States)

    Buchmann, Benedikt; Hecht, Fabian Manfred; Pernpeintner, Carla; Lohmueller, Theobald; Bausch, Andreas R

    2017-12-06

    Controlling the structure formation of gold nanoparticle aggregates is a promising approach towards novel applications in many fields, ranging from (bio)sensing to (bio)imaging to medical diagnostics and therapeutics. To steer structure formation, the DNA-DNA interactions of DNA strands that are coated on the surface of the particles have become a valuable tool to achieve precise control over the interparticle potentials. In equilibrium approaches, this technique is commonly used to study particle crystallization and ligand binding. However, regulating the structural growth processes from the nano- to the micro- and mesoscale remains elusive. Here, we show that the non-equilibrium structure formation of gold nanoparticles can be stirred in a binary heterocoagulation process to generate nanoparticle clusters of different sizes. The gold nanoparticles are coated with sticky single stranded DNA and mixed at different stoichiometries and sizes. This not only allows for structural control but also yields access to the optical properties of the nanoparticle suspensions. As a result, we were able to reliably control the kinetic structure formation process to produce cluster sizes between tens of nanometers up to micrometers. Consequently, the intricate optical properties of the gold nanoparticles could be utilized to control the maximum of the nanoparticle suspension extinction spectra between 525 nm and 600 nm. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Mechanism and conditions of the chessboard structure formation

    International Nuclear Information System (INIS)

    Ni, Yong; Khachaturyan, Armen G.

    2008-01-01

    The observations of the pseudo-periodical chessboard (CB) microstructure in metal and ceramic solid solutions indicate that this is a general phenomenon. We propose a theory and three-dimensional (3-D) computational modeling explaining the origin of the CB microstructure in the cubic → tetragonal decomposition. The 3-D modeling demonstrates that the formation of two-phase CB structures is contingent on the formation of a compositionally stabilized precursor state with the tweed structure that is spontaneously formed at the initial stage of the transformation. The modeling has shown that this tweed structure is a distribution of spatially correlated tetragonal nanodomains whose spatial arrangement has the CB topological features. This precursor tweed structure serves as a template for the precipitation of the equilibrium cubic phase. The CB-like tweed template channels the microstructure evolution towards the two-phase CB structure whose complex and detailed 3-D geometry is in excellent agreement with electron microscopic observations. The thermodynamic analysis and obtained evolution sequences allow us to formulate the necessary thermodynamic, structural and kinetic conditions for the CB structure formation. Reasons for its relative stability are discussed. It is also shown that the coherency between the cubic and tetragonal phases comprising the CB structure produces the stress-induced tetragonality of the cubic phase, orthorhombicity of the tetragonal phase, and rotations of cubic phase rods. These effects should diminish and disappear upon lifting of coherency

  8. Synthesis and characterisation of the Fe(II-III) hydroxy-formate green rust

    International Nuclear Information System (INIS)

    Refait, P.; Abdelmoula, M.; Genin, J.-M. R.; Jeannin, M.

    2006-01-01

    A new methodology was envisioned in order to prepare green rust compounds build on organic anions that could intervene in microbiologically influenced corrosion processes of iron and steel. The formate ion was chosen as an example. The formation of rust was simulated by the oxidation of aqueous suspensions of Fe(OH) 2 precipitated from Fe(II) lactate and sodium hydroxide, in the presence of sodium formate to promote the formation of the corresponding green rust. The evolution of the precipitate with time was followed by transmission Moessbauer spectroscopy at 15 K. It was observed that the initial hydroxide was transformed into a new GR compound. Its spectrum is composed of three quadrupole doublets, D 1 (δ = 1.28 mm s -1 , Δ = 2.75 mm s -1 ) and D 2 (δ = 1.28 mm s -1 , Δ 2.48 mm s -1 ) that correspond to Fe(II) and D 3 (δ = 0.49 mm s -1 , Δ = 0.37 mm s -1 ) that corresponds to Fe(III). The relative area of D 3 , close to the proportion of Fe(III) in the GR, was found at 28.5 ± 1.5% (∼2/7). Raman spectroscopy confirmed that the intermediate compound was a Fe(II-III) hydroxy-formate, GR(HCOO - ).

  9. Energy Levels, wavelengths and hyperfine structure measurements of Sc II

    Science.gov (United States)

    Hala, Fnu; Nave, Gillian

    2018-01-01

    Lines of singly ionized Scandium (Sc II) along with other Iron group elements have been observed [1] in the region surrounding the massive star Eta Carinae [2,3] called the strontium filament (SrF). The last extensive analysis of Sc II was the four-decade old work of Johansson & Litzen [4], using low-resolution grating spectroscopy. To update and extend the Sc II spectra, we have made observation of Sc/Ar, Sc/Ne and Sc/Ge/Ar hollow cathode emission spectrum on the NIST high resolution FT700 UV/Vis and 2 m UV/Vis/IR Fourier transform spectrometers (FTS). More than 850 Sc II lines have been measured in the wavelength range of 187 nm to 3.2 μm. connecting a total of 152 energy levels. The present work also focuses to resolve hyperfine structure (HFS) in Sc II lines. We aim to obtain accurate transition wavelengths, improved energy levels and HFS constants of Sc II. The latest results from work in progress will be presented.Reference[1] Hartman H, Gull T, Johansson S and Smith N 2004 Astron. Astrophys. 419 215[2] Smith N, Morse J A and Gull T R 2004 Astrophys. J. 605 405[3] Davidson K and Humphreys R M 1997 Annu. Rev. Astron. Astrophys. 35[4] Johansson S and Litzén U 1980 Phys. Scr. 22 49

  10. Analysis of a collagen II degradation protein C2C and a collagen II formation protein CP II in serum of Asian elephants (Elephas maximus).

    Science.gov (United States)

    Kilgallon, Conor P; Larsen, Scott; Wong, Alice; Yellowley, Clare

    2015-03-01

    Osteoarthritis is a major cause of chronic lameness in Asian elephants (Elephas maximus) in captivity worldwide. Radiology and other imaging technologies are of limited use in the early diagnosis of this condition in elephants. Collagen II is a major component of articular cartilage. The degradation and formation of collagen II can be monitored by the measurement of specific biomarkers in biologic fluids such as serum. It is possible that these biomarkers could also prove useful in identifying disease in elephants. In this study two commercially available immunoassays which measure a marker of collagen II degradation (C2C) and a marker of collagen II formation (CPII) were evaluated in Asian elephants. The ability of the assays to detect and measure C2C and CPII in the serum of Asian elephants was confirmed. Median serum concentration of C2C was 148 ng/L in nonlame elephants (n=33) and 91.2 ng/L in lame elephants (n=7). The difference was statistically significant (P=0.0002). Median serum concentration of CPII was 519.3 ng/L in nonlame elephants and 318.7 ng/L in lame elephants. The difference was also statistically significant (P=0.039). Whereas CPII concentrations in lame elephants mirrored findings from human and animal osteoarthritis studies, C2C concentrations did not. Further studies which evaluate these and other similar biomarkers are necessary to elucidate their usefulness in the diagnosis of osteoarthritis in proboscidae.

  11. Classification and description of world formation types. Part II (Description of formation types)

    Science.gov (United States)

    D. Faber-Langendoen; T. Keeler-Wolf; D. Meidinger; C. Josse; A. Weakley; D. Tart; G. Navarro; B. Hoagland; S. Ponomarenko; J.P. Saucier; G. Fults; E. Helmer

    2012-01-01

    A vegetation-ecologic classification approach has been developed in which a combination of vegetation attributes (physiognomy, structure, and floristics) and their response to ecological and biogeographic factors are used as the basis for classifying vegetation types (Faber-Langendoen et al. 2012). This approach can help support international, national and subnational...

  12. Alkali metal ion templated transition metal formate framework materials: synthesis, crystal structures, ion migration, and magnetism.

    Science.gov (United States)

    Eikeland, Espen; Lock, Nina; Filsø, Mette; Stingaciu, Marian; Shen, Yanbin; Overgaard, Jacob; Iversen, Bo Brummerstedt

    2014-10-06

    Four transition metal formate coordination polymers with anionic frameworks, namely, Na[Mn(HCOO)3], K[Mn(HCOO)3], Na2[Cu3(HCOO)8], and K2[Cu5(HCOO)12], were synthesized using a mild solution chemistry approach. Multitemperature single-crystal (100-300 K) and powder X-ray diffraction studies of the compounds reveal structures of large diversity ranging from cubic chiral Na-Mn formate to triclinic Na-Cu formate. The structural variety is caused by the nature of the transition metals, the alkali metal ion templation, and the versatility of the formate group, which offers metal-metal coordination through three different O-C-O bridging modes (syn-syn, syn-anti, anti-anti) in addition to metal-metal bridging via a single oxygen atom. The two manganese(II) compounds contain mononuclear, octahedrally coordinated moieties, but the three-dimensional connectivity between the manganese octahedra is very different in the two structures. The two copper frameworks, in contrast, consist of binuclear and mononuclear moieties (Na-Cu formate) and trinuclear and mononuclear moieties (K-Cu formate), respectively. Procrystal electron density analysis of the compounds indicates one-dimensional K(+)-ion conductivity in K-Mn and K-Cu, and the nature of the proposed potassium ion migration is compared with results from similar analysis on known Na(+) and K(+) ion conductors. K-Mn and Na-Mn were tested as cathode materials, but this resulted in poor reversibility due to low conductivity or structural collapse. The magnetic properties of the compounds were studied by vibrating sample magnetometric measurements, and their thermal stabilities were determined by thermogravimetric analysis and differential thermal analysis. Despite structural differences, the metal formates that contain the same transition metal have similar magnetic properties and thermal decomposition pathways, that is, the nature of the transition metal controls the compound properties.

  13. Discourse, Paragraph, and Sentence Structure in Selected Philippine Languages. Final Report. Volume II, Sentence Structure.

    Science.gov (United States)

    Longacre, Robert E.

    Volume II of "Discourse, Paragraph, and Sentence Structure in Selected Philippine Languages" begins with an explanation of certain assumptions and postulates regarding sentence structure. A detailed treatment of systems of sentence structure and the parameters of such systems follows. Data in the various indigenous languages are…

  14. Ox red-metric study of complex formation processes of manganese (II, III) in glycin aqueous solution

    International Nuclear Information System (INIS)

    Khamidov, B.O.; Offengenden, E.Ya.; Dikaya, I.R.; Yegorova, L.A.

    1992-01-01

    Present article is devoted to ox red-metric study of complex formation processes of manganese (II, III) in glycin aqueous solution. The possibility of application of ox red-metric method for study of complex formation processes of manganese (II, III) was shown. The composition of complex compounds was determined.

  15. Food Composition Database Format and Structure: A User Focused Approach.

    Science.gov (United States)

    Clancy, Annabel K; Woods, Kaitlyn; McMahon, Anne; Probst, Yasmine

    2015-01-01

    This study aimed to investigate the needs of Australian food composition database user's regarding database format and relate this to the format of databases available globally. Three semi structured synchronous online focus groups (M = 3, F = 11) and n = 6 female key informant interviews were recorded. Beliefs surrounding the use, training, understanding, benefits and limitations of food composition data and databases were explored. Verbatim transcriptions underwent preliminary coding followed by thematic analysis with NVivo qualitative analysis software to extract the final themes. Schematic analysis was applied to the final themes related to database format. Desktop analysis also examined the format of six key globally available databases. 24 dominant themes were established, of which five related to format; database use, food classification, framework, accessibility and availability, and data derivation. Desktop analysis revealed that food classification systems varied considerably between databases. Microsoft Excel was a common file format used in all databases, and available software varied between countries. User's also recognised that food composition databases format should ideally be designed specifically for the intended use, have a user-friendly food classification system, incorporate accurate data with clear explanation of data derivation and feature user input. However, such databases are limited by data availability and resources. Further exploration of data sharing options should be considered. Furthermore, user's understanding of food composition data and databases limitations is inherent to the correct application of non-specific databases. Therefore, further exploration of user FCDB training should also be considered.

  16. Food Composition Database Format and Structure: A User Focused Approach

    Science.gov (United States)

    Clancy, Annabel K.; Woods, Kaitlyn; McMahon, Anne; Probst, Yasmine

    2015-01-01

    This study aimed to investigate the needs of Australian food composition database user’s regarding database format and relate this to the format of databases available globally. Three semi structured synchronous online focus groups (M = 3, F = 11) and n = 6 female key informant interviews were recorded. Beliefs surrounding the use, training, understanding, benefits and limitations of food composition data and databases were explored. Verbatim transcriptions underwent preliminary coding followed by thematic analysis with NVivo qualitative analysis software to extract the final themes. Schematic analysis was applied to the final themes related to database format. Desktop analysis also examined the format of six key globally available databases. 24 dominant themes were established, of which five related to format; database use, food classification, framework, accessibility and availability, and data derivation. Desktop analysis revealed that food classification systems varied considerably between databases. Microsoft Excel was a common file format used in all databases, and available software varied between countries. User’s also recognised that food composition databases format should ideally be designed specifically for the intended use, have a user-friendly food classification system, incorporate accurate data with clear explanation of data derivation and feature user input. However, such databases are limited by data availability and resources. Further exploration of data sharing options should be considered. Furthermore, user’s understanding of food composition data and databases limitations is inherent to the correct application of non-specific databases. Therefore, further exploration of user FCDB training should also be considered. PMID:26554836

  17. Bifurcation of learning and structure formation in neuronal maps

    DEFF Research Database (Denmark)

    Marschler, Christian; Faust-Ellsässer, Carmen; Starke, Jens

    2014-01-01

    Most learning processes in neuronal networks happen on a much longer time scale than that of the underlying neuronal dynamics. It is therefore useful to analyze slowly varying macroscopic order parameters to explore a network's learning ability. We study the synaptic learning process giving rise ...... states as well. A simple time translation of the learning window function shifts the bifurcation point of structure formation and goes along with traveling waves in the map, without changing the animal's sound localization performance....... to map formation in the laminar nucleus of the barn owl's auditory system. Using equation-free methods, we perform a bifurcation analysis of spatio-temporal structure formation in the associated synaptic-weight matrix. This enables us to analyze learning as a bifurcation process and follow the unstable...

  18. Structural formation of aluminide phases on titanium alloy during annealing

    International Nuclear Information System (INIS)

    Mamaeva, A.A.; Romankov, S.E.; Sagdoldina, Zh.

    2006-01-01

    Full text: The aluminum layer on the surface of titanium alloy has been formed by thermal deposition. The structural formation of aluminide phases on the surface has been studied. The sequence of structural transformations at the Ti/Al interface is limited by the reaction temperature and time. The sequence of aluminide phase formation is occurred in compliance with Ti-Al equilibrium phase diagram. At the initial stages at the Ti/Al interface the Al3Ti alloy starts forming as a result of interdiffusion, and gradually the whole aluminum films is spent on the formation of this layer. The Al3Ti layer decomposes with the increase of temperature (>600C). At 800C the two-phase (Ti3Al+TiAl) layer is formed on the titanium surface. The TiAl compound is unstable and later on with the increase of the exposure time at 800C gradually transforms into the Ti3Al. The chain of these successive transformations leads to the formation of the continuous homogeneous layer consisting of the Ti3Al compound on the surface. At temperatures exceeding the allotropic transformation temperature (>900C) the Ti3Al compound starts decomposing. All structural changes taking place at the Ti/Al interface are accompanied by considerable changes in micro hardness. The structure of initial substrate influences on kinetics of phase transformation and microstructure development. (author)

  19. Low-temperature formation of silicon and silicon oxide structures

    NARCIS (Netherlands)

    Ishihara, R.; Trifunovic, M.; Van der Zwan, M.

    2016-01-01

    A method for low-temperature formation of a silicon/silicon-oxide structure on a substrate is described wherein the method comprises: forming a first (poly)silane layer over at least part of a substrate; transforming said first (poly)silane layer directly into a (crystalline) silicon layer by

  20. Testing Structure Formation in the Universe via Coupled Matter Fluids

    African Journals Online (AJOL)

    kagoyire

    the universe is dominated by two “dark” components- dark matter. (DM) and dark energy (DE)- that contribute about 26% and 69% respectively to the total cosmic energy budget, raises key questions about the nature of the “dark-sector” and large-scale structure formation (Planck Collaboration XVI, 2014). Motivated by a ...

  1. Structural and functional characteristics of plant proteinase inhibitor-II (PI-II) family.

    Science.gov (United States)

    Rehman, Shazia; Aziz, Ejaz; Akhtar, Wasim; Ilyas, Muhammad; Mahmood, Tariq

    2017-05-01

    Plant proteinase inhibitor-II (PI-II) proteins are one of the promising defensive proteins that helped the plants to resist against different kinds of unfavorable conditions. Different roles for PI-II have been suggested such as regulation of endogenous proteases, modulation of plant growth and developmental processes and mediating stress responses. The basic knowledge on genetic and molecular diversity of these proteins has provided significant insight into their gene structure and evolutionary relationships in various members of this family. Phylogenetic comparisons of these family genes in different plants suggested that the high rate of retention of gene duplication and inhibitory domain multiplication may have resulted in the expansion and functional diversification of these proteins. Currently, a large number of transgenic plants expressing PI-II genes are being developed for enhancing the defensive capabilities against insects, bacteria and pathogenic fungi. Much emphasis is yet to be given to exploit this ever expanding repertoire of genes for improving abiotic stress resistance in transgenic crops. This review presents an overview about the current knowledge on PI-II family genes, their multifunctional role in plant defense and physiology with their potential applications in biotechnology.

  2. Orogenic structural inheritance and rifted passive margin formation

    Science.gov (United States)

    Salazar Mora, Claudio A.; Huismans, Ritske S.

    2016-04-01

    Structural inheritance is related to mechanical weaknesses in the lithosphere due to previous tectonic events, e.g. rifting, subduction and collision. The North and South Atlantic rifted passive margins that formed during the breakup of Western Gondwana, are parallel to the older Caledonide and the Brasiliano-Pan-African orogenic belts. In the South Atlantic, 'old' mantle lithospheric fabric resulting from crystallographic preferred orientation of olivine is suggested to play a role during rifted margin formation (Tommasi and Vauchez, 2001). Magnetometric and gravimetric mapping of onshore structures in the Camamu and Almada basins suggest that extensional faults are controlled by two different directions of inherited older Brasiliano structures in the upper lithosphere (Ferreira et al., 2009). In the South Atlantic Campos Basin, 3D seismic data indicate that inherited basement structures provide a first order control on basin structure (Fetter, 2009). Here we investigate the role of structural inheritance on the formation of rifted passive margins with high-resolution 2D thermo-mechanical numerical experiments. The numerical domain is 1200 km long and 600 km deep and represents the lithosphere and the sublithospheric mantle. Model experiments were carried out by creating self-consistent orogenic inheritance where a first phase of orogen formation is followed by extension. We focus in particular on the role of varying amount of orogenic shortening, crustal rheology, contrasting styles of orogen formation on rifted margin style, and the time delay between orogeny and subsequent rifted passive formation. Model results are compared to contrasting structural styles of rifted passive margin formation as observed in the South Atlantic. Ferreira, T.S., Caixeta, J.M., Lima, F.D., 2009. Basement control in Camamu and Almada rift basins. Boletim de Geociências da Petrobrás 17, 69-88. Fetter, M., 2009. The role of basement tectonic reactivation on the structural evolution

  3. Hyperfine Structure and Isotope Shifts in Dy II

    Directory of Open Access Journals (Sweden)

    Dylan F. Del Papa

    2017-01-01

    Full Text Available Using fast-ion-beam laser-fluorescence spectroscopy (FIBLAS, we have measured the hyperfine structure (hfs of 14 levels and an additional four transitions in Dy II and the isotope shifts (IS of 12 transitions in the wavelength range of 422–460 nm. These are the first precision measurements of this kind in Dy II. Along with hfs and IS, new undocumented transitions were discovered within 3 GHz of the targeted transitions. These atomic data are essential for astrophysical studies of chemical abundances, allowing correction for saturation and the effects of blended lines. Lanthanide abundances are important in diffusion modeling of stellar interiors, and in the mechanisms and history of nucleosynthesis in the universe. Hfs and IS also play an important role in the classification of energy levels, and provide a benchmark for theoretical atomic structure calculations.

  4. Spectrophotometric Study of the Complex Formation of Anionic Chelates of Cobalt(II) with Monotetrazolium Cations

    Science.gov (United States)

    Divarova, V. V.; Stojnova, K. T.; Racheva, P. V.; Lekova, V. D.

    2017-05-01

    The complex formation and extraction of anionic chelates of Co(II)-4-(2-thiazolylazo)resorcinol (TAR) with cations of monotetrazolium salts (TS) — (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl-2H-tetrazolium bromide (MTT) and 3-(2-naphthyl)-2,5-diphenyl-2H-tetrazolium chloride (TV) — in the liquid-liquid extraction system Co(II)-TAR-TS-H2O-CHCl3 were studied by spectrophotometric methods. The optimum conditions for the extraction of Co(II) were found. The molar ratio of the components and the form of the anionic chelates of Co(II) in the extracted compounds were determined by independent methods. The association process in the aqueous phase and the extraction process were investigated and quantitatively characterized. The following key constants were calculated: association constant, distribution constant, extraction constant, and recovery factor. The validity of the Beer's law was checked, and some analytical characteristics were calculated. Based on the obtained results and the lower price of the monotetrazolium salt MTT compared with that of TV, the ion-associated complex of Co(II)-TAR-MTT can be implemented for determination of cobalt(II) traces in alloys and biological, medical, and pharmaceutical samples.

  5. Flexible Structure Control Scheme of a UAVs Formation to Improve the Formation Stability During Maneuvers

    Directory of Open Access Journals (Sweden)

    Kownacki Cezary

    2017-09-01

    Full Text Available One of the issues related to formation flights, which requires to be still discussed, is the stability of formation flight in turns, where the aerodynamic conditions can be substantially different for outer vehicles due to varying bank angles. Therefore, this paper proposes a decentralized control algorithm based on a leader as the reference point for followers, i.e. other UAVs and two flocking behaviors responsible for local position control, i.e. cohesion and repulsion. But opposite to other research in this area, the structure of the formation becomes flexible (structure is being reshaped and bent according to actual turn radius of the leader. During turns the structure is bent basing on concentred circles with different radiuses corresponding to relative locations of vehicles in the structure. Simultaneously, UAVs' air-speeds must be modified according to the length of turn radius to achieve the stability of the structure. The effectiveness of the algorithm is verified by the results of simulated flights of five UAVs.

  6. Crystal structure of bis(4-acetylanilinium tetrachloridocobaltate(II

    Directory of Open Access Journals (Sweden)

    Manickam Thairiyaraja

    2015-12-01

    Full Text Available The structure of the title salt, (C8H10NO2[CoCl4], is isotypic with the analogous cuprate(II structure. The asymmetric unit contains one 4-acetylanilinium cation and one half of a tetrachloridocobaltate(II anion for which the CoII atom and two Cl− ligands lie on a mirror plane. The Co—Cl distances in the distorted tetrahedral anion range from 2.2519 (6 to 2.2954 (9 Å and the Cl—Co—Cl angles range from 106.53 (2 to 110.81 (4°. In the crystal, cations are self-assembled by intermolecular N—H...O hydrogen-bonding interactions, leading to a C(8 chain motif with the chains running parallel to the b axis. π–π stacking interactions between benzene rings, with a centroid-to-centroid distance of 3.709 Å, are also observed along this direction. The CoCl42− anions are sandwiched between the cationic chains and interact with each other through intermolecular N—H...Cl hydrogen-bonding interactions, forming a three-dimensional network structure.

  7. Structure, assembly and energy transfer of plant photosystem II supercomplex.

    Science.gov (United States)

    Cao, Peng; Su, Xiaodong; Pan, Xiaowei; Liu, Zhenfeng; Chang, Wenrui; Li, Mei

    2018-03-14

    Around photosystem II (PSII), the peripheral antenna system absorbs sunlight energy and transfers it to the core complex where the water-splitting and oxygen-evolving reaction takes place. The peripheral antennae in plants are composed of various light-harvesting complexes II (LHCII). Recently, the three-dimensional structure of the C 2 S 2 M 2 -type PSII-LHCII supercomplex from Pisum sativum (PsPSII) has been solved at 2.7-Å resolution using the single-particle cryo-electron microscopy method. The large homodimeric supercomplex has a total molecular weight of >1400 kDa. Each monomer has a core complex surrounded by strongly and moderately bound LHCII trimers, as well as CP29, CP26, and CP24 monomers. Here, we review and present a detailed analysis of the structural features of this supramolecular machinery. Specifically, we discuss the structural differences around the oxygen-evolving center of PSII from different species. Furthermore, we summarize the existing knowledge of the structures and locations of peripheral antenna complexes, and dissect the excitation energy transfer pathways from the peripheral antennae to the core complex. This detailed high-resolution structural information provides a solid basis for understanding the functional behavior of plant PSII-LHCII supercomplex. Copyright © 2018 Elsevier B.V. All rights reserved.

  8. Issues of structure formation of multi-component construction materials

    Directory of Open Access Journals (Sweden)

    Sidorenko Yulia

    2017-01-01

    Full Text Available Growing volumes of construction result in the rising demand for high-quality wall materials and products, growing relevance of availability of resource and raw-material base of natural and industrial products for the construction industry. Structural, physical and mechanical qualities of these products can be improved through systematical selection of compositions based on natural and raw materials, including nano-scale products. The goal of this paper is to provide rationale for structure formation mechanisms of multicomponent materials (silica-lime, silicate, cement materials, with the possibility of using nano-scale products in their production. The primary mechanism of directed structure formation at the interface boundaries of binders are nano- and ultra-disperse particles with high absorption and adhesion properties, which are primarily intended to strengthen the contact area (one of the key structural units of multicomponent binders. The knowledge of genesis, chemical, mineralogical, and phase compositions, as well as specific features of formation of nano-technological raw materials, enables optimization of construction product properties. Using the small-angle neutron scattering method, we identified granulometric and surface properties of a series of nano-technological products (binary and sludge and materials where such products are used, which enabled us to design optimal mixture compositions and parameters of pressing operations.

  9. Structure Learning and Statistical Estimation in Distribution Networks - Part II

    Energy Technology Data Exchange (ETDEWEB)

    Deka, Deepjyoti [Univ. of Texas, Austin, TX (United States); Backhaus, Scott N. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Chertkov, Michael [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2015-02-13

    Limited placement of real-time monitoring devices in the distribution grid, recent trends notwithstanding, has prevented the easy implementation of demand-response and other smart grid applications. Part I of this paper discusses the problem of learning the operational structure of the grid from nodal voltage measurements. In this work (Part II), the learning of the operational radial structure is coupled with the problem of estimating nodal consumption statistics and inferring the line parameters in the grid. Based on a Linear-Coupled(LC) approximation of AC power flows equations, polynomial time algorithms are designed to identify the structure and estimate nodal load characteristics and/or line parameters in the grid using the available nodal voltage measurements. Then the structure learning algorithm is extended to cases with missing data, where available observations are limited to a fraction of the grid nodes. The efficacy of the presented algorithms are demonstrated through simulations on several distribution test cases.

  10. Structure of the Ni(II) complex of Escherichia coli peptide deformylase and suggestions on deformylase activities depending on different metal(II) centres.

    Science.gov (United States)

    Yen, Ngo Thi Hai; Bogdanović, Xenia; Palm, Gottfried J; Kühl, Olaf; Hinrichs, Winfried

    2010-02-01

    Crystal structures of polypeptide deformylase (PDF) of Escherichia coli with nickel(II) replacing the native iron(II) have been solved with chloride and formate as metal ligands. The chloro complex is a model for the correct protonation state of the hydrolytic hydroxo ligand and the protonated status of the Glu133 side chain as part of the hydrolytic mechanism. The ambiguity that recently some PDFs have been identified with Zn(2+) ion as the active-site centre whereas others are only active with Fe(2+) (or Co(2+), Ni(2+) is discussed with respect to Lewis acid criteria of the metal ion and substrate activation by the CD loop.

  11. Effect of pre-heated composites and flowable liners on Class II gingival margin gap formation.

    Science.gov (United States)

    Sabatini, Camila; Blunck, Uwe; Denehy, Gerald; Munoz, Carlos

    2010-01-01

    To evaluate the effect of preheated composites (PHC) and flowable liners (FL) on the gingival margin gap formation of Class II composite restorations compared to the placement of room temperature composites (RTC). Class II composite restorations were prepared on 40 extracted mandibular third molars, with the gingival margin located 1 mm below the CEJ in dentin. Optibond FL (Kerr), microhybrid Filtek Z-250 (3M ESPE) and Flow-It (Jeneric Pentron) were used to evaluate five study groups: 1) PHC, 130 degrees F/54.4 degrees C; 2) PHC, 155 degrees F/68.3 degrees C; 3) FL cured prior to the first increment composite; 4) FL cured simultaneously with the first increment composite and 5) RTC (Control). Impressions were taken with quick set polyvinyl siloxane impression material, and epoxy resin replicas were evaluated under SEM (200x). Gingival margin adaptation was quantitatively evaluated in terms of percentage of gap formation according to a modified ordinal scoring criteria. All margins were evaluated twice for reliability assessment. A non-parametric Kruskal-Wallis test was used to determine whether significant differences in gap formation existed among the study groups. A high level of agreement was observed between duplicate measurements of the percentage of gap formation (intra-class correlation = 0.956, p high degree of intra-examiner reliability was confirmed.

  12. Black Hole Mergers as Probes of Structure Formation

    Science.gov (United States)

    Alicea-Munoz, Emily

    2008-01-01

    Observations of gravitational waves from massive black hole (MBH) mergers can provide us with important clues about the era of structure formation in the early universe. Previous research in this field has been limited to calculating merger rates of MBHs using different models where many assumptions are made about the specific values of physical parameters of the mergers, resulting in merger rate estimates that span 5 to 6 orders of magnitude. We develop a semi-analytical, phenomenological model that includes plausible combinations of several physical parameters involved in the mergers. which we then turn around to determine how well LISA observations will be able to enhance our understanding of the universe during the critical z approximately equal to 5-30 structure formation era. We do this by generating synthetic LISA observable data (masses, redshifts, merger rates), which are then analyzed using a Markov Chain Monte Carlo (MCMC) method. This allows us to constrain the physical parameters of the mergers.

  13. Structural and magnetic phase formation in nanophase brass–iron ...

    Indian Academy of Sciences (India)

    November 2005 physics pp. 847–854. Structural and magnetic phase formation in nanophase brass–iron electron compounds. A K MISHRA and C BANSAL. School of Physics, University of Hyderabad, Hyderabad 500 046, India. E-mail: cbsp@uohyd.ernet.in. Abstract. Starting with Cu0.65Zn0.35 with an e/a ratio of 1.35 we ...

  14. Sequestration and Distribution Characteristics of Cd(II) by Microcystis aeruginosa and Its Role in Colony Formation.

    Science.gov (United States)

    Bi, Xiangdong; Yan, Ran; Li, Fenxiang; Dai, Wei; Jiao, Kewei; Zhou, Qixing; Liu, Qi

    2016-01-01

    To investigate the sequestration and distribution characteristics of Cd(II) by Microcystis aeruginosa and its role in Microcystis colony formation, M. aeruginosa was exposed to six different Cd(II) concentrations for 10 days. Cd(II) exposure caused hormesis in the growth of M. aeruginosa . Low concentrations of Cd(II) significantly induced formation of small Microcystis colonies ( P bEPS) contents of M. aeruginosa significantly ( P 93% of Cd(II) was sequestrated in the groups with lower added concentrations of Cd(II). More than 80% of the sequestrated Cd(II) was bioadsorbed by bEPS. The Pearson correlation coefficients of exterior and interior factors related to colony formation of M. aeruginosa revealed that Cd(II) could stimulate the production of IPS and bEPS via increasing Cd(II) bioaccumulation and bioadsorption. Increased levels of cross-linking between Cd(II) and bEPS stimulated algal cell aggregation, which eventually promoted the formation of Microcystis colonies.

  15. Heterometallic Pd(II)-Ni(II) complexes with meso-substituted dibenzotetraaza[14]annulene: double C-H bond activation and formation of a rectangular tetradibenzotetraaza[14]annulene.

    Science.gov (United States)

    Khaledi, Hamid; Olmstead, Marilyn M; Fukuda, Takamitsu; Ali, Hapipah Mohd

    2014-11-03

    Three isomeric 2[Pd(II)-Ni(II)] metal complexes, derived from indoleninyl meso-substituted dibenzotetraaza[14]annulene, were synthesized. The resulting dimers feature Ni···Ni or, alternatively, Ni···π interactions in staggered or slipped cofacial structures. A remarkable insertion of palladium into two different C-H bonds yielded a 4[Pd(II)-Ni(II)] rectangular complex with dimensions of 8.73 × 10.38 Å.

  16. Kinetics of structure formation in PP/layered silicate nanocomposites

    Directory of Open Access Journals (Sweden)

    2009-11-01

    Full Text Available Polypropylene (PP/organophilized montmorillonite (OMMT and polypropylene/organophilized montmorillonite/maleic anhydride grafted polypropylene (MAPP composites were prepared in an internal mixer under a wide range of processing conditions to study the kinetics of structure formation. Structure and properties were characterized by a variety of techniques. The gallery structure of the organophilic silicate changed in spite of the fact that no compatibilizer was added to PP/OMMT composites. Silicate reflection shifted towards smaller 2θangles, broadened and its intensity decreased indicating intercalation. Transmission electron microscopy (TEM micrographs even showed individual platelets at long mixing times. However, the extent and direction of changes in the gallery structure of the silicate did not justify those observed in properties. The analysis of the results and additional experiments proved that the degradation of the polymer also takes place during processing leading to the formation of carbonyl and/or carboxyl groups, as well as to the decrease of molecular weight. The modification of the chain structure of the polymer influences interfacial interactions and the intercalation process. Some properties are directly determined by molecular weight (rheological properties, elongation. Both the clay and the MAPP seem to accelerate degradation. Thermooxidative degradation must have disadvantageous effect during the application of PP nanocomposites and needs further study.

  17. Neutral (bis-beta-diketonato) iron(III), cobalt(II), nickel(II), copper(II) and zinc(II) metallocycles: structural, electrochemical and solvent extraction studies.

    Science.gov (United States)

    Clegg, Jack K; Bray, David J; Gloe, Kerstin; Gloe, Karsten; Hayter, Michael J; Jolliffe, Katrina A; Lawrance, Geoffrey A; Meehan, George V; McMurtrie, John C; Lindoy, Leonard F; Wenzel, Marco

    2007-05-07

    Neutral dimeric metallocyclic complexes of type [M(2)(L(1))(2)B(n)] (where M = cobalt(II), nickel(II) and zinc(II), L(1) is the doubly deprotonated form of a 1,3-aryl linked bis-beta-diketone ligand of type 1,3-bis(RC(O)CH(2)C(O))C(6)H(4) (R=Me, n-Pr, t-Bu) and B is pyridine (Py) or 4-ethylpyridine (EtPy)) have been synthesised, adding to similar complexes already reported for copper(II). New lipophilic ligand derivatives with R = octyl or nonyl were also prepared for use in solvent extraction experiments. Structural, electrochemical and solvent extraction investigations of selected metal complex systems from the above series are reported, with the X-ray structures of [Co(2)(L(1))(2)(Py)(4)] x 2.25CHCl(3) x 0.5H(2)O (R=Pr), [Co(2)(L(1))(2)(EtPy)(4)] (R=t-Bu), [Ni(2)(L(1))(2)(EtPy)(4)] (R=t-Bu), [Zn(2)(L(1))(2)(EtPy)(2)] (R=Me) and [Zn(2)(L(1))(2)(EtPy)(4)] (R=t-Bu) being presented. The electrochemistry of H(2)L(1) (R=t-Bu) and of [Fe(2)(L(1))(3)], [Co(2)(L(1))(2)(Py)(4)], [Ni(2)(L(1))(2)(Py)(4)], [Cu(2)(L(1))(2)] and [Zn(2)(L(1))(2)(Py)(2)] has been examined. Oxidative processes for the complexes are dominantly irreversible, but several examples of quasireversible behaviour were observed and support the assignment of an anodic process, seen between +1.0 and +1.6 V, as a metal-centred oxidation. The reduction processes for the respective metal complexes are not simple, and irreversible in most cases. Solvent extraction studies (water/chloroform) involving variable concentrations of metal, bis-beta-diketone and heterocyclic base have been performed for cobalt(II) and zinc(II) using a radiotracer technique to probe the stoichiometries of the extracted species in each case. Synergism was observed when 4-ethylpyridine was added to the bis-beta-diketone ligand in the chloroform phase. Competitive extraction studies show a clear uptake preference for copper(II) over cobalt(II), nickel(II), zinc(II) and cadmium(II).

  18. Perivascular Adipose Tissue Angiotensin II Type 1 Receptor Promotes Vascular Inflammation and Aneurysm Formation.

    Science.gov (United States)

    Sakaue, Tomoki; Suzuki, Jun; Hamaguchi, Mika; Suehiro, Chika; Tanino, Akiko; Nagao, Tomoaki; Uetani, Teruyoshi; Aono, Jun; Nakaoka, Hirotomo; Kurata, Mie; Sakaue, Tomohisa; Okura, Takafumi; Yasugi, Takumi; Izutani, Hironori; Higaki, Jitsuo; Ikeda, Shuntaro

    2017-10-01

    Perivascular adipose tissue exhibits characteristics of active local inflammation, which contributes to the development of atherosclerotic disease as a complication of obesity/metabolic syndrome. However, the precise role of perivascular adipose tissue in the progression of abdominal aortic aneurysm remains unclear. To test the hypothesis that genetic deletion of angiotensin II type 1a (AT 1a ) receptor in perivascular visceral adipose tissue (VAT) can attenuate aortic aneurysm formation in apolipoprotein E-deficient (ApoE -/- ) mice, we performed adipose tissue transplantation experiments by using an angiotensin II-induced aneurysm murine model, in which we transplanted VAT from ApoE -/- or ApoE -/- AT 1a -/- donor mice onto the abdominal aorta of ApoE -/- recipient mice. Compared with ApoE -/- VAT transplantation, ApoE -/- AT 1a -/- VAT transplantation markedly attenuated aortic aneurysm formation, macrophage infiltration, and gelatinolytic activity in the abdominal aorta. AT 1a receptor activation led to the polarization of macrophages in perivascular VAT toward the proinflammatory phenotype. Moreover, osteopontin expression and gelatinolytic activity were considerably lower in ApoE -/- AT 1a -/- perivascular VAT than in ApoE -/- perivascular VAT, and angiotensin II-induced osteopontin secretion from adipocytes was eliminated after deletion of AT 1a receptor in adipocytes. Notably, induction of macrophage migration by conditioned medium from angiotensin II-stimulated wild-type adipocytes was suppressed by treatment with an osteopontin-neutralizing antibody, and ApoE -/- OPN -/- VAT transplantation more potently attenuated aortic aneurysm formation than ApoE -/- VAT transplantation. Our findings indicate a previously unrecognized effect of AT 1a receptor in perivascular VAT on the pathogenesis of abdominal aortic aneurysm. © 2017 American Heart Association, Inc.

  19. One-dimensional Co(II)/Ni(II) complexes of 2-hydroxyisophthalate: Structures and magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Kai [Coordination Chemistry Institute, State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China); State Key Laboratory Cultivation Base for the Chemistry and Molecular Engineering of Medicinal Resources, School of Chemistry and Pharmacy, Guangxi Normal University, Guilin 541004 (China); Zou, Hua-Hong; Chen, Zi-Lu; Zhang, Zhong [State Key Laboratory Cultivation Base for the Chemistry and Molecular Engineering of Medicinal Resources, School of Chemistry and Pharmacy, Guangxi Normal University, Guilin 541004 (China); Sun, Wei-Yin [Coordination Chemistry Institute, State Key Laboratory of Coordination Chemistry, School of Chemistry and Chemical Engineering, Nanjing National Laboratory of Microstructures, Nanjing University, Nanjing 210093 (China); Liang, Fu-Pei, E-mail: fliangoffice@yahoo.com [State Key Laboratory Cultivation Base for the Chemistry and Molecular Engineering of Medicinal Resources, School of Chemistry and Pharmacy, Guangxi Normal University, Guilin 541004 (China); College of Chemistry and Bioengineering, Guilin University of Technology, Guilin 541004 (China)

    2015-03-15

    The solvothermal reactions of 2-hydroxyisophthalic acid (H{sub 3}ipO) with M(NO{sub 3}){sub 2}∙6H{sub 2}O (M=Co, Ni) afforded two complexes [Co{sub 2}(HipO){sub 2}(Py){sub 2}(H{sub 2}O){sub 2}] (1) and [Ni(HipO)(Py)H{sub 2}O] (2) (Py=pyridine). They exhibit similar zig-zag chain structures with the adjacent two metal centers connected by a anti-syn bridging carboxylate group from the HipO{sup 2−} ligand. The magnetic measurements reveal the dominant antiferromagnetic interactions and spin-canting in 1 while ferromagnetic interactions in 2. Both of them exhibit magnetocaloric effect (MCE) with the resulting entropy changes (−ΔS{sub m}) of 12.51 J kg{sup −1} K{sup −1} when ΔH=50 kOe at 3 K for 1 and 11.01 J kg{sup −1} K{sup −1} when ΔH=50 kOe at 3 K for 2, representing the rare examples of one-dimensional complexes with MCE. - Graphical abstract: Synopsis: Two Co(II)/Ni(II) complexes with zig-zag chain structures have been reported. 1-Co shows cant-antiferromagnetism while 2-Ni shows ferromagnetism. Magnetocaloric effect is also found in both of them. - Highlights: • Two one-dimensional Co(II)/Ni(II) complexes were solvothermally synthesized. • The Co-complex exhibits canted antiferromagnetism. • The Ni-complex exhibits ferromagnetism. • Both of the complexes display magnetocaloric effect.

  20. Wavelengths, energy levels and hyperfine structure of Mn II and Sc II.

    Science.gov (United States)

    Nave, Gillian; Pickering, Juliet C.; Townley-Smith, Keeley I. M.; Hala, .

    2015-08-01

    For many decades, the Atomic Spectroscopy Groups at the National Institute of Standards and Technology (NIST) and Imperial College London (ICL) have measured atomic data of astronomical interest. Our spectrometers include Fourier transform (FT) spectrometers at NIST and ICL covering the region 1350 Å to 5.5 μm and a 10.7-m grating spectrometer at NIST covering wavelengths from 300 - 5000 Å. Sources for these spectra include high-current continuous and pulsed hollow cathode (HCL) lamps, Penning discharges, and sliding spark discharges. Recent work has focused on the measurement and analysis of wavelengths, energy levels, and hyperfine structure (HFS) constants for iron-group elements. The analysis of FT spectra of Cr I, Mn I, and Mn II is being led by ICL and is described in a companion poster [1]. Current work being led by NIST includes the analysis of HFS in Mn II, analysis of Mn II in the vacuum ultraviolet, and a comprehensive analysis of Sc II.Comprehensive HFS constants for Mn II are needed for the interpretation of stellar spectra and incorrect abundances may be obtained when HFS is omitted. Holt et al. [2] have measured HFS constants for 59 levels of Mn II using laser spectroscopy. We used FT spectra of Mn/Ni and Mn/Cu HCLs covering wavelength ranges from 1350 Å to 5.4 μm to confirm 26 of the A constants of Holt et al. and obtain values for roughly 40 additional levels. We aim to obtain HFS constants for the majority of lines showing significant HFS that are observed in chemically-peculiar stars.Spectra of Sc HCLs have been recorded from 1800 - 6700 Å using a vacuum ultraviolet FT spectrometer at NIST. Additional measurements to cover wavelengths above 6700 Å and below 1800 Å are in progress. The spectra are being analyzed by NIST and Alighar Muslim University, India in order to derive improved wavelengths, energy levels, and hyperfine structure parameters.This work was partially supported by NASA, the STFC and PPARC (UK), the Royal Society of the UK

  1. Endoplasmic Reticulum Stress-Associated Lipid Droplet Formation and Type II Diabetes

    Directory of Open Access Journals (Sweden)

    Xuebao Zhang

    2012-01-01

    Full Text Available Diabetes mellitus (DM, a metabolic disorder characterized by hyperglycemia, is caused by insufficient insulin production due to excessive loss of pancreatic β cells (type I diabetes or impaired insulin signaling due to peripheral insulin resistance (type II diabetes. Pancreatic β cell is the only insulin-secreting cell type that has highly developed endoplasmic reticulum (ER to cope with high demands of insulin synthesis and secretion. Therefore, ER homeostasis is crucial to the proper function of insulin signaling. Accumulating evidence suggests that deleterious ER stress and excessive intracellular lipids in nonadipose tissues, such as myocyte, cardiomyocyte, and hepatocyte, cause pancreatic β-cell dysfunction and peripheral insulin resistance, leading to type II diabetes. The excessive deposition of lipid droplets (LDs in specialized cell types, such as adipocytes, hepatocytes, and macrophages, has been found as a hallmark in ER stress-associated metabolic diseases, including obesity, diabetes, fatty liver disease, and atherosclerosis. However, much work remains to be done in understanding the mechanism by which ER stress response regulates LD formation and the pathophysiologic role of ER stress-associated LD in metabolic disease. This paper briefly summarizes the recent advances in ER stress-associated LD formation and its involvement in type II diabetes.

  2. Chinese lexical networks: The structure, function and formation

    Science.gov (United States)

    Li, Jianyu; Zhou, Jie; Luo, Xiaoyue; Yang, Zhanxin

    2012-11-01

    In this paper Chinese phrases are modeled using complex networks theory. We analyze statistical properties of the networks and find that phrase networks display some important features: not only small world and the power-law distribution, but also hierarchical structure and disassortative mixing. These statistical traits display the global organization of Chinese phrases. The origin and formation of such traits are analyzed from a macroscopic Chinese culture and philosophy perspective. It is interesting to find that Chinese culture and philosophy may shape the formation and structure of Chinese phrases. To uncover the structural design principles of networks, network motif patterns are studied. It is shown that they serve as basic building blocks to form the whole phrase networks, especially triad 38 (feed forward loop) plays a more important role in forming most of the phrases and other motifs. The distinct structure may not only keep the networks stable and robust, but also be helpful for information processing. The results of the paper can give some insight into Chinese language learning and language acquisition. It strengthens the idea that learning the phrases helps to understand Chinese culture. On the other side, understanding Chinese culture and philosophy does help to learn Chinese phrases. The hub nodes in the networks show the close relationship with Chinese culture and philosophy. Learning or teaching the hub characters, hub-linking phrases and phrases which are meaning related based on motif feature should be very useful and important for Chinese learning and acquisition.

  3. A non-ideal MHD model for structure formation

    Science.gov (United States)

    Karmakar, Pralay Kumar; Sarma, Pankaj

    2018-02-01

    The evolutionary initiation dynamics of triggered planetary structure formation is indeed a complex process yet to be well understood. We herein develop a theoretical classical model to see the gravitational fragmentation kinetics of the viscoelastic non-ideal magneto-hydro-dynamic (MHD) fabric. The inhomogeneous planetary disk is primarily composed of heavier dust grains (strongly correlated) together with relatively lighter electrons, ions and neutrals (weakly correlated) in a mean-fluidic approximation. A normal harmonic mode analysis results in a quadratic dispersion relation of a unique shape. It is demonstrated that the growth rate of the MHD fluctuations (magnetosonic) contributing to the planet formation rate, apart from the wave vector and its projection orientation, has a pure explicit dependency on the viscoelastic parameters. The analysis specifically shows that the effective generalized viscosity (χ) , viscoelastic relaxation time (τm) , and K-orientation (θ) play as destabilizing agencies against the non-local gravitational disk collapse. The relevancy is briefly indicated in the real astronomical context of bounded planetary structure formation and evolution.

  4. The Three-Dimensional Structural Basis of Type II Hyperprolinemia

    Energy Technology Data Exchange (ETDEWEB)

    Srivastava, Dhiraj; Singh, Ranjan K.; Moxley, Michael A.; Henzl, Michael T.; Becker, Donald F.; Tanner, John J. (UNL); (UMC)

    2012-08-31

    Type II hyperprolinemia is an autosomal recessive disorder caused by a deficiency in {Delta}{sup 1}-pyrroline-5-carboxylate dehydrogenase (P5CDH; also known as ALDH4A1), the aldehyde dehydrogenase that catalyzes the oxidation of glutamate semialdehyde to glutamate. Here, we report the first structure of human P5CDH (HsP5CDH) and investigate the impact of the hyperprolinemia-associated mutation of Ser352 to Leu on the structure and catalytic properties of the enzyme. The 2. 5-{angstrom}-resolution crystal structure of HsP5CDH was determined using experimental phasing. Structures of the mutant enzymes S352A (2.4 {angstrom}) and S352L (2.85 {angstrom}) were determined to elucidate the structural consequences of altering Ser352. Structures of the 93% identical mouse P5CDH complexed with sulfate ion (1.3 {angstrom} resolution), glutamate (1.5 {angstrom}), and NAD{sup +} (1.5 {angstrom}) were determined to obtain high-resolution views of the active site. Together, the structures show that Ser352 occupies a hydrophilic pocket and is connected via water-mediated hydrogen bonds to catalytic Cys348. Mutation of Ser352 to Leu is shown to abolish catalytic activity and eliminate NAD{sup +} binding. Analysis of the S352A mutant shows that these functional defects are caused by the introduction of the nonpolar Leu352 side chain rather than the removal of the Ser352 hydroxyl. The S352L structure shows that the mutation induces a dramatic 8-{angstrom} rearrangement of the catalytic loop. Because of this conformational change, Ser349 is not positioned to interact with the aldehyde substrate, conserved Glu447 is no longer poised to bind NAD{sup +}, and Cys348 faces the wrong direction for nucleophilic attack. These structural alterations render the enzyme inactive.

  5. Reaction of Pb(II) and Zn(II) with Ethyl Linoleate To Form Structured Hybrid Inorganic–Organic Complexes: A Model for Degradation in Historic Paint Films

    Energy Technology Data Exchange (ETDEWEB)

    MacDonald, Margaret G.; Palmer, Michael R.; Suchomel, Matthew R.; Berrie, Barbara H. (NGA); (Bordeaux)

    2016-09-23

    To investigate soap formation in drying oils in historic paints, the reaction between metal acetates (K+, Zn2+, Pb2+) and ethyl linoleate (EL) was studied using optical microscopy, X-ray powder diffraction, and electron microscopy. Pb(II) and Zn(II) react rapidly with EL to form highly structured, spherulitic, luminescent crystallites that aggregate. Evidence from Fourier transform infrared (FTIR) and scanning electron microscopy/energy dispersive X-ray analysis and high-resolution synchrotron powder X-ray diffraction indicates that these are organic–inorganic hybrid complexes or coordination polymers. FTIR absorbance peaks at ca. 1540 cm–1 for Pb(II) and ca. 1580 cm–1 for Zn(II) are consistent with the formation of carboxylate complexes. The complexes formed offer insight into the degradation processes observed in oil paint films, suggesting that soap formation is rapid when metal ions are solubilized and can occur with unsaturated fatty acids that are present in fresh oils. These complexes may account for the atypical luminescence observed in lead-containing cured oil paint films.

  6. How the First Stars Regulated Star Formation. II. Enrichment by Nearby Supernovae

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Ke-Jung [Division of Theoretical Astronomy, National Astronomical Observatory of Japan, Tokyo 181-8588 (Japan); Whalen, Daniel J. [Institute of Cosmology and Gravitation, Portsmouth University, Portsmouth (United Kingdom); Wollenberg, Katharina M. J.; Glover, Simon C. O.; Klessen, Ralf S., E-mail: ken.chen@nao.ac.jp [Zentrum für Astronomie, Institut für Theoretische Astrophysik, Universität Heidelberg (Germany)

    2017-08-01

    Metals from Population III (Pop III) supernovae led to the formation of less massive Pop II stars in the early universe, altering the course of evolution of primeval galaxies and cosmological reionization. There are a variety of scenarios in which heavy elements from the first supernovae were taken up into second-generation stars, but cosmological simulations only model them on the largest scales. We present small-scale, high-resolution simulations of the chemical enrichment of a primordial halo by a nearby supernova after partial evaporation by the progenitor star. We find that ejecta from the explosion crash into and mix violently with ablative flows driven off the halo by the star, creating dense, enriched clumps capable of collapsing into Pop II stars. Metals may mix less efficiently with the partially exposed core of the halo, so it might form either Pop III or Pop II stars. Both Pop II and III stars may thus form after the collision if the ejecta do not strip all the gas from the halo. The partial evaporation of the halo prior to the explosion is crucial to its later enrichment by the supernova.

  7. STAR FORMATION IN SELF-GRAVITATING DISKS IN ACTIVE GALACTIC NUCLEI. II. EPISODIC FORMATION OF BROAD-LINE REGIONS

    International Nuclear Information System (INIS)

    WangJianmin; Du Pu; Ge Junqiang; Hu Chen; Baldwin, Jack A.; Ferland, Gary J.

    2012-01-01

    This is the second in a series of papers discussing the process and effects of star formation in the self-gravitating disk around the supermassive black holes in active galactic nuclei (AGNs). We have previously suggested that warm skins are formed above the star-forming (SF) disk through the diffusion of warm gas driven by supernova explosions. Here we study the evolution of the warm skins when they are exposed to the powerful radiation from the inner part of the accretion disk. The skins initially are heated to the Compton temperature, forming a Compton atmosphere (CAS) whose subsequent evolution is divided into four phases. Phase I is the duration of pure accumulation supplied by the SF disk. During phase II clouds begin to form due to line cooling and sink to the SF disk. Phase III is a period of preventing clouds from sinking to the SF disk through dynamic interaction between clouds and the CAS because of the CAS overdensity driven by continuous injection of warm gas from the SF disk. Finally, phase IV is an inevitable collapse of the entire CAS through line cooling. This CAS evolution drives the episodic appearance of broad-line regions (BLRs). We follow the formation of cold clouds through the thermal instability of the CAS during phases II and III, using linear analysis. Since the clouds are produced inside the CAS, the initial spatial distribution of newly formed clouds and angular momentum naturally follow the CAS dynamics, producing a flattened disk of clouds. The number of clouds in phases II and III can be estimated, as well as the filling factor of clouds in the BLR. Since the cooling function depends on the metallicity, the metallicity gradients that originate in the SF disk give rise to different properties of clouds in different radial regions. We find from the instability analysis that clouds have column density N H ∼ 22 cm –2 in the metal-rich regions whereas they have N H ∼> 10 22 cm –2 in the metal-poor regions. The metal-rich clouds

  8. Sequestration of chelated copper by structural Fe(II): Reductive decomplexation and transformation of Cu{sup II}-EDTA

    Energy Technology Data Exchange (ETDEWEB)

    He, Hongping [State Key Laboratory of Pollution Control and Resources Reuse, School of Environmental Science & Engineering, Tongji University, Shanghai 200092 (China); Wu, Deli, E-mail: wudeli@tongji.edu.cn [State Key Laboratory of Pollution Control and Resources Reuse, School of Environmental Science & Engineering, Tongji University, Shanghai 200092 (China); Zhao, Linghui [State Key Laboratory of Pollution Control and Resources Reuse, School of Environmental Science & Engineering, Tongji University, Shanghai 200092 (China); Luo, Cong [School of Civil and Environmental Engineering, Georgia Institute of Technology, GA 30332 (United States); Dai, Chaomeng; Zhang, Yalei [State Key Laboratory of Pollution Control and Resources Reuse, School of Environmental Science & Engineering, Tongji University, Shanghai 200092 (China)

    2016-05-15

    Highlights: • Structural Fe(II) was found to reveal high sequestration potential in various chelated copper. • Chelated copper was reduced to Cu(0) and Cu{sub 2}O by =Fe(II), whcih was oxidized to Fe{sub 2}O{sub 3}·H{sub 2}O. • Both electron transfer and surface =Fe(II) were found to be crucial during chelated copper reduction. • The indispensible role of reductive decomplexation was identified in chelated copper sequestration. - Abstract: Chelated coppers, such as Cu{sup II}-EDTA, are characteristically refractory and difficult to break down because of their high stability and solubility. Cu{sup II}–EDTA sequestration by structural Fe(II) (=Fe(II)) was investigated intensively in this study. Up to 101.21 mgCu(II)/gFe(II) was obtained by =Fe(II) in chelated copper sequestration under near neutral pH condition (pH 7.70). The mechanism of Cu{sup II}-EDTA sequestration by =Fe(II) was concluded as follows: 3Cu{sup II}–EDTA + 7=Fe(II) + 9H{sub 2}O → Cu(0) ↓ + Cu{sub 2}O ↓ (the major product) + 2Fe{sub 2}O{sub 3}·H{sub 2}O ↓ + 3Fe{sup II}–EDTA +14H{sup +} Novel results strongly indicate that Cu{sup II} reductive transformation induced by surface =Fe(II) was mainly responsible for chelated copper sequestration. Cu(0) generation was initially facilitated, and subsequent reduction of Cu(II) into Cu(I) was closely combined with the gradual increase of ORP (Oxidation-Reduction Potential). Cu-containing products were inherently stable, but Cu{sub 2}O would be reoxidized to Cu(II) with extra-aeration, resulting in the release of copper, which was beneficial to Cu reclamation. Concentration diminution of Cu{sup II}–EDTA within the electric double layer and competitive adsorption were responsible for the negative effects of Ca{sup 2+}, Mg{sup 2+}. By generating vivianite, PO{sub 4}{sup 3−} was found to decrease surface =Fe(II) content. This study is among the first ones to identify the indispensible role of reductive decomplexation in chelated copper

  9. Universal Scaling Relations in Scale-Free Structure Formation

    Science.gov (United States)

    Guszejnov, Dávid; Hopkins, Philip F.; Grudić, Michael Y.

    2018-04-01

    A large number of astronomical phenomena exhibit remarkably similar scaling relations. The most well-known of these is the mass distribution dN/dM∝M-2 which (to first order) describes stars, protostellar cores, clumps, giant molecular clouds, star clusters and even dark matter halos. In this paper we propose that this ubiquity is not a coincidence and that it is the generic result of scale-free structure formation where the different scales are uncorrelated. We show that all such systems produce a mass function proportional to M-2 and a column density distribution with a power law tail of dA/d lnΣ∝Σ-1. In the case where structure formation is controlled by gravity the two-point correlation becomes ξ2D∝R-1. Furthermore, structures formed by such processes (e.g. young star clusters, DM halos) tend to a ρ∝R-3 density profile. We compare these predictions with observations, analytical fragmentation cascade models, semi-analytical models of gravito-turbulent fragmentation and detailed "full physics" hydrodynamical simulations. We find that these power-laws are good first order descriptions in all cases.

  10. Improving the Factor Structure of Psychological Scales: The Expanded Format as an Alternative to the Likert Scale Format

    Science.gov (United States)

    Zhang, Xijuan; Savalei, Victoria

    2016-01-01

    Many psychological scales written in the Likert format include reverse worded (RW) items in order to control acquiescence bias. However, studies have shown that RW items often contaminate the factor structure of the scale by creating one or more method factors. The present study examines an alternative scale format, called the Expanded format,…

  11. Cosmological structure formation in Decaying Dark Matter models

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Dalong; Chu, M.-C.; Tang, Jiayu, E-mail: dlcheng@phy.cuhk.edu.hk, E-mail: mcchu@phy.cuhk.edu.hk, E-mail: jytang@phy.cuhk.edu.hk [Department of Physics and Institute of Theoretical Physics, The Chinese University of Hong Kong, Shatin, Hong Kong SAR (China)

    2015-07-01

    The standard cold dark matter (CDM) model predicts too many and too dense small structures. We consider an alternative model that the dark matter undergoes two-body decays with cosmological lifetime τ into only one type of massive daughters with non-relativistic recoil velocity V{sub k}. This decaying dark matter model (DDM) can suppress the structure formation below its free-streaming scale at time scale comparable to τ. Comparing with warm dark matter (WDM), DDM can better reduce the small structures while being consistent with high redshfit observations. We study the cosmological structure formation in DDM by performing self-consistent N-body simulations and point out that cosmological simulations are necessary to understand the DDM structures especially on non-linear scales. We propose empirical fitting functions for the DDM suppression of the mass function and the concentration-mass relation, which depend on the decay parameters lifetime τ, recoil velocity V{sub k} and redshift. The fitting functions lead to accurate reconstruction of the the non-linear power transfer function of DDM to CDM in the framework of halo model. Using these results, we set constraints on the DDM parameter space by demanding that DDM does not induce larger suppression than the Lyman-α constrained WDM models. We further generalize and constrain the DDM models to initial conditions with non-trivial mother fractions and show that the halo model predictions are still valid after considering a global decayed fraction. Finally, we point out that the DDM is unlikely to resolve the disagreement on cluster numbers between the Planck primary CMB prediction and the Sunyaev-Zeldovich (SZ) effect number count for τ ∼ H{sub 0}{sup −1}.

  12. Jupiter’s formation and its primordial internal structure

    OpenAIRE

    Lozovsky, Michael; Helled, Ravit; Rosenberg, Eric D; Bodenheimer, Peter

    2017-01-01

    The composition of Jupiter and the primordial distribution of the heavy elements are determined by its formation history. As a result, in order to constrain the primordial internal structure of Jupiter, the growth of the core and the deposition and settling of accreted planetesimals must be followed in detail. In this paper we determine the distribution of the heavy elements in proto-Jupiter and determine the mass and composition of the core. We find that while the outer envelope of proto-Jup...

  13. Structured assessment format for evaluating operative reports in general surgery.

    Science.gov (United States)

    Vergis, Ashley; Gillman, Lawrence; Minor, Samuel; Taylor, Mark; Park, Jason

    2008-01-01

    Despite its multifaceted importance, no validated or reliable tools assess the quality of the dictated operative note. This study determined the construct validity, interrater reliability, and internal consistency of a Structured Assessment Format for Evaluating Operative Reports (SAFE-OR) in general surgery. SAFE-OR was developed by using consensus criteria set forth by the Canadian Association of General Surgeons. This instrument includes a structured assessment and a global quality rating scale. Residents divided into novice and experienced groups viewed and dictated a videotaped laparoscopic sigmoid colectomy. Blinded, independent faculty evaluators graded the transcribed reports using SAFE-OR. Twenty-one residents participated in the study. Mean structured assessment scores (out of 44) were significantly lower for novice versus experienced residents (23.3 +/- 5.2 vs 34.1 +/- 6.0, t = .001). Mean global quality scores (out of 45) were similarly lower for novice residents (25.6 +/- 4.7 vs 35.9 +/- 7.6, t = .006). Interclass correlation coefficients were .98 (95% confidence interval, .96-.99) for structured assessment and .93 (95% confidence interval, .83-.97) for global quality scales. Cronbach alpha coefficients for internal consistency were .85 for structured assessment and .96 for global quality assessment scales. SAFE-OR shows significant construct validity, excellent interrater reliability, and high internal consistency. This tool will allow educators to objectively evaluate the quality of trainee operative reports and provide a mechanism for implementing, monitoring, and refining curriculum for dictation skills.

  14. Structure of the minor pseudopilin XcpW from the Pseudomonas aeruginosa type II secretion system

    Energy Technology Data Exchange (ETDEWEB)

    Franz, Laura P.; Douzi, Badreddine; Durand, Eric; Dyer, David H.; Voulhouxd, Romé; Forest, Katrina T. (CNRS-UMR); (CNRS-CRMD); (UW)

    2012-01-13

    Pseudomonas aeruginosa utilizes the type II secretion machinery to transport virulence factors through the outer membrane into the extracellular space. Five proteins in the type II secretion system share sequence homology with pilin subunits of type IV pili and are called the pseudopilins. The major pseudopilin X{sub cp}T{sub G} assembles into an intraperiplasmic pilus and is thought to act in a piston-like manner to push substrates through an outer membrane secretin. The other four minor pseudopilins, X{sub cp}U{sub H}, X{sub cp}V{sub I}, X{sub cp}W{sub J} and X{sub cp}X{sub K}, play less well defined roles in pseudopilus formation. It was recently discovered that these four minor pseudopilins form a quaternary complex that is presumed to initiate the formation of the pseudopilus and to localize to its tip. Here, the structure of X{sub cp}W{sub J} was refined to 1.85 {angstrom} resolution. The structure revealed the type IVa pilin fold with an embellished variable antiparallel {beta}-sheet as also found in the X{sub cp}W{sub J} homologue enterotoxigenic Escherichia coli G{sub sp}J{sub W} and the X{sub cp}U{sub H} homologue Vibrio cholerae E{sub ps}U{sub H}. It is proposed that the exposed surface of this sheet may cradle the long N-terminal 1 helix of another pseudopilin. The final 31 amino acids of the X{sub cp}W{sub J} structure are instrinsically disordered. Deletion of this unstructured region of X{sub cp}W{sub J} did not prevent type II secretion in vivo.

  15. Correlations between community structure and link formation in complex networks.

    Directory of Open Access Journals (Sweden)

    Zhen Liu

    Full Text Available BACKGROUND: Links in complex networks commonly represent specific ties between pairs of nodes, such as protein-protein interactions in biological networks or friendships in social networks. However, understanding the mechanism of link formation in complex networks is a long standing challenge for network analysis and data mining. METHODOLOGY/PRINCIPAL FINDINGS: Links in complex networks have a tendency to cluster locally and form so-called communities. This widely existed phenomenon reflects some underlying mechanism of link formation. To study the correlations between community structure and link formation, we present a general computational framework including a theory for network partitioning and link probability estimation. Our approach enables us to accurately identify missing links in partially observed networks in an efficient way. The links having high connection likelihoods in the communities reveal that links are formed preferentially to create cliques and accordingly promote the clustering level of the communities. The experimental results verify that such a mechanism can be well captured by our approach. CONCLUSIONS/SIGNIFICANCE: Our findings provide a new insight into understanding how links are created in the communities. The computational framework opens a wide range of possibilities to develop new approaches and applications, such as community detection and missing link prediction.

  16. Formation of periodic structures by surface treatments of polyamide fiber

    International Nuclear Information System (INIS)

    Yip, Joanne; Chan, Kwong; Sin, Kwan Moon; Lau, Kai Shui

    2006-01-01

    The processes of UV excimer laser irradiation (both high- and low-fluence) of polyamide fiber were systemically studied, including the surface temperature of the material during the treatment and possible mechanisms for the structure formation. The fluence applied in the high-fluence laser irradiation was above the ablation threshold of the material. The ablation of polymer can be described on the basis of photo-thermal bond breaking within the bulk material. The fluence applied in the low-fluence laser irradiation was far below the ablation threshold of the material. The development of low-fluence laser-induced structures is closely related to the absorption coefficient of the material, the laser fluence used, the polarization of the laser beam, the angle of incidence, and the number of laser pulses applied

  17. Influence of Hybrid Perovskite Fabrication Methods on Film Formation, Electronic Structure, and Solar Cell Performance

    Science.gov (United States)

    Schnier, Tobias; Emara, Jennifer; Olthof, Selina; Meerholz, Klaus

    2017-01-01

    Hybrid organic/inorganic halide perovskites have lately been a topic of great interest in the field of solar cell applications, with the potential to achieve device efficiencies exceeding other thin film device technologies. Yet, large variations in device efficiency and basic physical properties are reported. This is due to unintentional variations during film processing, which have not been sufficiently investigated so far. We therefore conducted an extensive study of the morphology and electronic structure of a large number of CH3NH3PbI3 perovskite where we show how the preparation method as well as the mixing ratio of educts methylammonium iodide and lead(II) iodide impact properties like film formation, crystal structure, density of states, energy levels, and ultimately the solar cell performance. PMID:28287555

  18. Tin( ii ) ketoacidoximates: synthesis, X-ray structures and processing to tin( ii ) oxide

    KAUST Repository

    Khanderi, Jayaprakash

    2015-10-21

    Tin(ii) ketoacidoximates of the type [HONCRCOO]Sn (R = Me 1, CHPh 2) and (MeONCMeCOO)Sn] NH·2HO 3 were synthesized by reacting pyruvate- and hydroxyl- or methoxylamine RONH (R = H, Me) with tin(ii) chloride dihydrate SnCl·2HO. The single crystal X-ray structure reveals that the geometry at the Sn atom is trigonal bipyramidal in 1, 2 and trigonal pyramidal in 3. Inter- or intramolecular hydrogen bonding is observed in 1-3. Thermogravimetric (TG) analysis shows that the decomposition of 1-3 to SnO occurs at ca. 160 °C. The evolved gas analysis during TG indicates complete loss of the oximato ligand in one step for 1 whereas a small organic residue is additionally removed at temperatures >400 °C for 2. Above 140 °C, [HONC(Me)COO]Sn (1) decomposes in air to spherical SnO particles of size 10-500 nm. Spin coating of 1 on Si or a glass substrate followed by heating at 200 °C results in a uniform film of SnO. The band gap of the produced SnO film and nanomaterial was determined by diffuse reflectance spectroscopy to be in the range of 3.0-3.3 eV. X-ray photoelectron spectroscopy indicates surface oxidation of the SnO film to SnO in ambient atmosphere.

  19. Crystal structure of dichloridobis(dimethyl N-cyanodithioiminocarbonatecobalt(II

    Directory of Open Access Journals (Sweden)

    Mouhamadou Birame Diop

    2016-01-01

    Full Text Available The structure of the mononuclear title complex, [{(H3CS2C=NC[triple-bond] N}2CoCl2], consists of a CoII atom coordinated in a distorted tetrahedral manner by two Cl− ligands and the terminal N atoms of two dimethyl N-cyanodithioiminocarbonate ligands. The two organic ligands are almost coplanar, with a dihedral angle of 5.99 (6° between their least-squares planes. The crystal packing features pairs of inversion-related complexes that are held together through C—H...Cl and C—H...S interactions and π–π stacking [centroid-to-centroid distance = 3.515 (su? Å]. Additional C—H...Cl and C—H...S interactions, as well as Cl...S contacts < 3.6 Å, consolidate the crystal packing.

  20. Formation and electronic structures of organoeuropium sandwich nanowires.

    Science.gov (United States)

    Hosoya, Natsuki; Takegami, Ryuta; Suzumura, Jun-ichi; Yada, Keizo; Miyajima, Ken; Mitsui, Masaaki; Knickelbein, Mark B; Yabushita, Satoshi; Nakajima, Atsushi

    2014-09-18

    Organoeuropium sandwich clusters, comprising europium (Eu) and 1,3,5,7-cyclooctatetraene (COT) (Eu(n)(COT)(m)), were produced in the gas phase using a laser vaporization synthesis method. Photoionization mass spectra revealed an exclusive Eu(n)(COT)(m) formation with three compositions: m = n + 1, m = n, and m = n - 1, which, we propose, correspond to full-sandwich, half-sandwich, and inverted-sandwich structures, respectively. The charge distributions, metal-ligand bonding characteristics, and electronic structures of the clusters were comprehensively investigated by photoionization measurements of Eu(n)(COT)(m) neutrals and by photoelectron spectroscopy of Eu(n)(COT)(m)(-) and isoelectronic Ba(n)(COT)(m)(-) anions. The results confirmed that (1) highly ionic metal-ligand bonding is formed between Eu(2+) and COT(2-) within the sandwich structure (at the termini, ionic forms are Eu(+) and COT(-)) and (2) size dependence of orbital energy can be explained by the Coulombic interaction of simple point charge models between the detaching electrons and dipoles/quadrupoles. When the terminus of the sandwich clusters is Eu(2+), COT(2-), or Eu(0), the orbital energy of the electron detachment channel at the opposite terminus strongly depends on the cluster size. In this case, the molecular stack behaves as a one-dimensionally aligned dipole; otherwise, it behaves as a quadrupole, and the relationship between cluster size and electron detachment energy is much weaker. The study also reports on the 4f orbital energy in Eu ions and the formation mechanism of organoeuropium sandwich nanowires up to 12 nm in length. The nanowires are formed by successive charge transfer at the terminal part, Eu(+) and COT(-), which reduces the ionization energy and increases the electron affinity, respectively.

  1. THE SECOND SURVEY OF THE MOLECULAR CLOUDS IN THE LARGE MAGELLANIC CLOUD BY NANTEN. II. STAR FORMATION

    International Nuclear Information System (INIS)

    Kawamura, Akiko; Mizuno, Yoji; Minamidani, Tetsuhiro; Mizuno, Norikazu; Onishi, Toshikazu; Fukui, Yasuo; Fillipovic, Miroslav D.; Staveley-Smith, Lister; Kim, Sungeun; Mizuno, Akira

    2009-01-01

    We studied star formation activities in the molecular clouds in the Large Magellanic Cloud. We have utilized the second catalog of 272 molecular clouds obtained by NANTEN to compare the cloud distribution with signatures of massive star formation including stellar clusters, and optical and radio H II regions. We find that the molecular clouds are classified into three types according to the activities of massive star formation: Type I shows no signature of massive star formation; Type II is associated with relatively small H II region(s); and Type III with both H II region(s) and young stellar cluster(s). The radio continuum sources were used to confirm that Type I giant molecular clouds (GMCs) do not host optically hidden H II regions. These signatures of massive star formation show a good spatial correlation with the molecular clouds in the sense that they are located within ∼100 pc of the molecular clouds. Among possible ideas to explain the GMC types, we favor that the types indicate an evolutionary sequence; i.e., the youngest phase is Type I, followed by Type II, and the last phase is Type III, where the most active star formation takes place leading to cloud dispersal. The number of the three types of GMCs should be proportional to the timescale of each evolutionary stage if a steady state of massive star and cluster formation is a good approximation. By adopting the timescale of the youngest stellar clusters, 10 Myr, we roughly estimate the timescales of Types I, II, and III to be 6 Myr, 13 Myr, and 7 Myr, respectively, corresponding to a lifetime of 20-30 Myr for the GMCs with a mass above the completeness limit, 5 x 10 4 M sun .

  2. Structural mechanisms of formation of adiabatic shear bands

    Directory of Open Access Journals (Sweden)

    Mikhail Sokovikov

    2016-10-01

    Full Text Available The paper focuses on the experimental and theoretical study of plastic deformation instability and localization in materials subjected to dynamic loading and high-velocity perforation. We investigate the behavior of samples dynamically loaded during Hopkinson-Kolsky pressure bar tests in a regime close to simple shear conditions. Experiments were carried out using samples of a special shape and appropriate test rigging, which allowed us to realize a plane strain state. Also, the shear-compression specimens proposed in were investigated. The lateral surface of the samples was investigated in a real-time mode with the aid of a high-speed infra-red camera CEDIP Silver 450M. The temperature field distribution obtained at different time made it possible to trace the evolution of plastic strain localization. Use of a transmission electron microscope for studying the surface of samples showed that in the regions of strain localization there are parts taking the shape of bands and honeycomb structure in the deformed layer. The process of target perforation involving plug formation and ejection was investigated using a high-speed infra-red camera. A specially designed ballistic set-up for studying perforation was used to test samples in different impulse loading regimes followed by plastic flow instability and plug ejection. Changes in the velocity of the rear surface at different time of plug ejection were analyzed by Doppler interferometry techniques. The microstructure of tested samples was analyzed using an optical interferometer-profilometer and a scanning electron microscope. The subsequent processing of 3D deformation relief data enabled estimation of the distribution of plastic strain gradients at different time of plug formation and ejection. It has been found that in strain localization areas the subgrains are elongated taking the shape of bands and undergo fragmentation leading to the formation of super-microcrystalline structure, in which the

  3. Structural characterization and antioxidant properties of Cu(II) and Ni(II) complexes derived from dicyandiamide

    Science.gov (United States)

    Kertmen, Seda Nur; Gonul, Ilyas; Kose, Muhammet

    2018-01-01

    New Cu(II) and Ni(II) complexes derived from dicyandiamide were synthesized and characterised by spectroscopic and analytical methods. Molecular structures of the complexes were determined by single crystal X-ray diffraction studies. In the complexes, the Cu(II) or Ni(II) ions are four-coordinate with a slight distorted square planar geometry. The ligands (L-nPen and L-iPen) derived from dicyandiamide formed via nucleophilic addition of alcohol solvent molecule in the presence Cu(II) or Ni(II) ions. Complexes were stabilised by intricate array of hydrogen bonding interactions. Antioxidant activity of the complexes was evaluated by DPPH radical scavenging and CUPRAC methods. The complexes exhibit antioxidant activity, however, their activities were much lower than standard antioxidants (Vitamin C and trolox).

  4. Hydration characteristics and structure formation of cement pastes containing metakaolin

    Directory of Open Access Journals (Sweden)

    Dvorkin Leonid

    2018-01-01

    crystalline structure with dominance of partially crystalized hydrosilicates and gel-like formations.

  5. Crystal structure of Mabinlin II: a novel structural type of sweet proteins and the main structural basis for its sweetness.

    Science.gov (United States)

    Li, De-Feng; Jiang, Peihua; Zhu, De-Yu; Hu, Yonglin; Max, Marianna; Wang, Da-Cheng

    2008-04-01

    The crystal structure of a sweet protein Mabinlin II (Mab II) isolated from the mature seeds of Capparis masaikai Levl. grown in Southern China has been determined at 1.7A resolution by the SIRAS method. The Mab II 3D structure features in an "all alpha" fold mode consisting of A- and B-chains crosslinked by four disulfide bridges, which is distinct from all known sweet protein structures. The Mabinlin II molecule shows an amphiphilic surface, a cationic face (Face A) and a neutral face (Face B). A unique structural motif consisting of B54-B64 was found in Face B, which adopts a special sequence, NL-P-NI-C-NI-P-NI, featuring four [Asn-Leu/Ile] units connected by three conformational-constrained residues, thus is called the [NL/I] tetralet motif. The experiments for testing the possible interactions of separated A-chain and B-chain and the native Mabinlin II to the sweet-taste receptor were performed through the calcium imaging experiments with the HEK293E cells coexpressed hT1R2/T1R3. The result shows that hT1R2/T1R3 responds to both the integrated Mabinlin II and the individual B-chain in the same scale, but not to A-chain. The sweetness evaluation further identified that the separated B-chain can elicit the sweetness alone, but A-chain does not. All data in combination revealed that the sweet protein Mabinlin II can interact with the sweet-taste receptor hT1R2/T1R3 to elicit its sweet taste, and the B-chain with a unique [NL/I] tetralet motif is the essential structural element for the interaction with sweet-taste receptor to elicit the sweetness, while the A-chain may play a role in gaining a long aftertaste for the integrate Mabinlin II. The findings reported in this paper will be advantage for understanding the diversity of sweet proteins and engineering research for development of a unique sweetener for the food and agriculture based on the Mabinlin II structure as a native model.

  6. Conformational Analysis of the DFG-Out Kinase Motif and Biochemical Profiling of Structurally Validated Type II Inhibitors

    Science.gov (United States)

    2015-01-01

    Structural coverage of the human kinome has been steadily increasing over time. The structures provide valuable insights into the molecular basis of kinase function and also provide a foundation for understanding the mechanisms of kinase inhibitors. There are a large number of kinase structures in the PDB for which the Asp and Phe of the DFG motif on the activation loop swap positions, resulting in the formation of a new allosteric pocket. We refer to these structures as “classical DFG-out” conformations in order to distinguish them from conformations that have also been referred to as DFG-out in the literature but that do not have a fully formed allosteric pocket. We have completed a structural analysis of almost 200 small molecule inhibitors bound to classical DFG-out conformations; we find that they are recognized by both type I and type II inhibitors. In contrast, we find that nonclassical DFG-out conformations strongly select against type II inhibitors because these structures have not formed a large enough allosteric pocket to accommodate this type of binding mode. In the course of this study we discovered that the number of structurally validated type II inhibitors that can be found in the PDB and that are also represented in publicly available biochemical profiling studies of kinase inhibitors is very small. We have obtained new profiling results for several additional structurally validated type II inhibitors identified through our conformational analysis. Although the available profiling data for type II inhibitors is still much smaller than for type I inhibitors, a comparison of the two data sets supports the conclusion that type II inhibitors are more selective than type I. We comment on the possible contribution of the DFG-in to DFG-out conformational reorganization to the selectivity. PMID:25478866

  7. Roles of calcium/calmodulin-dependent kinase II in long-term memory formation in crickets.

    Science.gov (United States)

    Mizunami, Makoto; Nemoto, Yuko; Terao, Kanta; Hamanaka, Yoshitaka; Matsumoto, Yukihisa

    2014-01-01

    Ca(2+)/calmodulin (CaM)-dependent protein kinase II (CaMKII) is a key molecule in many systems of learning and memory in vertebrates, but roles of CaMKII in invertebrates have not been characterized in detail. We have suggested that serial activation of NO/cGMP signaling, cyclic nucleotide-gated channel, Ca(2+)/CaM and cAMP signaling participates in long-term memory (LTM) formation in olfactory conditioning in crickets, and here we show participation of CaMKII in LTM formation and propose its site of action in the biochemical cascades. Crickets subjected to 3-trial conditioning to associate an odor with reward exhibited memory that lasts for a few days, which is characterized as protein synthesis-dependent LTM. In contrast, animals subjected to 1-trial conditioning exhibited memory that lasts for only several hours (mid-term memory, MTM). Injection of a CaMKII inhibitor prior to 3-trial conditioning impaired 1-day memory retention but not 1-hour memory retention, suggesting that CaMKII participates in LTM formation but not in MTM formation. Animals injected with a cGMP analogue, calcium ionophore or cAMP analogue prior to 1-trial conditioning exhibited 1-day retention, and co-injection of a CaMKII inhibitor impaired induction of LTM by the cGMP analogue or that by the calcium ionophore but not that by the cAMP analogue, suggesting that CaMKII is downstream of cGMP production and Ca(2+) influx and upstream of cAMP production in biochemical cascades for LTM formation. Animals injected with an adenylyl cyclase (AC) activator prior to 1-trial conditioning exhibited 1-day retention. Interestingly, a CaMKII inhibitor impaired LTM induction by the AC activator, although AC is expected to be a downstream target of CaMKII. The results suggest that CaMKII interacts with AC to facilitate cAMP production for LTM formation. We propose that CaMKII serves as a key molecule for interplay between Ca(2+) signaling and cAMP signaling for LTM formation, a new role of CaMKII in

  8. Roles of calcium/calmodulin-dependent kinase II in long-term memory formation in crickets.

    Directory of Open Access Journals (Sweden)

    Makoto Mizunami

    Full Text Available Ca(2+/calmodulin (CaM-dependent protein kinase II (CaMKII is a key molecule in many systems of learning and memory in vertebrates, but roles of CaMKII in invertebrates have not been characterized in detail. We have suggested that serial activation of NO/cGMP signaling, cyclic nucleotide-gated channel, Ca(2+/CaM and cAMP signaling participates in long-term memory (LTM formation in olfactory conditioning in crickets, and here we show participation of CaMKII in LTM formation and propose its site of action in the biochemical cascades. Crickets subjected to 3-trial conditioning to associate an odor with reward exhibited memory that lasts for a few days, which is characterized as protein synthesis-dependent LTM. In contrast, animals subjected to 1-trial conditioning exhibited memory that lasts for only several hours (mid-term memory, MTM. Injection of a CaMKII inhibitor prior to 3-trial conditioning impaired 1-day memory retention but not 1-hour memory retention, suggesting that CaMKII participates in LTM formation but not in MTM formation. Animals injected with a cGMP analogue, calcium ionophore or cAMP analogue prior to 1-trial conditioning exhibited 1-day retention, and co-injection of a CaMKII inhibitor impaired induction of LTM by the cGMP analogue or that by the calcium ionophore but not that by the cAMP analogue, suggesting that CaMKII is downstream of cGMP production and Ca(2+ influx and upstream of cAMP production in biochemical cascades for LTM formation. Animals injected with an adenylyl cyclase (AC activator prior to 1-trial conditioning exhibited 1-day retention. Interestingly, a CaMKII inhibitor impaired LTM induction by the AC activator, although AC is expected to be a downstream target of CaMKII. The results suggest that CaMKII interacts with AC to facilitate cAMP production for LTM formation. We propose that CaMKII serves as a key molecule for interplay between Ca(2+ signaling and cAMP signaling for LTM formation, a new role of Ca

  9. Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations

    Science.gov (United States)

    Ward, Logan; Liu, Ruoqian; Krishna, Amar; Hegde, Vinay I.; Agrawal, Ankit; Choudhary, Alok; Wolverton, Chris

    2017-07-01

    While high-throughput density functional theory (DFT) has become a prevalent tool for materials discovery, it is limited by the relatively large computational cost. In this paper, we explore using DFT data from high-throughput calculations to create faster, surrogate models with machine learning (ML) that can be used to guide new searches. Our method works by using decision tree models to map DFT-calculated formation enthalpies to a set of attributes consisting of two distinct types: (i) composition-dependent attributes of elemental properties (as have been used in previous ML models of DFT formation energies), combined with (ii) attributes derived from the Voronoi tessellation of the compound's crystal structure. The ML models created using this method have half the cross-validation error and similar training and evaluation speeds to models created with the Coulomb matrix and partial radial distribution function methods. For a dataset of 435 000 formation energies taken from the Open Quantum Materials Database (OQMD), our model achieves a mean absolute error of 80 meV/atom in cross validation, which is lower than the approximate error between DFT-computed and experimentally measured formation enthalpies and below 15% of the mean absolute deviation of the training set. We also demonstrate that our method can accurately estimate the formation energy of materials outside of the training set and be used to identify materials with especially large formation enthalpies. We propose that our models can be used to accelerate the discovery of new materials by identifying the most promising materials to study with DFT at little additional computational cost.

  10. Formation of RNA Beads from Various DNA Nanoring Structures.

    Science.gov (United States)

    Kim, Hyejin; Lee, Jong Bum

    2016-05-01

    By taking advantages of rolling circle transcription, one of the powerful methods to overcome the instability of RNA, we successfully synthesized RNA particles having high copy numbers of RNA strands. To examine dependence of RNA particle formation to template circular DNA strands, we synthesized RNA beads with 65-nt, 92-nt and 200-nt DNA nanoring structures as template circular DNA. Our conclusion is that characteristics of RNA beads could be controlled with various template circular DNA for RCT. It is feasible that our RNA beads could be used for RNAzyme-based metal sensors such as aqueous lead ion sensing. In this case, we expect that multi-metal ion detection would be possible by using 200-nt circular DNA bearing multiple desired functions as a template for RNA bead formation. Furthermore, certain features of RNA beads such as sensitivity to nuclease digestion and maximum loading amount of drugs when used as a carrier are expected to be further adjusted by choosing appropriate porosity and size.

  11. Structural modification in the formation of starch – silver nanocomposites

    International Nuclear Information System (INIS)

    Begum, S. N. Suraiya; Ramasamy, Radha Perumal; Aswal, V. K.

    2016-01-01

    Polymer based nanocomposites have gained wide applications in field of battery technology. Starch is a naturally occurring polysaccharide with sustainable properties such as biodegradable, non toxic, excellent film forming capacity and it also act as reducing agent for the metal nanoparticles. In our research various concentration of silver nitrate (AgNO 3 ) was added to the starch solution and films were obtained using solution casting method. Surface electron microscope (SEM) of the films shows modifications depending upon the concentration of AgNO 3 . Small angle neutron scattering (SANS) analysis showed that addition of silver nitrate modifies the starch to disc like structures and with increasing the AgNO 3 concentration leads to the formation of fractals. This research could benefit battery technology where solid polymer membranes using starch is used.

  12. Structural modification in the formation of starch – silver nanocomposites

    Energy Technology Data Exchange (ETDEWEB)

    Begum, S. N. Suraiya; Ramasamy, Radha Perumal, E-mail: perumal.ramasamy@gmail.com [Department of Applied Science and Technology, A.C.Tech. Campus, Anna University, Chennai – 600 025 (India); Aswal, V. K. [Solid State Physics Division, Bhabha Atomic Research Center, Trombay, Mumbai (India)

    2016-05-23

    Polymer based nanocomposites have gained wide applications in field of battery technology. Starch is a naturally occurring polysaccharide with sustainable properties such as biodegradable, non toxic, excellent film forming capacity and it also act as reducing agent for the metal nanoparticles. In our research various concentration of silver nitrate (AgNO{sub 3}) was added to the starch solution and films were obtained using solution casting method. Surface electron microscope (SEM) of the films shows modifications depending upon the concentration of AgNO{sub 3}. Small angle neutron scattering (SANS) analysis showed that addition of silver nitrate modifies the starch to disc like structures and with increasing the AgNO{sub 3} concentration leads to the formation of fractals. This research could benefit battery technology where solid polymer membranes using starch is used.

  13. Structural modification in the formation of starch - silver nanocomposites

    Science.gov (United States)

    Begum, S. N. Suraiya; Aswal, V. K.; Ramasamy, Radha Perumal

    2016-05-01

    Polymer based nanocomposites have gained wide applications in field of battery technology. Starch is a naturally occurring polysaccharide with sustainable properties such as biodegradable, non toxic, excellent film forming capacity and it also act as reducing agent for the metal nanoparticles. In our research various concentration of silver nitrate (AgNO3) was added to the starch solution and films were obtained using solution casting method. Surface electron microscope (SEM) of the films shows modifications depending upon the concentration of AgNO3. Small angle neutron scattering (SANS) analysis showed that addition of silver nitrate modifies the starch to disc like structures and with increasing the AgNO3 concentration leads to the formation of fractals. This research could benefit battery technology where solid polymer membranes using starch is used.

  14. Crystal structure and encapsulation dynamics of ice II-structured neon hydrate

    Science.gov (United States)

    Yu, Xiaohui; Zhu, Jinlong; Du, Shiyu; Xu, Hongwu; Vogel, Sven C.; Han, Jiantao; Germann, Timothy C.; Zhang, Jianzhong; Jin, Changqing; Francisco, Joseph S.; Zhao, Yusheng

    2014-01-01

    Neon hydrate was synthesized and studied by in situ neutron diffraction at 480 MPa and temperatures ranging from 260 to 70 K. For the first time to our knowledge, we demonstrate that neon atoms can be enclathrated in water molecules to form ice II-structured hydrates. The guest Ne atoms occupy the centers of D2O channels and have substantial freedom of movement owing to the lack of direct bonding between guest molecules and host lattices. Molecular dynamics simulation confirms that the resolved structure where Ne dissolved in ice II is thermodynamically stable at 480 MPa and 260 K. The density distributions indicate that the vibration of Ne atoms is mainly in planes perpendicular to D2O channels, whereas their distributions along the channels are further constrained by interactions between adjacent Ne atoms. PMID:25002464

  15. Impairment of osteophyte formation in hyperglycemic patients with type II diabetes mellitus and knee osteoarthritis.

    Science.gov (United States)

    Horn, C A; Bradley, J D; Brandt, K D; Kreipke, D L; Slowman, S D; Kalasinski, L A

    1992-03-01

    Since insulin is a potent growth factor for connective tissue, the present study was designed to investigate whether radiographic features of knee osteoarthritis (OA) in patients with poorly controlled, insulin-resistant type II diabetes mellitus differ from those in nondiabetic controls with knee OA. Radiographs from 25 female patients with diabetes and knee OA were compared with those from 48 female controls who were similar with respect to age, weight, and duration of OA symptoms. Although the 2 groups were similar with respect to the frequency and severity of joint space narrowing, subchondral sclerosis, and geodes, osteophytes were less common in the patients with diabetes (P = 0.044), and spurring, when present, tended to be "marked" less often in the diabetic patients than in the controls. The data suggest that diminished availability of insulin at the cellular level or diabetic microvascular disease attenuates the chondro- and osteogenesis required for osteophyte formation in the joints of patients with OA.

  16. Dimeric and different polymeric copper(II) salicylates - Crystal structure and spectral properties

    Science.gov (United States)

    Puchoňová, Miroslava; Mazúr, Milan; Moncol, Ján; Růžičková, Zdeňka; Valigura, Dušan

    2017-06-01

    The small differences in synthesis condition led to formation of four new copper(II) salicylatocomplexes - two differently polymeric [Cu(4-MeOSal)2(μ-H2O)2]n1, [Cu(μ-3,5-Br2Sal)2(H2O)2]n2 and two dimeric [Cu(5-MeSal)2(MeOH)]2ṡ2MeOH 3 [Cu(4-MeSal)2(EtOH)2]24 compounds, where 4-MeOSal = 4-methoxysalicylate, 3,5-Br2Sal = 3, 5-dibromsalicylate, 5-MeSal = 5-methylsalicylate, and 4-MeSal = 4-methoxysalicylate monoanion. Complexes were characterized by elemental analysis, UV-Vis, infrared, EPR spectra and single crystal X-ray analysis. Spectral properties are in good agreement with structural information. Intermolecular interactions are responsible for building supramolecular structure. The complexes 1 and 2 build up 2D supramolecular structures by the O-H⋯O hydrogen bonds formation while the complexes 3 and 4 are forming 1D supramolecular chain of paddle wheel units and coordinated solvent molecules.

  17. Anisotropic formation and distribution of stacking faults in II-VI semiconductor nanorods.

    Science.gov (United States)

    Hughes, Steven M; Alivisatos, A Paul

    2013-01-09

    Nanocrystals of cadmium selenide exhibit a form of polytypism with stable forms in both the wurtzite and zinc blende crystal structures. As a result, wurtzite nanorods of cadmium selenide tend to form stacking faults of zinc blende along the c-axis. These faults were found to preferentially form during the growth of the (001) face, which accounts for 40% of the rod's total length. Since II-VI semiconductor nanorods lack inversion symmetry along the c-axis of the particle, the two ends of the nanorod may be identified by this anisotropic distribution of faults.

  18. STAT3 regulates ABCA3 expression and influences lamellar body formation in alveolar type II cells.

    Science.gov (United States)

    Matsuzaki, Yohei; Besnard, Valérie; Clark, Jean C; Xu, Yan; Wert, Susan E; Ikegami, Machiko; Whitsett, Jeffrey A

    2008-05-01

    ATP-Binding Cassette A3 (ABCA3) is a lamellar body associated lipid transport protein required for normal synthesis and storage of pulmonary surfactant in type II cells in the alveoli. In this study, we demonstrate that STAT3, activated by IL-6, regulates ABCA3 expression in vivo and in vitro. ABCA3 mRNA and immunostaining were decreased in adult mouse lungs in which STAT3 was deleted from the respiratory epithelium (Stat3(Delta/Delta) mice). Consistent with the role of STAT3, intratracheal IL-6 induced ABCA3 expression in vivo. Decreased ABCA3 and abnormalities in the formation of lamellar bodies, the intracellular site of surfactant lipid storage, were observed in Stat3(Delta/Delta) mice. Expression of SREBP1a and 1c, SCAP, ABCA3, and AKT mRNAs was inhibited by deletion of Stat3 in type II cells isolated from Stat3(Delta/Delta) mice. The activities of PI3K and AKT were required for normal Abca3 gene expression in vitro. AKT activation induced SREBP expression and increased the activity of the Abca3 promoter in vitro, consistent with the role of STAT3 signaling, at least in part via SREBP, in the regulation of ABCA3. ABCA3 expression is regulated by IL-6 in a pathway that includes STAT3, PI3K, AKT, SCAP, and SREBP. Activation of STAT3 after exposure to IL-6 enhances ABCA3 expression, which, in turn, influences pulmonary surfactant homeostasis.

  19. Jupiter’s Formation and Its Primordial Internal Structure

    Science.gov (United States)

    Lozovsky, Michael; Helled, Ravit; Rosenberg, Eric D.; Bodenheimer, Peter

    2017-02-01

    The composition of Jupiter and the primordial distribution of the heavy elements are determined by its formation history. As a result, in order to constrain the primordial internal structure of Jupiter, the growth of the core and the deposition and settling of accreted planetesimals must be followed in detail. In this paper we determine the distribution of the heavy elements in proto-Jupiter and determine the mass and composition of the core. We find that while the outer envelope of proto-Jupiter is typically convective and has a homogeneous composition, the innermost regions have compositional gradients. In addition, the existence of heavy elements in the envelope leads to much higher internal temperatures (several times 104 K) than in the case of a hydrogen-helium envelope. The derived core mass depends on the actual definition of the core: if the core is defined as the region in which the heavy-element mass fraction is above some limit (say, 0.5), then it can be much more massive (˜15 {M}\\oplus ) and more extended (10% of the planet’s radius) than in the case where the core is just the region with 100% heavy elements. In the former case Jupiter’s core also consists of hydrogen and helium. Our results should be taken into account when constructing internal structure models of Jupiter and when interpreting the upcoming data from the Juno (NASA) mission.

  20. Pseudomonas aeruginosa Exhibits Deficient Biofilm Formation in the Absence of Class II and III Ribonucleotide Reductases Due to Hindered Anaerobic Growth.

    Science.gov (United States)

    Crespo, Anna; Pedraz, Lucas; Astola, Josep; Torrents, Eduard

    2016-01-01

    Chronic lung infections by the ubiquitous and extremely adaptable opportunistic pathogen Pseudomonas aeruginosa correlate with the formation of a biofilm, where bacteria grow in association with an extracellular matrix and display a wide range of changes in gene expression and metabolism. This leads to increased resistance to physical stress and antibiotic therapies, while enhancing cell-to-cell communication. Oxygen diffusion through the complex biofilm structure generates an oxygen concentration gradient, leading to the appearance of anaerobic microenvironments. Ribonucleotide reductases (RNRs) are a family of highly sophisticated enzymes responsible for the synthesis of the deoxyribonucleotides, and they constitute the only de novo pathway for the formation of the building blocks needed for DNA synthesis and repair. P. aeruginosa is one of the few bacteria encoding all three known RNR classes (Ia, II, and III). Class Ia RNRs are oxygen dependent, class II are oxygen independent, and class III are oxygen sensitive. A tight control of RNR activity is essential for anaerobic growth and therefore for biofilm development. In this work we explored the role of the different RNR classes in biofilm formation under aerobic and anaerobic initial conditions and using static and continuous-flow biofilm models. We demonstrated the importance of class II and III RNR for proper cell division in biofilm development and maturation. We also determined that these classes are transcriptionally induced during biofilm formation and under anaerobic conditions. The molecular mechanism of their anaerobic regulation was also studied, finding that the Anr/Dnr system is responsible for class II RNR induction. These data can be integrated with previous knowledge about biofilms in a model where these structures are understood as a set of layers determined by oxygen concentration and contain cells with different RNR expression profiles, bringing us a step closer to the understanding of this

  1. Structural diversity of three Cu(II) compounds based on a new tripodal zwitterionic ligand: Syntheses, structures and properties

    Science.gov (United States)

    Zhou, Jie; Zhao, Jing-Song; Feng, Jing; Zhang, Xiao-Feng; Xu, Jian; Du, Lin; Xie, Ming-Jin; Zhao, Qi-Hua

    2018-03-01

    An exploration of reactions of 1,1‧,1″-(benzene-1,3,5-triyltris(methylene))tris(4-carboxypyridinium)-tribromide (H3LBr3) with Cu(II) salt under different pH conditions has led to the formation of three complexes, [Cu(HL)2(H2O)3]·4(ClO4)·3H2O (1), [Cu2(HL)(μ3-OH)(μ2-H2O)(H2O)2]·4(ClO4)·6H2O (2), and [Cu3(L)2Cl6(H2O)4]·4H2O (3). Single-crystal X-ray analyses revealed that complex 1 displays a discrete mononuclear structure with the ligand in a bowl-shaped configuration. Complex 2 possesses a tetranuclear 1D beaded chain structure. While complex 3 features a discrete trinuclear 'H-type' structure with the ligand in a chair-like configuration. The distinct compositions and structures of 1-3 are mainly ascribed to the different pH values of the reaction solution, the influences of anions, as well as the configurations which the zwitterion ligands adopt. The magnetic properties of 2, and the photoluminescence properties of 2, and 3 have been investigated. Moreover, powder X-ray diffraction, infrared spectroscopy, and elemental analysis were also performed.

  2. Four Zn(II)/Cd(II)-3-amino-1,2,4-triazolate frameworks constructed by in situ metal/ligand reactions: Structures and fluorescent properties

    International Nuclear Information System (INIS)

    Chen Zilu; Li Xiaoling; Liang Fupei

    2008-01-01

    Four Cd(II) and Zn(II) complexes with the in situ-generated ligand of 3-amino-1,2,4-triazolate (AmTAZ - ) were isolated from the solvothermal reactions of the corresponding Cd(II) or Zn(II) salts with 5-amino-1H-1,2,4-triazole-3-carboxylic acid (AmTAZAc). Their structures were determined by single-crystal X-ray diffraction analysis. [Zn(AmTAZ)(CH 3 COO)] (1) presents a two-dimensional framework constructed from Zn(II) ions and μ 3 -AmTAZ - ligands. A remarkable feature of [Zn 4 (AmTAZ) 4 (SO 4 )(OH)(C 2 O 4 ) 0.5 ].2H 2 O (2) is the construction of the building units of octagonal cylinders which interact with each other by sharing one face or overlapping, resulting in the formation of a three-dimensional framework with three kinds of 1D channels. [Cd(AmTAZ)Br] (3) crystallizes in a chiral space group P2 1 2 1 2 1 , giving a homochiral three-dimensional framework with two types of helical channels (left- and right-handed). Different from the others, the 3-amino-1,2,4-triazole molecules in [Cd(AmTAZH)SO 4 ] (4) behave as neutral μ 2 -2,4-bridges to connect the two-dimensional CdSO 4 sheets into a three-dimensional framework. Of all, 2 and 3 display different fluorescent properties probably due to different metal ions, coordination environments and structural topologies. - Graphical abstract: The solvothermal reactions of Cd(II) and Zn(II) salts bearing different anions with 5-amino-1H-1,2,4-triazole-3-carboxylic acid (AmTAZAc) produced four Cd(II) and Zn(II) MOFs with the in situ-generated 3-amino-1,2,4-triazolate (AmTAZ - ) ion as ligand, which display different structural topologies and fluorescent properties. Display Omitted

  3. General principles for the formation of dust self-organizing structures. Dust collective attraction and plasma crystal formation

    International Nuclear Information System (INIS)

    Tsytovich, V.N.

    2005-01-01

    It is demonstrated that a homogeneous dusty plasma is universally unstable to form structures. The effect of collective grain attraction is a basic phenomenon for the proposed new paradigm (general principles) for the plasma crystal formation

  4. FORMATION CONSTANTS AND THERMODYNAMIC ...

    African Journals Online (AJOL)

    , Ni(II), Cu(II) and Zn(II) ions has been ... A good deal of work has been reported on the preparation and structural investigation of. Schiff base ... Formation constants and thermodynamic parameters of Co, Ni, Cu and Zn complexes. Bull. Chem.

  5. The Effects of Subsurface Bioremediation on Soil Structure, Colloid Formation, and Contaminant Transport

    Science.gov (United States)

    Wang, Y.; Liang, X.; Zhuang, J.; Radosevich, M.

    2016-12-01

    Anaerobic bioremediation is widely applied to create anaerobic subsurface conditions designed to stimulate microorganisms that degrade organic contaminants and immobilize toxic metals in situ. Anaerobic conditions that accompany such techniques also promotes microbially mediated Fe(III)-oxide mineral reduction. The reduction of Fe(III) could potentially cause soil structure breakdown, formation of clay colloids, and alternation of soil surface chemical properties. These processes could then affect bioremediation and the migration of contaminants. Column experiments were conducted to investigate the impact of anaerobic bioreduction on soil structure, hydraulic properties, colloid formation, and transport of three tracers (bromide, DFBA, and silica shelled silver nanoparticles). Columns packed with inoculated water stable soil aggregates were placed in anaerobic glovebox, and artificial groundwater media was pumped into the columns to simulate anaerobic bioreduction process for four weeks. Decent amount of soluble Fe(II) accompanied by colloids were detected in the effluent from bioreduction columns a week after initiation of bioreduction treatment, which demonstrated bioreduction of Fe(III) and formation of colloids. Transport experiments were performed in the columns before and after bioreduction process to assess the changes of hydraulic and surface chemical properties through bioreduction treatment. Earlier breakthrough of bromide and DFBA after treatment indicated alterations in flow paths (formation of preferential flow paths). Less dispersion of bromide and DFBA, and less tailing of DFBA after treatment implied breakdown of soil aggregates. Dramatically enhanced transport and early breakthrough of silica shelled silver nanoparticles after treatment supported the above conclusion of alterations in flow paths, and indicated changes of soil surface chemical properties.

  6. Palladium(II)-Stabilized Pyridine-2-Diazotates: Synthesis, Structural Characterization, and Cytotoxicity Studies.

    Science.gov (United States)

    Tskhovrebov, Alexander G; Vasileva, Anna A; Goddard, Richard; Riedel, Tina; Dyson, Paul J; Mikhaylov, Vladimir N; Serebryanskaya, Tatiyana V; Sorokoumov, Viktor N; Haukka, Matti

    2018-02-05

    Well-defined diazotates are scarce. Here we report the synthesis of unprecedented homoleptic palladium(II) diazotate complexes. The palladium(II)-mediated nitrosylation of 2-aminopyridines with NaNO 2 results in the formation of metal-stabilized diazotates, which were found to be cytotoxic to human ovarian cancer cells.

  7. Structural and functional insight into TAF1-TAF7, a subcomplex of transcription factor II D

    Energy Technology Data Exchange (ETDEWEB)

    Bhattacharya, Suparna; Lou, Xiaohua; Hwang, Peter; Rajashankar, Kanagalaghatta R.; Wang, Xiaoping; Gustafsson, Jan-Åke; Fletterick, Robert J.; Jacobson, Raymond H.; Webb, Paul [MDACC; (HMRI); (Cornell); (UCSF); (Houston)

    2014-07-01

    Transcription factor II D (TFIID) is a multiprotein complex that nucleates formation of the basal transcription machinery. TATA binding protein-associated factors 1 and 7 (TAF1 and TAF7), two subunits of TFIID, are integral to the regulation of eukaryotic transcription initiation and play key roles in preinitiation complex (PIC) assembly. Current models suggest that TAF7 acts as a dissociable inhibitor of TAF1 histone acetyltransferase activity and that this event ensures appropriate assembly of the RNA polymerase II-mediated PIC before transcriptional initiation. Here, we report the 3D structure of a complex of yeast TAF1 with TAF7 at 2.9 Å resolution. The structure displays novel architecture and is characterized by a large predominantly hydrophobic heterodimer interface and extensive cofolding of TAF subunits. There are no obvious similarities between TAF1 and known histone acetyltransferases. Instead, the surface of the TAF1–TAF7 complex contains two prominent conserved surface pockets, one of which binds selectively to an inhibitory trimethylated histone H3 mark on Lys27 in a manner that is also regulated by phosphorylation at the neighboring H3 serine. Our findings could point toward novel roles for the TAF1–TAF7 complex in regulation of PIC assembly via reading epigenetic histone marks.

  8. Triggered star formation around mid-infrared bubbles in G8.14+0.23 H II region

    OpenAIRE

    Dewangan, L. K.; Ojha, D. K.; Anandarao, B. G.; Ghosh, S. K.; Chakraborti, S.

    2012-01-01

    Mid-infrared (MIR) shells or bubbles around expanding H II regions have received much attention due to their ability to initiate a new generation of star formation. We present multi-wavelength observations around two bubbles associated with a southern massive star-forming (MSF) region G8.14+0.23, to investigate the triggered star formation signature on the edges of the bubbles by the expansion of the H II region. We have found observational signatures of the collected molecular and cold dust ...

  9. Structure of diphosphine complexes of Co(II) in solutions of organic compounds

    International Nuclear Information System (INIS)

    Saraev, V.V.; Mandyuk, I.M.; Ratovskii, G.V.; Dmitrieva, T.V.; Shmidt, F.K.

    1987-01-01

    The structure of the dichloride complexes of cobalt(II) with 1,2-bis(diphenylphosphino)ethane (DPPE) and 1,1-bis(diphenylphosphino)methane (DPPM) in organic solvents has been investigated by ESR and electronic spectroscopy. It has been shown that the low-spin complex Co(DPPE) 2 Cl 2 exists in dichloroethane and ethanol solutions in the form of a trigonal bipyramid. Cobalt dichloride reacts with DPPM to form 1:1 and 1:2 complexes, between which there is an equilibrium in a dichloroethane solution. The equilibrium is displaced under the action of the free diphosphine toward the formation of the 1:2 complex. Elimination of the diphosphine from the coordination sphere of cobalt occurs in an ethanol solution

  10. Structural and bioinformatic characterization of an Acinetobacter baumannii type II carrier protein

    International Nuclear Information System (INIS)

    Allen, C. Leigh; Gulick, Andrew M.

    2014-01-01

    The high-resolution crystal structure of a free-standing carrier protein from Acinetobacter baumannii that belongs to a larger NRPS-containing operon, encoded by the ABBFA-003406–ABBFA-003399 genes of A. baumannii strain AB307-0294, that has been implicated in A. baumannii motility, quorum sensing and biofilm formation, is presented. Microorganisms produce a variety of natural products via secondary metabolic biosynthetic pathways. Two of these types of synthetic systems, the nonribosomal peptide synthetases (NRPSs) and polyketide synthases (PKSs), use large modular enzymes containing multiple catalytic domains in a single protein. These multidomain enzymes use an integrated carrier protein domain to transport the growing, covalently bound natural product to the neighboring catalytic domains for each step in the synthesis. Interestingly, some PKS and NRPS clusters contain free-standing domains that interact intermolecularly with other proteins. Being expressed outside the architecture of a multi-domain protein, these so-called type II proteins present challenges to understand the precise role they play. Additional structures of individual and multi-domain components of the NRPS enzymes will therefore provide a better understanding of the features that govern the domain interactions in these interesting enzyme systems. The high-resolution crystal structure of a free-standing carrier protein from Acinetobacter baumannii that belongs to a larger NRPS-containing operon, encoded by the ABBFA-003406–ABBFA-003399 genes of A. baumannii strain AB307-0294, that has been implicated in A. baumannii motility, quorum sensing and biofilm formation, is presented here. Comparison with the closest structural homologs of other carrier proteins identifies the requirements for a conserved glycine residue and additional important sequence and structural requirements within the regions that interact with partner proteins

  11. Structural and bioinformatic characterization of an Acinetobacter baumannii type II carrier protein

    Energy Technology Data Exchange (ETDEWEB)

    Allen, C. Leigh; Gulick, Andrew M., E-mail: gulick@hwi.buffalo.edu [University at Buffalo, Buffalo, NY 14203 (United States)

    2014-06-01

    The high-resolution crystal structure of a free-standing carrier protein from Acinetobacter baumannii that belongs to a larger NRPS-containing operon, encoded by the ABBFA-003406–ABBFA-003399 genes of A. baumannii strain AB307-0294, that has been implicated in A. baumannii motility, quorum sensing and biofilm formation, is presented. Microorganisms produce a variety of natural products via secondary metabolic biosynthetic pathways. Two of these types of synthetic systems, the nonribosomal peptide synthetases (NRPSs) and polyketide synthases (PKSs), use large modular enzymes containing multiple catalytic domains in a single protein. These multidomain enzymes use an integrated carrier protein domain to transport the growing, covalently bound natural product to the neighboring catalytic domains for each step in the synthesis. Interestingly, some PKS and NRPS clusters contain free-standing domains that interact intermolecularly with other proteins. Being expressed outside the architecture of a multi-domain protein, these so-called type II proteins present challenges to understand the precise role they play. Additional structures of individual and multi-domain components of the NRPS enzymes will therefore provide a better understanding of the features that govern the domain interactions in these interesting enzyme systems. The high-resolution crystal structure of a free-standing carrier protein from Acinetobacter baumannii that belongs to a larger NRPS-containing operon, encoded by the ABBFA-003406–ABBFA-003399 genes of A. baumannii strain AB307-0294, that has been implicated in A. baumannii motility, quorum sensing and biofilm formation, is presented here. Comparison with the closest structural homologs of other carrier proteins identifies the requirements for a conserved glycine residue and additional important sequence and structural requirements within the regions that interact with partner proteins.

  12. Structured star formation in the Magellanic inter-Cloud region

    Science.gov (United States)

    Mackey, A. D.; Koposov, S. E.; Da Costa, G. S.; Belokurov, V.; Erkal, D.; Fraternali, F.; McClure-Griffiths, N. M.; Fraser, M.

    2017-12-01

    We use a new contiguous imaging survey conducted using the Dark Energy Camera to investigate the distribution and properties of young stellar populations in the Magellanic inter-Cloud region. These young stars are strongly spatially clustered, forming a narrow chain of low-mass associations that trace the densest H I gas in the Magellanic Bridge and extend, in projection, from the SMC to the outer disc of the LMC. The associations in our survey footprint have ages ≲ 30 Myr, masses in the range ∼100-1200 M⊙ and very diffuse structures with half-light radii of up to ∼100 pc. The two most populous are strongly elliptical and aligned to ≈10°, with the axis joining the centres of the LMC and the SMC. These observations strongly suggest that the young inter-Cloud populations formed in situ, likely due to the compression of gas stripped during the most recent close LMC-SMC encounter. The associations lie at distances intermediate between the two Clouds, and we find no evidence for a substantial distance gradient across the imaged area. Finally, we identify a vast shell of young stars surrounding a central association, that is spatially coincident with a low column density bubble in the H I distribution. The properties of this structure are consistent with a scenario where stellar winds and supernova explosions from massive stars in the central cluster swept up the ambient gas into a shell, triggering a new burst of star formation. This is a prime location for studying stellar feedback in a relatively isolated environment.

  13. Mechanisms of bands and spirals formation during the drying of watery solutions of mercury (II) chloride with agar-agar

    Energy Technology Data Exchange (ETDEWEB)

    Suarez-DomInguez, Edgardo Jonathan; Betancourt-Mar, Juvencio Alberto [Laboratorio de Investigacion UNE-SAS, Universidad del Noreste, Prol. Av. Hidalgo 6315 Col. Nuevo Aeropuerto, Tampico, Tam., Mexico, C.P. 89337 (Mexico)

    2005-01-01

    It is proposed two mechanisms to explain the formation of periodic and non periodic bands and spirals as thin films of gelatinous aqueous solutions of mercury (II) chloride are dried. The first mechanism supposes an homogeneous drying, where the height of the film decreases at constant rate, forming Liesegang bands. The second mechanism implies a non homogeneous drying where an evaporation front drives the formation of periodic bands and spirals.

  14. Using Black Hole Mergers to Explore Structure Formation

    Science.gov (United States)

    Alicea-Munoz, E.; Miller, M. Coleman

    2009-01-01

    Observations of gravitational waves from massive black hole mergers will open a new window into the era of structure formation in the early universe. Past efforts have concentrated on calculating merger rates using different physical assumptions, resulting in merger rate estimates that span a wide range (0.1 - 10(exp 4) mergers/year). We develop a semi-analytical, phenomenological model of massive black hole mergers that includes plausible combinations of several physical parameters, which we then turn around to determine how well observations with the Laser Interferometer Space Antenna (LISA) will be able to enhance our understanding of the universe during the critical z approximately equal to 5-30 epoch. Our approach involves generating synthetic LISA observable data (total BH masses, BH mass ratios, redshifts, merger rates), which are then analyzed using a Markov Chain Monte Carlo method, thus finding constraints for the physical parameters of the mergers. We find that our method works well at estimating merger parameters and that the number of merger events is a key discriminant among models, therefore making our method robust against observational uncertainties. Our approach can also be extended to more physically-driven models and more general problems in cosmology. This work is supported in part by the Cooperative Education Program at NASA/GSFC.

  15. Structure Formation in Semi-Dilute Polymer Solution during Electrospinning

    Science.gov (United States)

    Zussman, Eyal; Paley, Yakov; Arinstein, Arkadii; Shuster, Kim

    2012-02-01

    In our recent work it was shown that longitudinal stretching of electrospun highly entangled semi-dilute polymer solution caused by jet hydrodynamic forces, transforms the topological network to an almost fully-stretched state within less than 1 mm from the jet start (PRE, 2011). Further evolution of the polymer network is related to a disentanglement of polymer chains and transformation of the topological network structure. As was sown by Malkin et al., (Rheol. Acta, 2011) high deformation rate of a topological polymer network, results in reptations of macromolecules caused by uncompensated local forces, whereas Brownian motion effect is negligible. Based on this conclusion, we examine the disentanglement process, using a mechanical pulley-block system assembled from multiple pulleys suspended by elastic springs, and taut string connecting two blocks. Each pulley corresponds to a topological knot; the taut string corresponds to a reptated chain; the springs correspond to surrounded polymer chains; and the blocks correspond to local deformation force. It turned out that the system is sensitive to system parameters. The pulleys can approach each other and the string stops to move. Such a behavior corresponds to formation of bundle of knots of entangled chains. In other conditions, the string continuously moves while the pulleys did not approach each other which corresponds to disentanglement of polymer chains. These experiments clarify the disentanglement kinetics in rapid-deformed polymer system.

  16. Comparing fully general relativistic and Newtonian calculations of structure formation

    Science.gov (United States)

    East, William E.; Wojtak, Radosław; Abel, Tom

    2018-02-01

    In the standard approach to studying cosmological structure formation, the overall expansion of the Universe is assumed to be homogeneous, with the gravitational effect of inhomogeneities encoded entirely in a Newtonian potential. A topic of ongoing debate is to what degree this fully captures the dynamics dictated by general relativity, especially in the era of precision cosmology. To quantitatively assess this, we directly compare standard N-body Newtonian calculations to full numerical solutions of the Einstein equations, for cold matter with various magnitude initial inhomogeneities on scales comparable to the Hubble horizon. We analyze the differences in the evolution of density, luminosity distance, and other quantities defined with respect to fiducial observers. This is carried out by reconstructing the effective spacetime and matter fields dictated by the Newtonian quantities, and by taking care to distinguish effects of numerical resolution. We find that the fully general relativistic and Newtonian calculations show excellent agreement, even well into the nonlinear regime. They only notably differ in regions where the weak gravity assumption breaks down, which arise when considering extreme cases with perturbations exceeding standard values.

  17. Formation of hydrogen bonds precedes the rate-limiting formation of persistent structure in the folding of ACBP

    DEFF Research Database (Denmark)

    Teilum, K; Kragelund, B B; Knudsen, J

    2000-01-01

    of eight conserved hydrophobic residues at the interface between the two N and C-terminal helices. Previous mutation studies have shown that the formation of this structure is rate limiting for the final folding of ACBP. The burst phase structures observed in ACBP are different from the previously reported...

  18. Crystal structures of complexes of NAD+-dependent formate dehydrogenase from methylotrophic bacterium Pseudomonas sp. 101 with formate

    International Nuclear Information System (INIS)

    Filippova, E. V.; Polyakov, K. M.; Tikhonova, T. V.; Stekhanova, T. N.; Boiko, K. M.; Sadykhov, I. G.; Tishkov, V. I.; Popov, V. O.; Labru, N.

    2006-01-01

    Formate dehydrogenase (FDH) from the methylotrophic bacterium Pseudomonas sp. 101 catalyzes oxidation of formate to NI 2 with the coupled reduction of nicotinamide adenine dinucleotide (NAD + ). The three-dimensional structures of the apo form (the free enzyme) and the holo form (the ternary FDH-NAD + -azide complex) of FDH have been established earlier. In the present study, the structures of FDH complexes with formate are solved at 2.19 and 2.28 A resolution by the molecular replacement method and refined to the R factors of 22.3 and 20.5%, respectively. Both crystal structures contain four protein molecules per asymmetric unit. These molecules form two dimers identical to the dimer of the apo form of FDH. Two possible formatebinding sites are found in the active site of the FDH structure. In the complexes the sulfur atom of residue Cys354 exists in the oxidized state

  19. Copper(II), cobalt(II) and nickel(II) complexes of juglone: synthesis, structure, DNA interaction and enhanced cytotoxicity.

    Science.gov (United States)

    Tabrizi, Leila; Fooladivanda, Mahrokh; Chiniforoshan, Hossein

    2016-12-01

    Three novel copper(II), cobalt(II), and nickel(II) complexes of juglone (Jug) containing 1,10-phenanthroline (phen) ligand, [M(Jug) 2 (phen)] (M = Cu(II), 1, Co(II), 2, and Ni(II), 3), have been synthesized and characterized using, elemental analysis and spectroscopic studies. Their interactions with calf thymus DNA were investigated using viscosity measurements, UV-visible and fluorescence spectrophotometric methods. The catalytic activities on DNA cleavage of the complexes 1-3 were studied, which copper complex 1 showed better catalyst activity in the DNA cleavage process than complexes 2 and 3. The in vitro cytotoxic potential of the complexes 1-3 against human cervical carcinoma (HeLa), human liver hepatocellular carcinoma (HepG-2), and human colorectal adenocarcinoma (HT-29) cells indicated their promising antitumor activity with quite low IC 50 values in the range of 0.09-1.89 μM, which are 75 times lower than those of cisplatin.

  20. Crystal structures of salicylideneguanylhydrazinium chloride and its copper(II) and cobalt(III) chloride complexes

    International Nuclear Information System (INIS)

    Chumakov, Yu. M.; Tsapkov, V. I.; Bocelli, G.; Antosyak, B. Ya.; Shova, S. G.; Gulea, A. P.

    2006-01-01

    The crystal structures of salicylideneguanylhydrazinium chloride hydrate hemiethanol solvate (I), salicylideneguanylhydrazinium trichloroaquacuprate(II) (II), and bis(salicylideneguanylhydrazino)cobalt(III) chloride trihydrate (III) are determined using X-ray diffraction. The structures of compounds I, II, and III are solved by direct methods and refined using the least-squares procedure in the anisotropic approximation for the non-hydrogen atoms to the final factors R = 0.0597, 0.0212, and 0.0283, respectively. In the structure of compound I, the monoprotonated molecules and chlorine ions linked by hydrogen bonds form layers aligned parallel to the (010) plane. In the structure of compound II, the salicylaldehyde guanylhydrazone cations and polymer chains consisting of trichloroaquacuprate(II) anions are joined by an extended three-dimensional network of hydrogen bonds. In the structure of compound III, the [Co(LH) 2 ] + cations, chloride ions, and molecules of crystallization water are linked together by a similar network

  1. UHECR acceleration in dark matter filaments of cosmological structure formation

    Science.gov (United States)

    Malkov, M. A.; Sagdeev, R. Z.; Diamond, P. H.

    2011-04-01

    A mechanism for proton acceleration to ~ 1021 eV is suggested. It may operate in accretion flows onto thin dark matter filaments of cosmic structure formation. The flow compresses the ambient magnetic field to strongly increase and align it with the filament. Particles begin the acceleration by E × B drift with the accretion flow. The energy gain in the drift regime is limited by the conservation of the adiabatic invariant p⊥2/B(r). Upon approaching the filament, the drift turns into the gyro-motion around the filament so that the particle moves parallel to the azimuthal electric field. In this `betatron' regime the acceleration speeds up to rapidly reach the electrodynamic limit cpmax = eBR for an accelerator with magnetic field B and the orbit radius R (Larmor radius). The periodic orbit becomes unstable and the particle slings out of the filament to the region of a weak (uncompressed) magnetic field, which terminates the acceleration. To escape the filament, accelerated particles must have gyro-radii comparable with the filament radius. Therefore, the mechanism requires pre-acceleration that is likely to occur in large scale shocks upstream or nearby the filament accretion flow. Previous studies identify such shocks as efficient proton accelerators, with a firm upper limit ~ 1019.5 eV placed by the catastrophic photo-pion losses. The present mechanism combines explosive energy gain in its final (betatron) phase with prompt particle release from the region of strong magnetic field. It is this combination that allows protons to overcome both the photo-pion and the synchrotron-Compton losses and therefore attain energy ~ 1021 eV. A customary requirement on accelerator power to reach a given Emax, which is placed by the accelerator energy dissipation proptoEmax2/Z0 due to the finite vacuum impedance Z0, is circumvented by the cyclic operation of the accelerator.

  2. Cosmology, the formation of large structure of the Universe

    International Nuclear Information System (INIS)

    Bernardeau, Francis

    1998-01-01

    After having recalled the main recent advances in cosmology (establishment of large catalogues of galaxies, development of the use of the Cold Dark Matter model or CDM model, development of inflation theories, and detection of temperature fluctuations of the cosmological radiation background), this course addresses the issue of formation of large structures. The author first presents some elements of cosmology within the frame of a homogeneous universe: cosmological principles and cosmography, evolution of the expansion factor, present constraints on cosmological parameters, thermal history of the Universe, motivations and basic principle for inflation. Then, he addresses elements of cosmology within the frame of an inhomogeneous universe: fluctuation growth, background of a model with cold dark matter, other models. In the next part, the author addresses linear theories of gravitational dynamics: equation of evolution in phase space, jeans length, Newtonian approximation with a single flow, Eulerian description or Lagrangian description, fluctuation growth in linear theory, the Zel'dovich approximation, vorticity, validity range for the linear approximation. The next part addresses the spherical collapse (or towards a non-linear dynamics): Press and Schechter theory, cluster density to constrain the amplitude of the power spectrum. The next chapter deals with the quasi-linear regime and effects of mode coupling: general properties of the perturbative development, skewness as an effect of mode coupling, dependence on cosmological parameters, interpretation and filtering effect. The next chapters address the hierarchy of correlations in a quasi-linear regime, the application of statistical properties of observable quantities (catalogues of galaxies, two-dimensional catalogues, effects of gravitational lens), the evolution towards a highly non-linear regime (experimental data, self-similar solutions, linear-non-linear transform, hierarchical models, towards a

  3. Nanocomposites with thermosetting matrix: structure formation at the interphase boundary

    Directory of Open Access Journals (Sweden)

    KOROLEV Evgenij Valerjevich

    2014-06-01

    Full Text Available Composites with thermosetting matrix are often characterized by elevated values of operational properties – flexural and compressive strength, resistance to aggressive environments, etc. At the same time the cost of most thermosets (particularly – epoxy resins is quite high. Because of this the area of application of polymer composites in construction is limited. One of such application is the creation of multifunctional coatings. The high cost of resin dictates the need to improve the operational properties to ensure economic efficiency. So far, the known way to improve the operational properties is to produce nanoscale interfacial layer between fine filler and matrix in block. This way proved to be effective, but mechanism of the improvement is still uncertain. There areat least two different theories – so-called «adhesion theory» and «theory of deformable layer». The investigation is complicated by the variety of oligomers, hardeners (crosslinking agents and precursors of nanomodifiers. It is becoming more common lately to use adducts of aliphatic amines and epoxy oligomers as hardeners. As precursors of nanomodifiers the organosilicon compounds with siloxane bond in the main chain can be successfully used. In this paper we present results of investigation of a model system comprised of oligomer, crosslinking agent and precursor. The analysis of structure is carried out by means of Raman spectroscopy and atomic force microscopy. It is shown that at gelation point modifier has no significant effect on the chemical composition of the curing products; nevertheless, the admixture of modifier reduces the regularity of the emerging three-dimensional spatial net of thermoset. After completion of curing process the irregular spatial grid is still present. This indicates that in composites admixture of organosilicon precursors may lead to the formation of transition layer with reduced modulus of elasticity. Such layer, in turn, causes stress

  4. Adaptive control schemes for mobile robot formations with triangularised structures

    NARCIS (Netherlands)

    Guo, J.; Lin, Z.; Cao, M.; Yan, G.

    The study investigates the leader-follower formation control problem, for which the objective is to control a group of robots such that they move as a rigid formation with a prescribed constant velocity. It is assumed in the study that there are two leader robots, who are the only robots in the

  5. Synthesis, NMR characterization, X-ray crystal structure of Co(II) Ni(II) and Cu(II) complexes of a pyridine containing self-assembling

    International Nuclear Information System (INIS)

    Ranjbar, M.; Taghavipour, M.; Moghimi, A.; Aghabozorg, H.

    2002-01-01

    In the recent years, the self-assembling systems have been attracted chemists. The intermolecular bond in such systems mainly consists of ion pairing and hydrogen bonding [1,2]. The reaction between self-assembling system liquid LH 2 (py dc=2,6-pyridinedicarboxylic acid and py da=2,6- pyridine diamin) with cobalt (II) nitrate, nickel (II) chloride, and copper (II) acetate in water leads to the formation of self- assemble coordination complexes, [py da.H] 2 [M(py dc) 2 ]. H 2 O, M=Co(II),Ni(II), and Cu(II). The characterization was performed using elemental analysis, ESI mass spectroscopy, 1 H and 13 C NMR and X-ray crystallography. The crystal systems are monoclinic with space group P2 1 /n and four molecules per unit cell. These complexes shows 13 C NMR resonances of cationic counter ion [(py dc,H)] + in DMSO- d 6 but no signal corresponding to the two coordinated ligands [py dc] 2- The metal atoms are six-coordinated with a distorted octahedral geometry. The two [py de] 2- units are almost perpendicular to each other

  6. Formation of highly organized intracellular structure and energy metabolism in cardiac muscle cells during postnatal development of rat heart.

    Science.gov (United States)

    Anmann, Tiia; Varikmaa, Minna; Timohhina, Natalja; Tepp, Kersti; Shevchuk, Igor; Chekulayev, Vladimir; Saks, Valdur; Kaambre, Tuuli

    2014-08-01

    Adult cardiomyocytes have highly organized intracellular structure and energy metabolism whose formation during postnatal development is still largely unclear. Our previous results together with the data from the literature suggest that cytoskeletal proteins, particularly βII-tubulin, are involved in the formation of complexes between mitochondria and energy consumption sites. The aim of this study was to examine the arrangement of intracellular architecture parallel to the alterations in regulation of mitochondrial respiration in rat cardiomyocytes during postnatal development, from 1 day to 6 months. Respirometric measurements were performed to study the developmental alterations of mitochondrial function. Changes in the mitochondrial arrangement and cytoarchitecture of βII- and αIV-tubulin were examined by confocal microscopy. Our results show that functional maturation of oxidative phosphorylation in mitochondria is completed much earlier than efficient feedback regulation is established between mitochondria and ATPases via creatine kinase system. These changes are accompanied by significant remodeling of regular intermyofibrillar mitochondrial arrays aligned along the bundles of βII-tubulin. Additionally, we demonstrate that formation of regular arrangement of mitochondria is not sufficient per se to provide adult-like efficiency in metabolic feed-back regulation, but organized tubulin networks and reduction in mitochondrial outer membrane permeability for ADP are necessary as well. In conclusion, cardiomyocytes in rat heart become mature on the level of intracellular architecture and energy metabolism at the age of 3 months. Copyright © 2014 Elsevier B.V. All rights reserved.

  7. Mechanisms underlying reductant-induced reactive oxygen species formation by anticancer copper(II) compounds

    OpenAIRE

    Kowol, Christian R.; Heffeter, Petra; Miklos, Walter; Gille, Lars; Trondl, Robert; Cappellacci, Loredana; Berger, Walter; Keppler, Bernhard K.

    2011-01-01

    Intracellular generation of reactive oxygen species (ROS) via thiol-mediated reduction of copper(II) to copper(I) has been assumed as the major mechanism underlying the anticancer activity of copper(II) complexes. The aim of this study was to compare the anticancer potential of copper(II) complexes of Triapine (3-amino-pyridine-2-carboxaldehyde thiosemicarbazone; currently in phase II clinical trials) and its terminally dimethylated derivative with that of 2-formylpyridine thiosemicarbazone a...

  8. Hydroxyl Radical Formation from HULIS and Fe(II) Interactions: Fulvic Acid-Fe(II) Complexes in Simulated and Human Lung Fluids

    Science.gov (United States)

    Gonzalez, D.

    2017-12-01

    Inhalation of fine particulate matter (PM2.5) has long been associated with adverse health outcomes. However, the causative agents and underlying mechanisms for these health effects have yet to be identified. One hypothesis is that PM2.5 deposited in the alveoli produce an excess of highly reactive radicals, leading to oxidative stress. The OH radical may be the most physiologically damaging, capable of oxidizing of lipids, proteins and DNA. Due to the variability and uncertainty in PM2.5 composition, the components that contribute to OH formation are not well understood. Soluble Fe is a component of PM2.5that produces OH under physiological conditions. Humic-like substances are water soluble organics found in biomass burning and tobacco smoke. Humic-like substances are capable of binding to Fe and enhancing OH formation, but this chemistry is not well understood. In this work, we use soil derived fulvic acid as a surrogate for Humic-like substances and investigate its effect on OH formation from Fe(II) under conditions relevant to the lungs. We use a fluorescent OH trapping probe, chemical kinetics and thermodynamic modeling to investigate OH formation from fulvic acid and Fe(II) dissolved in simulated and human lung fluids. In simulated lung fluid, we find that fulvic acid binds to Fe(II) and enhances the rate of key reactions that form OH. When fulvic acid is added to human lung fluids containing Fe(II), an enhancement of OH formation is observed. In human lung fluid, fulvic acid and metal binding proteins compete for Fe binding. These metal binding proteins are typically not found in simulated lung fluids. Results show that fulvic acid strongly binds Fe(II) and catalyzes key reactions that form OH in both simulated and human lung fluids. These results may help explain the role of Humic-like substances and Fe in oxidative stress and adverse health outcomes. Furthermore, we suggest that future studies employ simulated lung fluids containing metal binding proteins

  9. Expandable/Foldable Structures for Habitat, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Folded Structures Company (FSC) has developed an innovative design approach for multi-laminate, primary and secondary structures for planetary habitats that...

  10. Metal Matrix Composite Enchanced Aluminum Structures, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — The proposed research pursues a path for reducing structural weight, increasing structural performance, and reducing fabrication cost while also minimizing...

  11. Improved design format for doubly symmetric thin-walled structural ...

    African Journals Online (AJOL)

    columns was probabilistically assessed and modified to offer a consistent reliability level. Using the First-Order Reliability Method (FORM) and Value Analysis (VA) a target reliability level for the current design format was established to be ...

  12. Surface characteristics and electronic structure of photocatalytic reactions on TiO II and doped TiO II nanoparticles

    Science.gov (United States)

    Österlund, L.; Mattsson, A.

    2006-08-01

    A molecular approach to understand the photocatalytic degradation of small organic molecules adsorbed from the gas phase on anatase, rutile and doped TiO II nanoparticles is presented. Using in situ Fourier transform infrared (FTIR) spectroscopy and mass spectrometry the rate determining steps for the photocatalytic degradation of formic acid, acetone and propane are unraveled. Key intermediates are identified and correlated to structural properties of the TiO II nanoparticles. Specifically, stable bridging bidentate carboxylate (R-CO II) and (bi)carbonate species forms preferentially on rutile particles, and are proposed to inhibit the total photodegradation efficiency. In particular, the concentration of R-CO II is found to decrease with increasing size of the anatase particles, and may at least partly explain why Degussa P25 is a good photocatalyst. Means to avoid R-CO II site-blocking is discussed. Improved solar light efficiencies are difficulty to achieve in cation doped TiO II despite higher visible light absorption and stronger adsorbate-surface interactions.

  13. Rim formation and fission gas behaviour: some structure remarks

    International Nuclear Information System (INIS)

    Spino, J.; Papaioannou, D.; Ray, I.; Baron, D.

    2002-01-01

    In high burn-up LWR nuclear fuel an increase of the Xe-mobility is observed in the rim region according to EPMA. This often coincides with an increase of the local porosity and the grain subdivision of the material in regions around the pores. The restructuring does not always imply disappearance of the prior grain boundaries. This seems to occur in a final step. Micro-XRD studies also show a contraction of the fuel lattice in the rim zone, reflecting mainly the release of accumulated stresses during irradiation, via reordering of defects and defect complexes, including sub-grain formation and displacement of Xe traps. The lattice contraction is not measurable when the fraction of restructured areas is low and the prior grain structure still remains. Nevertheless, in such a case, even the Xe signal by EPMA is observed to decrease, anticipating the displacement of Xe inside the grains, probably towards cavities. However, the quantitative proportion of Xe in matrix and pores can not be given by EPMA. This is confirmed by TEM examinations, showing still plenty of gas bubbles inside restructured grains, in spite of the low Xe signal detected by EPMA. An alternative determination therefore appears necessary. The fission gas release (FGR) behaviour of the rim zone seems then to depend basically on the efficiency of gas retention in its porosity. The closed character of these pores and the low percolation probability derived from the high pore to grain size ratio anticipate a low incidence of open porosity. Also, mechanical tests suggest a low pore interconnection probability by microcracking. However, at very high local burn-ups (>150 GWd/tM), too high porosity values are determined compared to the values derived from immersion density and solid swelling, suggesting the potential existence of open channels. Also, abnormally high porosity values by quantitative metallography might arise from grain pullout during sample preparation. Here, a rough estimation of the release

  14. New Mn(II, Ni(II, Cd(II, Pb(II complexes with 2-methylbenzimidazole and other ligands. Synthesis, spectroscopic characterization, crystal structure, magnetic susceptibility and biological activity studies

    Directory of Open Access Journals (Sweden)

    Shayma A. Shaker

    2016-11-01

    Full Text Available Synthesis and characterization of Mn(II, Ni(II, Cd(II and Pb(II mixed ligand complexes of 2-methylbenzimidazole with other ligands have been reported. The structure of the ligands and their complexes was investigated using elemental analysis, IR, UV–Vis, (1H, 13C NMR spectroscopy, molar conductivity and magnetic susceptibility measurements. In all the studies of complexes, the 2-methylbenzimidazole behaves as a neutral monodentate ligand which is coordinated with the metal ions through the N atom. While benzotriazole behaves as a neutral bidentate ligand which is coordinated with the Ni(II ion through the two N atoms. Moreover, the N-acetylglycine behaves as a bidentate ligand which is coordinated with the Mn(II, Ni(II and Pb(II ions through the N atom and the terminal carboxyl oxygen atom. The magnetic and spectral data indicate the tetrahedral geometry for Mn(II complex, irregular tetrahedral geometry for Pb(II complex and octahedral geometry for Ni(II complex. The X-ray single crystal diffraction method was used to confirm a centrosymmetric dinuclear Cd(II complex as each two metal ions are linked by a pair of thiocyanate N = S bridge. Two 2-methylbenzimidazole N-atom donors and one terminal thiocyanate N atom complete a highly distorted square pyramid geometry around the Cd atom. Besides, different cell types were used to determine the inhibitory effect of Mn(II, Ni(II, Cd(II and Pb(II complexes on cell growth using MTT assay. Cd(II complex showed cytotoxic effect on various types of cancer cell lines with different EC50 values.

  15. The Relation Between Item Format and the Structure of the Eysenck Personality Inventory

    Science.gov (United States)

    Velicer, Wayne F.; Stevenson, John F.

    1978-01-01

    A Likert seven-choice response format for personality inventories allows finer distinctions by subjects than the traditional two-choice format. The Eysenck Personality Inventory was employed in the present study to test the hypothesis that use of the expanded format would result in a clearer and more accurate indication of test structure.…

  16. Synthesis, structure and optical limiting property of Co II, Mn II and Cd II complexes with di-Schiff base and reduced di-Schiff base ligands

    Science.gov (United States)

    Kong, Ling-Yan; Li, Zhen-Wu; Okamura, Taka-aki; Ma, Guo-Hong; Chu, Qian; Zhu, Hui-Fang; Tang, Sing-Hai; Sun, Wei-Yin; Ueyama, Norikazu

    2005-11-01

    Three coordination polymers [Co(L) 2(SCN) 2] ( 1), [Mn(L) 2(SCN) 2] ( 2) and [Cd(H 4L) 2Cl 2] ( 3), were obtained by the reaction of Co II, Mn II, Cd II salts with di-Schiff base ligand N, N'-bis(3-pyridylmethyl)-4,4'-biphenylenedimethyleneimine (L) and its reduced form (H 4L), respectively and their structures were determined by X-ray crystallography. In the solid state, complexes 1 and 2 feature 1D hinged chains, while complex 3 has a 2D network structure. Complex 2 was found to show optical limiting property with a 3 ns pulsed laser at 532 nm in DMF solution.

  17. A High Sensitivity Micro Format Chemiluminescence Enzyme Inhibition Assay for Determination of Hg(II

    Directory of Open Access Journals (Sweden)

    Kanchanmala Deshpande

    2010-06-01

    Full Text Available A highly sensitive and specific enzyme inhibition assay based on alcohol oxidase (AlOx and horseradish peroxidase (HRP for determination of mercury Hg(II in water samples has been presented. This article describes the optimization and miniaturization of an enzymatic assay using a chemiluminescence reaction. The analytical performance and detection limit for determination of Hg(II was optimized in 96 well plates and further extended to 384 well plates with a 10-fold reduction in assay volume. Inhibition of the enzyme activity by dissolved Hg(II was found to be linear in the range 5–500 pg.mL−1 with 3% CVin inter-batch assay. Due to miniaturization of assay in 384 well plates, Hg(II was measurable as low as 1 pg.mL−1 within15 min. About 10-fold more specificity of the developed assay for Hg(II analysis was confirmed by challenging with interfering divalent metal ions such as cadmium Cd(II and lead Pb(II. Using the proposed assay we could successfully demonstrate that in a composite mixture of Hg(II, Cd(II and Pb(II, inhibition by each metal ion is significantly enhanced in the presence of the others. Applicability of the proposed assay for the determination of the Hg(II in spiked drinking and sea water resulted in recoveries ranging from 100–110.52%.

  18. Effects of lead(II) on the extracellular polysaccharide (EPS) production and colony formation of cultured Microcystis aeruginosa.

    Science.gov (United States)

    Bi, Xiang-dong; Zhang, Shu-lin; Dai, Wei; Xing, Ke-zhing; Yang, Fan

    2013-01-01

    To investigate the effects of lead(II) on the production of extracellular polysaccharides (EPS), including bound extracellular polysaccharides (bEPS) and soluble extracellular polysaccharides (sEPS), and the colony formation of Microcystis aeruginosa, cultures of M. aeruginosa were exposed to four concentrations (5.0, 10.0, 20.0 and 40.0 mg/L) of lead(II) for 10 d under controlled laboratory conditions. The results showed that 5.0 and 10.0 mg/L lead(II) stimulated M. aeruginosa growth throughout the experiment while 20.0 and 40.0 mg/L lead(II) inhibited M. aeruginosa growth in the first 2 d exposure and then stimulated it. As compared to the control group, significant increases in the bEPS and sEPS production were observed in 20.0 and 40.0 mg/L lead(II) treatments (P bEPS production, which conversely promoted colony formation, suggesting that heavy metals might be contributing to the bloom-forming of M. aeruginosa in natural conditions.

  19. Synthesis and structure of copper(II) complexes: Potential cyanide ...

    Indian Academy of Sciences (India)

    ing the oxidase models. The necessity to make progress in developing copper oxidase models requires synthesis of appropriate copper complexes to rationalize the func- tions of such oxidases unequivocally.46–52 Therefore, to study the coordination chemistry of Cu(II) incorpo- rating the new azo ligands,53 HLa and HLb, ...

  20. Chemically distinct coupled Cu(II) dimers: Structure and ...

    Indian Academy of Sciences (India)

    Administrator

    Tridentate Schiff's base prepared from 4-methyl-2-amino pyridine and salicylaldehyde acts as binucleating ligand, coordinating as bidentate with one metal ion and monodentate with the second metal ion. The binuclear Cu(II) complex with a m-acetato group has been prepared as the mono perchlorato salt. Electron ...

  1. Zinc(II) complexes of carboxamide derivatives: Crystal structures ...

    Indian Academy of Sciences (India)

    2.3 Synthesis of zinc(II) complexes 1 and 2. Complexes 1 and 2 were prepared following a gen- eral procedure. The ligand (2.0 mmol, 608 mg of L1 or. 654 mg of L2) was dissolved in dry ethanol by stirring the mixture for 15 minutes. To each of these solutions an ethanolic solution of zinc perchlorate hexahydrate.

  2. THE ROLE OF PEBBLE FRAGMENTATION IN PLANETESIMAL FORMATION. II. NUMERICAL SIMULATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Jansson, Karl Wahlberg; Johansen, Anders [Lund Observatory, Department of Astronomy and Theoretical Physics, Lund University, Box 43, SE-221 00 Lund (Sweden); Syed, Mohtashim Bukhari; Blum, Jürgen [Technische Universität Braunschweig, Institut für Geophysik und extraterrestrische Physik, Mendelssohnstraße 3, D-38106 Braunschweig (Germany)

    2017-01-20

    Some scenarios for planetesimal formation go through a phase of collapse of gravitationally bound clouds of millimeter- to centimeter-size pebbles. Such clouds can form, for example, through the streaming instability in protoplanetary disks. We model the collapse process with a statistical model to obtain the internal structure of planetesimals with solid radii between 10 and 1000 km. During the collapse, pebbles collide, and depending on their relative speeds, collisions have different outcomes. A mixture of particle sizes inside a planetesimal leads to better packing capabilities and higher densities. In this paper we apply results from new laboratory experiments of dust aggregate collisions (presented in a companion paper) to model collision outcomes. We find that the internal structure of a planetesimal is strongly dependent on both its mass and the applied fragmentation model. Low-mass planetesimals have no/few fragmenting pebble collisions in the collapse phase and end up as porous pebble piles. The number of fragmenting collisions increases with increasing cloud mass, resulting in wider particle size distributions and higher density. The collapse is nevertheless “cold” in the sense that collision speeds are damped by the high collision frequency. This ensures that a significant fraction of large pebbles survive the collapse in all but the most massive clouds. Our results are in broad agreement with the observed increase in density of Kuiper Belt objects with increasing size, as exemplified by the recent characterization of the highly porous comet 67P/Churyumov–Gerasimenko.

  3. Diversity, mobility, and structural and functional evolution of group II introns carrying an unusual 3' extension

    OpenAIRE

    Tourasse, Nicolas J; Stabell, Fredrik B; Kolstø, Anne-Brit

    2011-01-01

    Background Group II introns are widespread genetic elements endowed with a dual functionality. They are catalytic RNAs (ribozymes) that are able of self-splicing and they are also mobile retroelements that can invade genomic DNA. The group II intron RNA secondary structure is typically made up of six domains. However, a number of unusual group II introns carrying a unique extension of 53-56 nucleotides at the 3' end have been identified previously in bacteria of the Bacillu...

  4. Formation of diapiric structure in the deformation zone, central ...

    Indian Academy of Sciences (India)

    Analyses of bathymetry, gravity and seismic reflection data of the diffusive plate boundary in the central Indian Ocean reveal a new kind of deformed structure besides the well-reported structures of long-wavelength anticlinal basement rises and high-angle reverse faults. The structure (basement trough) has a length of ...

  5. Physiology, Fe(II oxidation, and Fe mineral formation by a marine planktonic cyanobacterium grown under ferruginous conditions

    Directory of Open Access Journals (Sweden)

    Elizabeth D. Swanner

    2015-10-01

    Full Text Available Evidence for Fe(II oxidation and deposition of Fe(III-bearing minerals from anoxic or redox-stratified Precambrian oceans has received support from decades of sedimentological and geochemical investigation of Banded Iron Formations (BIF. While the exact mechanisms of Fe(II oxidation remains equivocal, reaction with O2 in the marine water column, produced by cyanobacteria or early oxygenic phototrophs, was likely. In order to understand the role of cyanobacteria in the deposition of Fe(III minerals to BIF, we must first know how planktonic marine cyanobacteria respond to ferruginous (anoxic and Fe(II-rich waters in terms of growth, Fe uptake and homeostasis, and Fe mineral formation. We therefore grew the common marine cyanobacterium Synechococcus PCC 7002 in closed bottles that began anoxic, and contained Fe(II concentrations that span the range of possible concentrations in Precambrian seawater. These results, along with cell suspension experiments, indicate that Fe(II is likely oxidized by this strain via chemical oxidation with oxygen produced during photosynthesis, and not via any direct enzymatic or photosynthetic pathway. Imaging of the cell-mineral aggregates with scanning electron microscopy (SEM and confocal laser scanning microscopy (CLSM are consistent with extracellular precipitation of Fe(III (oxyhydroxide minerals, but that >10% of Fe(III sorbs to cell surfaces rather than precipitating. Proteomic experiments support the role of reactive oxygen species (ROS in Fe(II toxicity to Synechococcus PCC 7002. The proteome expressed under low Fe conditions included multiple siderophore biosynthesis and siderophore and Fe transporter proteins, but most siderophores are not expressed during growth with Fe(II. These results provide a mechanistic and quantitative framework for evaluating the geochemical consequences of perhaps life’s greatest metabolic innovation, i.e. the evolution and activity of oxygenic photosynthesis, in ferruginous

  6. Spin–Orbit TDDFT Electronic Structure of Diplatinum(II,II) Complexes

    Czech Academy of Sciences Publication Activity Database

    Záliš, Stanislav; Lam, Y.; Ch.; Gray, H. B.; Vlček, Antonín

    2015-01-01

    Roč. 54, č. 7 (2015), s. 3491-3500 ISSN 0020-1669 R&D Projects: GA MŠk LH13015 Institutional support: RVO:61388955 Keywords : BINUCLEAR PLATINUM(II) PHOTOCHEMISTRY * DENSITY-FUNCTIONAL THEORY * SPECTROSCOPIC PROPERTIES Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 4.820, year: 2015

  7. Structure and Chromosomal Organization of Yeast Genes Regulated by Topoisomerase II.

    Science.gov (United States)

    Joshi, Ricky S; Nikolaou, Christoforos; Roca, Joaquim

    2018-01-03

    Cellular DNA topoisomerases (topo I and topo II) are highly conserved enzymes that regulate the topology of DNA during normal genome transactions, such as DNA transcription and replication. In budding yeast, topo I is dispensable whereas topo II is essential, suggesting fundamental and exclusive roles for topo II, which might include the functions of the topo IIa and topo IIb isoforms found in mammalian cells. In this review, we discuss major findings of the structure and chromosomal organization of genes regulated by topo II in budding yeast. Experimental data was derived from short (10 min) and long term (120 min) responses to topo II inactivation in top-2 ts mutants. First, we discuss how short term responses reveal a subset of yeast genes that are regulated by topo II depending on their promoter architecture. These short term responses also uncovered topo II regulation of transcription across multi-gene clusters, plausibly by common DNA topology management. Finally, we examine the effects of deactivated topo II on the elongation of RNA transcripts. Each study provides an insight into the particular chromatin structure that interacts with the activity of topo II. These findings are of notable clinical interest as numerous anti-cancer therapies interfere with topo II activity.

  8. Beyond the Chandrasekhar limit: Structure and formation of compact ...

    Indian Academy of Sciences (India)

    The concept of limiting mass, introduced by Chandrasekhar in case of white dwarfs, plays an important role in the formation and stability of compact objects such as neutron stars and black holes. Like white dwarfs, neutron stars have their own mass limit, and a compact configuration would progress from one family to the ...

  9. Intramolecular Fe(II)-Catalyzed N–O or N–N Bond Formation from Aryl Azides

    Science.gov (United States)

    Stokes, Benjamin J.; Vogel, Carl V.; Urnezis, Linda K.; Pan, Minjie; Driver, Tom G.

    2010-01-01

    Iron(II) bromide catalyzes the transformation of aryl- and vinyl azides with ketone- or methyl oxime substituents into 2,1-benzisoxazoles, indazoles or pyrazoles through the formation of an N–O or N–N bond. This transformation tolerates a variety of different functional groups to facilitate access to a range of benzisoxazoles or indazoles. The unreactivity of the Z-methyloxime indicates that N-heterocycle formation occurs through a nucleophilic attack of the ketone or oxime onto an activated planar iron azide complex. PMID:20507088

  10. Role of adsorbed arsenic and structural aluminum on Fe(II) retention and transformation of ferrihydrite (Invited)

    Science.gov (United States)

    Sharma, R.; Masue-Slowey, Y.; Fendorf, S. E.

    2009-12-01

    Arsenic is a wide-spread toxin contaminating water from both natural (as in the case of South and Southeast Asia) and anthropogenic sources. Its high affinity for soil solids helps to regulate the deleterious impacts of this toxic element on ecosystem and human health. Iron (hydr)oxides are of particular importance in controlling dissolved concentrations of arsenic, making the behavior of these substrates crucial to understanding the transport and ultimate fate of arsenic. Ferrihydrite is one of the most active forms of Fe (hydr)oxides, and aluminum-substituted ferrihydrite is a common form of this phase in soils and sediment. Sorption of Fe(II) catalyzes the transformation of the thermodynamically unstable ferrihydrite to more thermodynamically stable Fe (hydr)oxides. Although the process of ferrihydrite transformation has been extensively studied, the role of structural aluminum and adsorbed arsenic on the Fe(II)-catalyzed transformation of ferrihydrite is unknown. Hence, the objective of this study was to compare how ferrihydrite and aluminum-substituted ferrihydrite differ in their retention of Fe(II) and the resulting transformation rates and products in the presence and absence of arsenic. Sand coated with ferrihydrite and aluminum-ferrihydrite (with and without adsorbed arsenic) was packed into columns and flow of circumneutral groundwater solution containing 0.2 to 4 mM Fe(II) was initiated. Breakthrough of Fe(II) was monitored using the ferrozine colorimetric assay to determine Fe(II) retention in the solid phase. The solid phase was characterized using Fe K-edge X-ray absorption spectroscopy and scanning electron microscopy. Structural aluminum limits Fe(II) sorption, and, as a consequence, the extent of the aluminum-substituted ferrihydrite transformation is much less than that of ferrihydrite. Adsorbed As further decreases Fe(II) retention on aluminum-ferrihydrite. In contrast, Fe(II) retention on ferrihydrite is enhanced in the presence of arsenic due

  11. Bipyrimidine ruthenium(II) arene complexes: structure, reactivity and cytotoxicity

    Czech Academy of Sciences Publication Activity Database

    Betanzos-Lara, S.; Nováková, Olga; Deeth, R.J.; Pizarro, A.M.; Clarkson, G.J.; Lišková, Barbora; Brabec, Viktor; Sadler, P.J.; Habtemariam, A.

    2012-01-01

    Roč. 17, č. 7 (2012), s. 1033-1051 ISSN 0949-8257 R&D Projects: GA ČR(CZ) GAP301/10/0598; GA ČR(CZ) GD301/09/H004 Institutional research plan: CEZ:AV0Z50040702 Keywords : ruthenium(II) arene complexes * cytotoxicity * DNA binding Subject RIV: BO - Biophysics Impact factor: 3.353, year: 2012

  12. New Cu (II), Co(II) and Ni(II) complexes of chalcone derivatives: Synthesis, X-ray crystal structure, electrochemical properties and DFT computational studies

    Science.gov (United States)

    Tabti, Salima; Djedouani, Amel; Aggoun, Djouhra; Warad, Ismail; Rahmouni, Samra; Romdhane, Samir; Fouzi, Hosni

    2018-03-01

    The reaction of nickel(II), copper(II) and cobalt(II) with 4-hydroxy-3-[(2E)-3-(1H-indol-3-yl)prop-2-enoyl]-6-methyl-2H-pyran-2-one (HL) leads to a series of new complexes: Ni(L)2(NH3), Cu(L)2(DMF)2 and Co(L)2(H2O). The crystal structure of the Cu(L)2(DMF)2 complex have been determined by X-ray diffraction methods. The Cu(II) lying on an inversion centre is coordinated to six oxygen atoms forming an octahedral elongated. Additionally, the electrochemical behavior of the metal complexes were investigated by cyclic voltammetry at a glassy carbon electrode (GC) in CH3CN solutions, showing the quasi-reversible redox process ascribed to the reduction of the MII/MI couples. The X-ray single crystal structure data of the complex was matched excellently with the optimized monomer structure of the desired compound; Hirschfeld surface analysis supported the packed crystal lattice 3D network intermolecular forces. HOMO/LUMO energy level and the global reactivity descriptors quantum parameters are also calculated. The electrophilic and nucleophilic potions in the complex surface are theoretically evaluated by molecular electrostatic potential and Mulliken atomic charges analysis.

  13. Hydration structure and water exchange dynamics of Fe(II) ion in ...

    African Journals Online (AJOL)

    Computer simulation studies of the hydration structure and water exchange dynamics in the first hydration shell for Fe(II) in water are presented. The structure of the hydrated ion is discussed in terms of radial distribution functions, coordination numbers, and angular distributions. The average first-shell hydration structure is ...

  14. Fibre structure of decametric type II radio bursts as a manifestation of emission propagation effects in a disturbed near-solar plasma

    OpenAIRE

    A. N. Afanasiev

    2009-01-01

    This paper addresses the fine structure of solar decametric type II radio bursts in the form of drifting narrowband fibres on the dynamic spectrum. Observations show that this structure appears in those events where there is a coronal mass ejection (CME) traveling in the near-solar space ahead of the shock wave responsible for the radio burst. The diversity in observed morphology of fibres and values of their parameters implies that the fibres may be caused by different formation mechanisms. ...

  15. Triggered Star Formation around Mid-infrared Bubbles in the G8.14+0.23 H II Region

    Science.gov (United States)

    Dewangan, L. K.; Ojha, D. K.; Anandarao, B. G.; Ghosh, S. K.; Chakraborti, S.

    2012-09-01

    Mid-infrared shells or bubbles around expanding H II regions have received much attention due to their ability to initiate a new generation of star formation. We present multi-wavelength observations around two bubbles associated with a southern massive star-forming region G8.14+0.23, to investigate the triggered star formation signature on the edges of the bubbles by the expansion of the H II region. We have found observational signatures of the collected molecular and cold dust material along the bubbles and the 12CO(J = 3-2) velocity map reveals that the molecular gas in the bubbles is physically associated around the G8.14+0.23 region. We have detected 244 young stellar objects (YSOs) in the region and about 37% of these YSOs occur in clusters. Interestingly, these YSO clusters are associated with the collected material on the edges of the bubbles. We have found good agreement between the dynamical age of the H II region and the kinematical timescale of bubbles (from the 12CO(J = 3-2) line data) with the fragmentation time of the accumulated molecular materials to explain possible "collect and collapse" process around the G8.14+0.23 region. However, one cannot entirely rule out the possibility of triggered star formation by compression of the pre-existing dense clumps by the shock wave. We have also found two massive embedded YSOs (about 10 and 22 M ⊙) which are associated with the dense fragmented clump at the interface of the bubbles. We conclude that the expansion of the H II region is also leading to the formation of these two young massive embedded YSOs in the G8.14+0.23 region.

  16. Syntheses, Crystal Structures and Thermal Behaviors of Two Supramolecular Salamo-Type Cobalt(II and Zinc(II Complexes

    Directory of Open Access Journals (Sweden)

    Gang Li

    2017-07-01

    Full Text Available This paper reports the syntheses of two new complexes, [Co(L1(H2O2] (1 and [{Zn(L2(μ-OAcZn(n-PrOH}2] (2, from asymmetric halogen-substituted Salamo-type ligands H2L1 and H3L2, respectively. Investigation of the crystal structure of complex 1 reveals that the complex includes one Co(II ion, one (L12− unit and two coordinated water molecules. Complex 1 shows slightly distorted octahedral coordination geometry, forming an infinite 2D supramolecular structure by intermolecular hydrogen bond and π–π stacking interactions. Complex 2 contains four Zn(IIions, two completely deprotonated (L23− moieties, two coordinated μ-OAc− ions and n-propanol molecules. The Zn(II ions in complex 2 display slightly distorted trigonal bipyramidal or square pyramidal geometries.

  17. Crystal structure of bis(N,N,N′,N′-tetramethylguanidinium tetrachloridocuprate(II

    Directory of Open Access Journals (Sweden)

    Mamadou Ndiaye

    2016-07-01

    Full Text Available In the structure of the title salt, (C5H14N32[CuCl4], the CuII atom in the anion lies on a twofold rotation axis. The tetrachloridocuprate(II anion adopts a flattened tetrahedral coordination environment and interacts electrostatically with the tetramethylguanidinium cation. The crystal packing is additionally consolidated through N—H...Cl and C—H...Cl hydrogen bonds, resulting in a three-dimensional network structure.

  18. Towards an Effective THeory Of Structure formation (ETHOS)

    CERN Multimedia

    CERN. Geneva

    2016-01-01

    Although there is substantial gravitational evidence for the existence of dark matter, its particle nature remains one of the biggest mysteries in modern physics. The favourite theoretical model, Cold Dark Matter (CDM), assumes that non-gravitational dark matter interactions are irrelevant for galaxy formation and evolution. Surprisingly, current astronomical observations allow significant departures from the CDM hypothesis that have a relevant impact on our understanding of how galaxies form and evolve. Moreover, the observed properties of the smallest galaxies have been a consistent challenge for the CDM model. In this talk, I will argue that to explain galaxy formation and evolution in the broadest sense, an effective dark matter theory must contain a wider range of dark matter particle physics. I will describe the first steps we have taken towards developing ETHOS and present some of its applications.

  19. Formation of Bi(II) and Bi(IV) in aqueous hydrochloric solutions of Bi(III)

    International Nuclear Information System (INIS)

    Aleksandrov, A.I.; Makarov, I.E.

    1987-01-01

    They have detected the formation of Bi(II) and Bi(IV) in concentrated hydrochloric acid solutions and determined certain of their physicochemical properties using low-temperature radiolysis with optical recording, EPR spectroscopy, and pulse radiolysis. The formation of bismuth (II) and bismuth (IV) under the action of ionizing radiation on hydrochloric acid solutions of bismuth (III) has been shown by low-temperature and pulse radiolysis. The kinetics of bismuth (IV) disappearance at 300 0 K have a complex nature and would seem to be caused both by the disproportionation of bismuth (IV) and the reaction of bismuth (IV) with bismuth (II), which leads to bismuth (III). The properties of bismuth (IV), which is formed from the reaction of Cl 2 - with bismuth (III) agree with previously established relationships on the variation in optical transition energies and the unpaired electron density at the s atomic orbital of the ion for the series of isoelectronic ions mercury (I), thallium (II), lead (III), and bismuth (IV) in the 2 S/sub 1/2/ state

  20. Reflexive Aero Structures for Enhanced Survivability, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Cornerstone Research Group Inc. (CRG) will develop an advanced reflexive structure technology system to increase the survivability of future systems constructed of...

  1. Refractory Coated/Lined Low Density Structures, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — This project addresses the development of refractory coated or lined low density structures applicable for advanced future propulsion system technologies. The...

  2. Structural and biochemical characterization of the type-II LOG protein from Streptomyces coelicolor A3.

    Science.gov (United States)

    Seo, Hogyun; Kim, Kyung-Jin

    2018-03-29

    Streptomyces coelicolor A3 contains Sc5140, a gene coding for poorly understood bacterial LOG-like protein. In this study, we determined the crystal structure of Sc5140 and found it resembles the overall structure of other type-II LOGs. In addition, Sc5140 exhibited phosphoribohydrolase activity against adenosine monophosphate (AMP), indicating that it had the same function as known type-II LOGs. Based on these results, we designated Sc5140 as ScLOGII. We performed docking calculations of AMP into the ScLOGII structure, which suggested the mode of binding for type-II LOG with their AMP substrate. The ScLOGII structure uniquely exhibited a long tail-like structure at the N-terminus that was involved in hexamerization of the protein; the disordered N-terminal region (DNR). Truncation of DNR in ScLOGII negatively affected both the phosphoribohydrolase activity and the oligomerization of the protein, suggesting that this region functioned in enzyme stabilization. However, results from truncation experiments using ScLOGII and CgLOGII, a type-II LOG homologue from Corynebacterium glutamicum, were quite different, leaving uncertainty regarding the general functions of DNR in type-II LOGs. Overall, the current structural work may help in understand the significance of type-II LOG protein at the molecular level. Copyright © 2018 Elsevier Inc. All rights reserved.

  3. FORMATION OF ORGANIZATIONAL AND ECONOMIC INTEGRATED STRUCTURES IN THE ALUMINUM INDUSTRY

    Directory of Open Access Journals (Sweden)

    S. B. Kazbekova

    2013-01-01

    Full Text Available The paper reveals the theoretical foundations of economic efficiency of production and integrated structures formation. Their advantages are demonstrated by the example of the formation of vertically integrated structures in the aluminium industry in the framework created by smelting aluminium cluster inKazakhstan. Also examines the valuable experience gained in the organization of such structures in theRussian Federationin recent years

  4. Purdue Plane Structures Analyzer II : a computerized wood engineering system

    Science.gov (United States)

    S. K. Suddarth; R. W. Wolfe

    1984-01-01

    The Purdue Plane Structures Analyzer (PPSA) is a computer program developed specifically for the analysis of wood structures. It uses recognized analysis procedures, in conjunction with recommendations of the 1982 National Design Specification for Wood Construction, to determine stresses and deflections of wood trusses and frames. The program offers several options for...

  5. Self-formation and release of arbitrary-curvatured structures utilizing droplet deposition and structured surface

    International Nuclear Information System (INIS)

    Chen, Chin-Tai; Chieng, Ching-Chang; Tseng, Fan-Gang

    2008-01-01

    This paper proposes a method of micro-fabrication for the formation of complex non-planar shapes by depositing a colloid evaporative droplet onto topographically structured surfaces. The micro-droplet composed of polyurethane (PU) was self-driven by surface tension to adjust their three-dimensional (3D) shapes bound with the surface of the micro-well array. The micro-wells formed from poly-dimethysiloxane (PDMS) consisted of vertical sidewalls to constrain the fluids as boundary conditions in the Young–Laplace equation until drying. Two types of wetting regimes (fully and partially), corresponding to different droplet volume and allocation, were categorized to perform the shaping process in which evolving fluid contours were self-formed utilizing the general principle of minimal surface energy with certain features of the shape set by the wetting of the PDMS. Using the heterogeneous surfaces, slight-concave circular terraces and half-moon shapes with high curvature were fabricated with micrometer dimensions (well diameter of 900 µm). The formed structures were observed to release themselves from the hydrophobic wells by the de-wetting (de-pinned) process in the completion of evaporation. Moreover, the effects of the boundaries were further explored for half-moon shapes by giving three distinct footprints of the partially wetting droplets. In these cases, both experimental results and numerical calculations were performed and compared to illustrate the significant influence of the fluid contact angle (∼90°) and position with a curved boundary line on final formed shape, in particular for the change of curvature (κ-bar = 0.62–1.36). Compared to those traditional assays operated on two-dimensional (2D) flat surfaces, this structured-well one could greatly enhance the control of 3D topographic formation in terms of aspect ratio, thickness and curved degree. This novel operation of micro-fabrication is also appropriate for smaller and complex structures by

  6. 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.

  7. Crystal structure of the sweet-tasting protein thaumatin II at 1.27 A

    International Nuclear Information System (INIS)

    Masuda, Tetsuya; Ohta, Keisuke; Tani, Fumito; Mikami, Bunzo; Kitabatake, Naofumi

    2011-01-01

    Highlights: → X-ray crystallographic structure of sweet-tasting protein, thaumatin II, was determined at a resolution of 1.27 A. → The overall structure of thaumatin II is similar to that of thaumatin I, but a slight shift of the Cα atom of G96 in thaumatin II was observed. → The side chain of two critical residues, 67 and 82, for sweetness was modeled in two alternative conformations. → The flexibility and fluctuation of side chains at 67 and 82 seems to be suitable for interaction of thaumatin molecules with sweet receptors. -- Abstract: Thaumatin, an intensely sweet-tasting protein, elicits a sweet taste sensation at 50 nM. Here the X-ray crystallographic structure of one of its variants, thaumatin II, was determined at a resolution of 1.27 A. Overall structure of thaumatin II is similar to thaumatin I, but a slight shift of the Cα atom of G96 in thaumatin II was observed. Furthermore, the side chain of residue 67 in thaumatin II is highly disordered. Since residue 67 is one of two residues critical to the sweetness of thaumatin, the present results suggested that the critical positive charges at positions 67 and 82 are disordered and the flexibility and fluctuation of these side chains would be suitable for interaction of thaumatin molecules with sweet receptors.

  8. Crystal structure of the sweet-tasting protein thaumatin II at 1.27 A

    Energy Technology Data Exchange (ETDEWEB)

    Masuda, Tetsuya, E-mail: t2masuda@kais.kyoto-u.ac.jp [Division of Food Science and Biotechnology, Graduate School of Agriculture, Kyoto University, Uji, Kyoto 611-0011 (Japan); Department Natural Resources, Graduate School of Global Environmental Studies, Kyoto University, Uji, Kyoto 611-0011 (Japan); Ohta, Keisuke; Tani, Fumito [Division of Food Science and Biotechnology, Graduate School of Agriculture, Kyoto University, Uji, Kyoto 611-0011 (Japan); Department Natural Resources, Graduate School of Global Environmental Studies, Kyoto University, Uji, Kyoto 611-0011 (Japan); Mikami, Bunzo [Division of Applied Life Sciences, Graduate School of Agriculture, Kyoto University, Uji, Kyoto 611-0011 (Japan); Kitabatake, Naofumi [Division of Food Science and Biotechnology, Graduate School of Agriculture, Kyoto University, Uji, Kyoto 611-0011 (Japan); Department Natural Resources, Graduate School of Global Environmental Studies, Kyoto University, Uji, Kyoto 611-0011 (Japan)

    2011-07-08

    Highlights: {yields} X-ray crystallographic structure of sweet-tasting protein, thaumatin II, was determined at a resolution of 1.27 A. {yields} The overall structure of thaumatin II is similar to that of thaumatin I, but a slight shift of the C{alpha} atom of G96 in thaumatin II was observed. {yields} The side chain of two critical residues, 67 and 82, for sweetness was modeled in two alternative conformations. {yields} The flexibility and fluctuation of side chains at 67 and 82 seems to be suitable for interaction of thaumatin molecules with sweet receptors. -- Abstract: Thaumatin, an intensely sweet-tasting protein, elicits a sweet taste sensation at 50 nM. Here the X-ray crystallographic structure of one of its variants, thaumatin II, was determined at a resolution of 1.27 A. Overall structure of thaumatin II is similar to thaumatin I, but a slight shift of the C{alpha} atom of G96 in thaumatin II was observed. Furthermore, the side chain of residue 67 in thaumatin II is highly disordered. Since residue 67 is one of two residues critical to the sweetness of thaumatin, the present results suggested that the critical positive charges at positions 67 and 82 are disordered and the flexibility and fluctuation of these side chains would be suitable for interaction of thaumatin molecules with sweet receptors.

  9. FASTR: A novel data format for concomitant representation of RNA sequence and secondary structure information.

    Science.gov (United States)

    Bose, Tungadri; Dutta, Anirban; Mh, Mohammed; Gandhi, Hemang; Mande, Sharmila S

    2015-09-01

    Given the importance of RNA secondary structures in defining their biological role, it would be convenient for researchers seeking RNA data if both sequence and structural information pertaining to RNA molecules are made available together. Current nucleotide data repositories archive only RNA sequence data. Furthermore, storage formats which can frugally represent RNA sequence as well as structure data in a single file, are currently unavailable. This article proposes a novel storage format, 'FASTR', for concomitant representation of RNA sequence and structure. The storage efficiency of the proposed FASTR format has been evaluated using RNA data from various microorganisms. Results indicate that the size of FASTR formatted files (containing both RNA sequence as well as structure information) are equivalent to that of FASTA-format files, which contain only RNA sequence information. RNA secondary structure is typically represented using a combination of a string of nucleotide characters along with the corresponding dot-bracket notation indicating structural attributes. 'FASTR' - the novel storage format proposed in the present study enables a frugal representation of both RNA sequence and structural information in the form of a single string. In spite of having a relatively smaller storage footprint, the resultant 'fastr' string(s) retain all sequence as well as secondary structural information that could be stored using a dot-bracket notation. An implementation of the 'FASTR' methodology is available for download at http://metagenomics.atc.tcs.com/compression/fastr.

  10. Structure formation of 5083 alloy during friction stir welding

    Science.gov (United States)

    Zaikina, A. A.; Kolubaev, A. V.; Sizova, O. V.; Ivanov, K. V.; Filippov, A. V.; Kolubaev, E. A.

    2017-12-01

    This paper provides a comparative study of structures obtained by friction stir welding and sliding friction of 5083 Al alloy. Optical and electron microscopy reveals identical fine-grained structures with a grain size of ˜5 µm both in the weld nugget zone and subsurface layer in friction independently of the initial grain size of the alloy. It has been suggested that the grain boundary sliding is responsible for the specific material flow pattern in both techniques considered.

  11. Issues of structure formation of multi-component construction materials

    OpenAIRE

    Sidorenko Yulia; Korenkova Sofia; Guryanov Alexander

    2017-01-01

    Growing volumes of construction result in the rising demand for high-quality wall materials and products, growing relevance of availability of resource and raw-material base of natural and industrial products for the construction industry. Structural, physical and mechanical qualities of these products can be improved through systematical selection of compositions based on natural and raw materials, including nano-scale products. The goal of this paper is to provide rationale for structure fo...

  12. Quantifiable and Reliable Structural Health Management Systems, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Under Project Constellation, NASA is developing a new generation of spacecraft for human spaceflight. A significant percentage of the structures used in these...

  13. Structural Integrity Inspection and Visualization System, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Based on the successful feasibility demonstration in Phase I, Physical Optics Corporation (POC) proposes to continue the development of a novel Structural Integrity...

  14. New Analysis and Theory of Deployable Folded Structures, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — A recently developed mathematical folding theory has great value for deployable space structures and in situ manufacture of large beams, panels and cylinders. The...

  15. Passive Wireless Sensor System for Structural Health Monitoring, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Albido proposes to develop a Passive Wireless Sensor System for Structural Health Monitoring capable of measuring high-bandwidth temperature and strain of space and...

  16. Large Format LW Type-II SLS FPAs for Space Applications, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — This Phase I SBIR proposes to develop high performance (low dark current, high quantum efficiency, and low NEdT) infrared epitaxy materials based on Type II Strained...

  17. Soviet and American Airwomen During World War II: A Comparison of Their Formation, Treatment and Dismissal

    National Research Council Canada - National Science Library

    Myers, Beth

    2003-01-01

    .... World War II provides an interesting setting to study women and warfare because the belligerent countries mobilized millions of women for the war effort, both in civilian and military capacities...

  18. Learning the 3-D structure of objects from 2-D views depends on shape, not format

    Science.gov (United States)

    Tian, Moqian; Yamins, Daniel; Grill-Spector, Kalanit

    2016-01-01

    Humans can learn to recognize new objects just from observing example views. However, it is unknown what structural information enables this learning. To address this question, we manipulated the amount of structural information given to subjects during unsupervised learning by varying the format of the trained views. We then tested how format affected participants' ability to discriminate similar objects across views that were rotated 90° apart. We found that, after training, participants' performance increased and generalized to new views in the same format. Surprisingly, the improvement was similar across line drawings, shape from shading, and shape from shading + stereo even though the latter two formats provide richer depth information compared to line drawings. In contrast, participants' improvement was significantly lower when training used silhouettes, suggesting that silhouettes do not have enough information to generate a robust 3-D structure. To test whether the learned object representations were format-specific or format-invariant, we examined if learning novel objects from example views transfers across formats. We found that learning objects from example line drawings transferred to shape from shading and vice versa. These results have important implications for theories of object recognition because they suggest that (a) learning the 3-D structure of objects does not require rich structural cues during training as long as shape information of internal and external features is provided and (b) learning generates shape-based object representations independent of the training format. PMID:27153196

  19. Shock-wave structure formation in a dusty plasma

    International Nuclear Information System (INIS)

    Popel', S.I.; Golub', A.P.; Loseva, T.V.; Bingkhem, R.; Benkadda, S.

    2001-01-01

    Nonstationary problem on evolution perturbation and its transformation into nonlinear wave structure is considered. The method developed permits finding solution to the system of nonlinear evolution equations describing dust particles with variable charge, Boltzmann electron and inertia ions. An accurate stationary solution as ion-sonic wave structures explained by anomalous dissipation due to electric discharge of dust particles was found. Evolution of two types of initial perturbations was studied, i.e.: soliton and immobile region with increased density of ions - a step. Soliton evolution in plasma with variable charge of dust particles results in the appearance on nonstationary shock-wave structure, whereas the step evolution gives rise to appearance of a shock wave similar to the stationary one along with rarefaction wave [ru

  20. Rational assembly of Pb(II)/Cd(II)/Mn(II) coordination polymers based on flexible V-shaped dicarboxylate ligand: Syntheses, helical structures and properties

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Gao-Shan [School of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Liu, Chong-Bo, E-mail: cbliu@nchu.edu.cn [School of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063 (China); School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Liu, Hong [School of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Robbins, Julianne; Zhang, Z. John [School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA 30332 (United States); Yin, Hong-Shan [School of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063 (China); Wen, Hui-Liang [State Key Laboratory of Food Science and Technology, Nanchang University, Nanchang 330047 (China); Wang, Yu-Hua [School of Environment and Chemical Engineering, Nanchang Hangkong University, Nanchang 330063 (China)

    2015-05-15

    Six new coordination polymers, namely, [Pb(L)(H{sub 2}O)] (1), [Pb(L)(phen)] (2), [Pb{sub 2}(L){sub 2}(4,4′-bipy){sub 0.5}] (3), [Cd(L)(phen)] (4), [Cd(L)(4,4′-bipy)]·H{sub 2}O (5) and [Mn(L)(4,4′-bipy)]·H{sub 2}O (6) have been synthesized by the hydrothermal reaction of 2,2′-[hexafluoroisopropylidenebis(p-phenyleneoxy)]diacetic acid (H{sub 2}L) with Pb(II)/Cd(II)/Mn(II) in the presence of ancillary ligands 4,4′-bipyridine (4,4′-bipy) or 1,10-phenanthroline (phen). Complexes 1 and 4–6 exhibit 2-D structures, and complexes 2–3 display 3-D frameworks, of which L{sup 2−} ligands join metal ions to single-stranded helical chains of 1, 3–6 and double-stranded helical chains of 2. Complexes 2 and 3 also contain double-stranded Metal–O helices. Topology analysis reveals that complexes 1 and 4 both represent 4-connected sql net, 2 represents 6-connected pcu net, 3 exhibits a novel (3,12)-connected net, while 5 and 6 display (3,5)-connected gek1 net. The six complexes exhibit two kinds of inorganic–organic connectivities: I{sup 0}O{sup 2} for 1, 4–6, and I{sup 1}O{sup 2} for 2–3. The photoluminescent properties of 4–5 and the magnetic properties of 6 have been investigated. - Graphical abstract: Six new Pb(II)/Cd(II)/Mn(II) coordination polymers with helical structures based on flexible V-shaped dicarboxylate ligand have been synthesized and structurally characterized. Photoluminescent and magnetic properties have been investigated. - Highlights: • Six novel M(II) coordination polymers with 2,2′-[hexafluoroisopropylidenebis(p-phenyleneoxy)]diacetic acid and N-donor ligands. • Complexes 1–6 show diverse intriguing helical characters. • The luminescent properties of complexes 1–5 were investigated. • Complex 6 shows antiferromagnetic coupling.

  1. Electric Field Structures in Thin Films: Formation and Properties

    DEFF Research Database (Denmark)

    Cassidy, Andrew; Plekan, Oksana; Balog, Richard

    2014-01-01

    by combining layers of different spontelectric materials. This is demonstrated using the spontelectric materials nitrous oxide, toluene, isoprene, isopentane, and CF2Cl2. These yield a variety of tailored electric field structures, with individual layers harboring fields between 107 and 108 V/m. Fields may......A newly discovered class of molecular materials, so-called “spontelectrics”, display spontaneous electric fields. Here we show that the novel properties of spontelectrics can be used to create composite spontelectrics, illustrating how electric fields in solid films may be structured on the nanoscale...

  2. Structure and decomposition of the silver formate Ag(HCO{sub 2})

    Energy Technology Data Exchange (ETDEWEB)

    Puzan, Anna N., E-mail: anna_puzan@mail.ru; Baumer, Vyacheslav N.; Mateychenko, Pavel V.

    2017-02-15

    Crystal structure of the silver formate Ag(HCO{sub 2}) has been determined (orthorhombic, sp.gr. Pccn, a=7.1199(5), b=10.3737(4), c=6.4701(3)Å, V=477.88(4) Å{sup 3}, Z=8). The structure contains isolated formate ions and the pairs Ag{sub 2}{sup 2+} which form the layers in (001) planes (the shortest Ag–Ag distances is 2.919 in the pair and 3.421 and 3.716 Å between the nearest Ag atoms of adjacent pairs). Silver formate is unstable compound which decompose spontaneously vs time. Decomposition was studied using Rietveld analysis of the powder diffraction patterns. It was concluded that the diffusion of Ag atoms leads to the formation of plate-like metal particles as nuclei in the (100) planes which settle parallel to (001) planes of the silver formate matrix. - Highlights: • Silver formate Ag(HCO{sub 2}) was synthesized and characterized. • Layered packing of Ag-Ag pairs in the structure was found. • Decomposition of Ag(HCO{sub 2}) and formation of metal phase were studied. • Rietveld-refined micro-structural characteristics during decomposition reveal the space relationship between the matrix structure and forming Ag phase REPLACE with: Space relationship between the matrix structure and forming Ag phase.

  3. The anatomy of the NGC5044 group - II. Stellar populations and star formation histories

    Science.gov (United States)

    Mendel, J. Trevor; Proctor, Robert N.; Rasmussen, Jesper; Brough, Sarah; Forbes, Duncan A.

    2009-07-01

    The distribution of galaxy properties in groups and clusters holds important information on galaxy evolution and growth of structure in the Universe. While clusters have received appreciable attention in this regard, the role of groups as fundamental to formation of the present-day galaxy population has remained relatively unaddressed. Here, we present stellar ages, metallicities and α-element abundances derived using Lick indices for 67 spectroscopically confirmed members of the NGC5044 galaxy group with the aim of shedding light on galaxy evolution in the context of the group environment. We find that galaxies in the NGC5044 group show evidence for a strong relationship between stellar mass and metallicity, consistent with their counterparts in both higher and lower mass groups and clusters. Galaxies show no clear trend of age or α-element abundance with mass, but these data form a tight sequence when fitted simultaneously in age, metallicity and stellar mass. In the context of the group environment, our data support the tidal disruption of low-mass galaxies at small group-centric radii, as evident from an apparent lack of galaxies below ~109Msolar within ~100kpc of the brightest group galaxy. Using a joint analysis of absorption- and emission-line metallicities, we are able to show that the star-forming galaxy population in the NGC5044 group appears to require gas removal to explain the ~1.5dex offset between absorption- and emission-line metallicities observed in some cases. A comparison with other stellar population properties suggests that this gas removal is dominated by galaxy interactions with the hot intragroup medium.

  4. STAR FORMATION AND FEEDBACK IN SMOOTHED PARTICLE HYDRODYNAMIC SIMULATIONS. II. RESOLUTION EFFECTS

    International Nuclear Information System (INIS)

    Christensen, Charlotte R.; Quinn, Thomas; Bellovary, Jillian; Stinson, Gregory; Wadsley, James

    2010-01-01

    We examine the effect of mass and force resolution on a specific star formation (SF) recipe using a set of N-body/smooth particle hydrodynamic simulations of isolated galaxies. Our simulations span halo masses from 10 9 to 10 13 M sun , more than 4 orders of magnitude in mass resolution, and 2 orders of magnitude in the gravitational softening length, ε, representing the force resolution. We examine the total global SF rate, the SF history, and the quantity of stellar feedback and compare the disk structure of the galaxies. Based on our analysis, we recommend using at least 10 4 particles each for the dark matter (DM) and gas component and a force resolution of ε ∼ 10 -3 R vir when studying global SF and feedback. When the spatial distribution of stars is important, the number of gas and DM particles must be increased to at least 10 5 of each. Low-mass resolution simulations with fixed softening lengths show particularly weak stellar disks due to two-body heating. While decreasing spatial resolution in low-mass resolution simulations limits two-body effects, density and potential gradients cannot be sustained. Regardless of the softening, low-mass resolution simulations contain fewer high density regions where SF may occur. Galaxies of approximately 10 10 M sun display unique sensitivity to both mass and force resolution. This mass of galaxy has a shallow potential and is on the verge of forming a disk. The combination of these factors gives this galaxy the potential for strong gas outflows driven by supernova feedback and makes it particularly sensitive to any changes to the simulation parameters.

  5. Salt-modulated structure formation in a dense calcium caseinate system

    NARCIS (Netherlands)

    Grabowska, K.J.; Goot, van der A.J.; Boom, R.M.

    2012-01-01

    A 30 wt% calcium caseinate dispersion can be transformed in an anisotropic and fibrous structure by applying well-defined flow and enzymatic gelation. The formation of an anisotropic structure is thought to be due to the micellar structure of the caseinate and the mild adhesion between the micelles

  6. Formation and subdivision of deformation structures during plastic deformation

    DEFF Research Database (Denmark)

    Jakobsen, B.; Poulsen, H.F.; Lienert, U.

    2006-01-01

    of individual, deeply embedded dislocation structures. During tensile deformation of pure copper, dislocation-free regions were identified. They showed an unexpected intermittent dynamics, for example, appearing and disappearing with proceeding deformation and even displaying transient splitting behavior....... Insight into these processes is relevant for an understanding of the strength and work-hardening of deformed materials....

  7. Structure Formation of Thermoresponsive Microgels Suspensions Under Shear Flow

    NARCIS (Netherlands)

    Stieger, M.A.; Lindner, P.; Richtering, W.

    2004-01-01

    Shear-induced structures of concentrated temperature-sensitive poly(N-isopropylacrylamide) (PNiPAM) microgel suspensions have been studied employing small angle neutron scattering (rheo-SANS). The interaction potential of swollen PNiPAM microgels could be varied from repulsive at temperatures below

  8. Formation of diapiric structure in the deformation zone, central ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    trough) has a length of about 150 km and deepens by up to 1 km from its regional trend (northward dipping). The basement trough includes a .... lower sedimentary layers follow the basement trend of the structure on its slopes and abut .... Keeping the spatial deformation activity in view, the early Pliocene age is assigned to ...

  9. Formation of Hg(II) Tetrathiolate Complexes with Cysteine at Neutral pH.

    Science.gov (United States)

    Warner, Thomas; Jalilehvand, Farideh

    2016-04-01

    Mercury(II) ions precipitate from aqueous cysteine (H 2 Cys) solutions containing H 2 Cys/Hg(II) mole ratio ≥ 2.0 as Hg( S -HCys) 2 . In absence of additional cysteine, the precipitate dissolves at pH ~12 with the [Hg( S,N -Cys) 2 ] 2- complex dominating. With excess cysteine (H 2 Cys/Hg(II) mole ratio ≥ 4.0), higher complexes form and the precipitate dissolves at lower pH values. Previously, we found that tetrathiolate [Hg( S -Cys) 4 ] 6- complexes form at pH = 11.0; in this work we extend the investigation to pH values of physiological interest. We examined two series of Hg(II)-cysteine solutions in which C Hg(II) varied between 8 - 9 mM and 80 - 100 mM, respectively, with H 2 Cys/Hg(II) mole ratios from 4 to ~20. The solutions were prepared in the pH range 7.1 - 8.8, at the pH at which the initial Hg( S -HCys) 2 precipitate dissolved. The variations in the Hg(II) speciation were followed by 199 Hg NMR, X-ray absorption and Raman spectroscopic techniques. Our results show that in the dilute solutions ( C Hg(II) = 8 - 9 mM), mixtures of di-, tri- (major) and tetrathiolate complexes exist at moderate cysteine excess ( C H2Cys ~ 0.16 M) at pH 7.1. In the more concentrated solutions ( C Hg(II) = 80 - 100 mM) with high cysteine excess ( C H2Cys > 0.9 M), tetrathiolate [Hg( S -cysteinate) 4 ] m -6 ( m = 0 - 4) complexes dominate in the pH range 7.3 - 7.8, with lower charge than for the [Hg( S -Cys) 4 ] 6- complex due to protonation of some ( m ) of the amino groups of the coordinated cysteine ligands. The results of this investigation could provide a key to the mechanism of biosorption and accumulation of Hg(II) ions in biological / environmental systems.

  10. Structural Insights into Clostridium perfringens Delta Toxin Pore Formation.

    Directory of Open Access Journals (Sweden)

    Jessica Huyet

    Full Text Available Clostridium perfringens Delta toxin is one of the three hemolysin-like proteins produced by C. perfringens type C and possibly type B strains. One of the others, NetB, has been shown to be the major cause of Avian Nectrotic Enteritis, which following the reduction in use of antibiotics as growth promoters, has become an emerging disease of industrial poultry. Delta toxin itself is cytotoxic to the wide range of human and animal macrophages and platelets that present GM2 ganglioside on their membranes. It has sequence similarity with Staphylococcus aureus β-pore forming toxins and is expected to heptamerize and form pores in the lipid bilayer of host cell membranes. Nevertheless, its exact mode of action remains undetermined. Here we report the 2.4 Å crystal structure of monomeric Delta toxin. The superposition of this structure with the structure of the phospholipid-bound F component of S. aureus leucocidin (LukF revealed that the glycerol molecules bound to Delta toxin and the phospholipids in LukF are accommodated in the same hydrophobic clefts, corresponding to where the toxin is expected to latch onto the membrane, though the binding sites show significant differences. From structure-based sequence alignment with the known structure of staphylococcal α-hemolysin, a model of the Delta toxin pore form has been built. Using electron microscopy, we have validated our model and characterized the Delta toxin pore on liposomes. These results highlight both similarities and differences in the mechanism of Delta toxin (and by extension NetB cytotoxicity from that of the staphylococcal pore-forming toxins.

  11. Structure-preserving algorithms for oscillatory differential equations II

    CERN Document Server

    Wu, Xinyuan; Shi, Wei

    2015-01-01

    This book describes a variety of highly effective and efficient structure-preserving algorithms for second-order oscillatory differential equations. Such systems arise in many branches of science and engineering, and the examples in the book include systems from quantum physics, celestial mechanics and electronics. To accurately simulate the true behavior of such systems, a numerical algorithm must preserve as much as possible their key structural properties: time-reversibility, oscillation, symplecticity, and energy and momentum conservation. The book describes novel advances in RKN methods, ERKN methods, Filon-type asymptotic methods, AVF methods, and trigonometric Fourier collocation methods.  The accuracy and efficiency of each of these algorithms are tested via careful numerical simulations, and their structure-preserving properties are rigorously established by theoretical analysis. The book also gives insights into the practical implementation of the methods. This book is intended for engineers and sc...

  12. Poverty and Family Structure - Phase II | CRDI - Centre de ...

    International Development Research Centre (IDRC) Digital Library (Canada)

    Understanding the dynamics of change in family structure is critical in poverty diagnosis, particularly in the context of current global economic and financial crises. The first of three panel surveys was carried out under project 102303. This grant will support the second. Researchers will endeavor to interview all individuals ...

  13. Structural equations for Killing tensors of order two. II

    International Nuclear Information System (INIS)

    Hauser, I.; Malhiot, R.J.

    1975-01-01

    In a preceding paper, a new form of the structural equations for any Killing tensor of order two have been derived; these equations constitute a system analogous to the Killing vector equations Nabla/sub alpha/ K/sub beta/ = ω/sub alpha beta/ = -ω/sub beta alpha/ and Nabla/sub gamma/ ω/sub alpha beta = R/sub alpha beta gamma delta/ K/sup delta/. The first integrability condition for the Killing tensor structural equations is now derived. The structural equations and the integrability condition have forms which can readily be expressed in terms of a null tetrad to furnish a Killing tensor parallel of the Newman--Penrose equations; this is briefly described. The integrability condition implies the new result, for any given space--time, that the dimension of the set of second-order Killing tensors attains its maximum possible value of 50 only if the space--time is of constant curvature. Potential applications of the structural equations are discussed

  14. Syntheses, structures and luminescence behaviour of some zinc (II ...

    Indian Academy of Sciences (India)

    ... cooperative intermolecular O-H⋯O and C-H⋯F hydrogen bonds affording a 1D chain. The individual units of 2 are packed by ⋯ and anion⋯ interactions to form a 2D sheet structure. The complexes show reasonable thermal stabilities and display intraligand → ∗ fluorescence in solid state at room temperature.

  15. Molecular structure and DFT investigations on new cobalt(II ...

    Indian Academy of Sciences (India)

    and the new [Co(btmgn)Cl2] complex were charac- terized using different spectroscopic techniques. The. X-ray structure of the [Co(btmgn)Cl2] complex is deter- mined. The electronic and spectroscopic aspects of the ligands as well as the [Co(btmgn)Cl2] were discussed with the aid of DFT quantum chemical calculations.

  16. The crystal structure of the phosphatidylinositol 4-kinase II alpha

    Czech Academy of Sciences Publication Activity Database

    Bäumlová, Adriana; Chalupská, Dominika; Rozycki, B.; Jovic, M.; Wisniewski, E.; Klíma, Martin; Dubánková, Anna; Kloer, D. P.; Nencka, Radim; Balla, T.; Bouřa, Evžen

    2014-01-01

    Roč. 15, č. 10 (2014), s. 1085-1092 ISSN 1469-221X R&D Projects: GA MŠk LO1302 EU Projects: European Commission(XE) 333916 - STARPI4K Institutional support: RVO:61388963 Keywords : crystal structure * kinase * membrane * Monte Carlo simulations * phosphatidyl inositol Subject RIV: CE - Biochemistry Impact factor: 9.055, year: 2014

  17. Submarine slope failures due to pipe structure formation.

    Science.gov (United States)

    Elger, Judith; Berndt, Christian; Rüpke, Lars; Krastel, Sebastian; Gross, Felix; Geissler, Wolfram H

    2018-02-19

    There is a strong spatial correlation between submarine slope failures and the occurrence of gas hydrates. This has been attributed to the dynamic nature of gas hydrate systems and the potential reduction of slope stability due to bottom water warming or sea level drop. However, 30 years of research into this process found no solid supporting evidence. Here we present new reflection seismic data from the Arctic Ocean and numerical modelling results supporting a different link between hydrates and slope stability. Hydrates reduce sediment permeability and cause build-up of overpressure at the base of the gas hydrate stability zone. Resulting hydro-fracturing forms pipe structures as pathways for overpressured fluids to migrate upward. Where these pipe structures reach shallow permeable beds, this overpressure transfers laterally and destabilises the slope. This process reconciles the spatial correlation of submarine landslides and gas hydrate, and it is independent of environmental change and water depth.

  18. Formation of nanoscale tungsten oxide structures and colouration ...

    Indian Academy of Sciences (India)

    for reducing gas pollutants (NH3, H2S, NOx etc). Also, it was shown that a minimal inclusion of TiO2 into WO3−x. (0< x<1) can help in suppressing recombination of photo- generated carriers, thus inducing reversible colouration phe- nomena (He et al 2002). However, pH dependent structural evolution aspect of this system ...

  19. An evolutionary model for collapsing molecular clouds and their star formation activity. II. Mass dependence of the star formation rate

    Energy Technology Data Exchange (ETDEWEB)

    Zamora-Avilés, Manuel; Vázquez-Semadeni, Enrique [Centro de Radioastronomía y Astrofísica, Universidad Nacional Autónoma de México, Apdo. Postal 3-72, Morelia, Michoacán 58089 (Mexico)

    2014-10-01

    We discuss the evolution and dependence on cloud mass of the star formation rate (SFR) and efficiency (SFE) of star-forming molecular clouds (MCs) within the scenario that clouds are undergoing global collapse and that the SFR is controlled by ionization feedback. We find that low-mass clouds (M {sub max} ≲ 10{sup 4} M {sub ☉}) spend most of their evolution at low SFRs, but end their lives with a mini-burst, reaching a peak SFR ∼10{sup 4} M {sub ☉} Myr{sup –1}, although their time-averaged SFR is only (SFR) ∼ 10{sup 2} M {sub ☉} Myr{sup –1}. The corresponding efficiencies are SFE{sub final} ≲ 60% and (SFE) ≲ 1%. For more massive clouds (M {sub max} ≳ 10{sup 5} M {sub ☉}), the SFR first increases and then reaches a plateau because the clouds are influenced by stellar feedback since earlier in their evolution. As a function of cloud mass, (SFR) and (SFE) are well represented by the fits (SFR) ≈ 100(1 + M {sub max}/1.4 × 10{sup 5} M {sub ☉}){sup 1.68} M {sub ☉} Myr{sup –1} and (SFE) ≈ 0.03(M {sub max}/2.5 × 10{sup 5} M {sub ☉}){sup 0.33}, respectively. Moreover, the SFR of our model clouds follows closely the SFR-dense gas mass relation recently found by Lada et al. during the epoch when their instantaneous SFEs are comparable to those of the clouds considered by those authors. Collectively, a Monte Carlo integration of the model-predicted SFR(M) over a Galactic giant molecular cloud mass spectrum yields values for the total Galactic SFR that are within half an order of magnitude of the relation obtained by Gao and Solomon. Our results support the scenario that star-forming MCs may be in global gravitational collapse and that the low observed values of the SFR and SFE are a result of the interruption of each SF episode, caused primarily by the ionizing feedback from massive stars.

  20. Structural studies on a non-toxic homologue of type II RIPs from ...

    Indian Academy of Sciences (India)

    Structural studies on a non-toxic homologue of type II RIPs from bitter gourd: Molecular basis of non-toxicity, conformational selection and glycan structure. MS accepted http://www.ias.ac.in/jbiosci. THYAGESHWAR CHANDRAN, ALOK SHARMA and M VIJAYAN. J. Biosci. 40(5), October 2015, 929–941, © Indian Academy of ...

  1. Coupled and extended quintessence: Theoretical differences and structure formation

    International Nuclear Information System (INIS)

    Pettorino, Valeria; Baccigalupi, Carlo

    2008-01-01

    The case of a coupling between dark energy and matter [coupled quintessence (CQ)] or gravity [extended quintessence (EQ)] has recently attracted a deep interest and has been widely investigated both in the Einstein and in the Jordan frames (EF, JF), within scalar-tensor theories. Focusing on the simplest models proposed so far, in this paper we study the relation existing between the two scenarios, isolating the Weyl scaling which allows one to express them in the EF and JF. Moreover, we perform a comparative study of the behavior of linear perturbations in both scenarios, which turn out to behave in a markedly different way. In particular, while the clustering is enhanced in the considered CQ models with respect to the corresponding quintessence ones where the coupling is absent and to the ordinary cosmologies with a cosmological constant and cold dark matter (ΛCDM), structures in EQ models may grow slower. This is likely to have direct consequences on the inner properties of nonlinear structures, like cluster concentration, as well as on the weak lensing shear on large scales. Finally, we specialize our study for interfacing linear dynamics and N-body simulations in these cosmologies, giving a recipe for the corrections to be included in N-body codes in order to take into account the modifications to the expansion rate, growth of structures, and strength of gravity

  2. I. Structural studies of termite defense secretions. II. Structural studies of natural products of marine nudibranchs. [Kempene, tridachione

    Energy Technology Data Exchange (ETDEWEB)

    Solheim, B.A.

    1977-12-01

    Three families of termites have the ability to produce a sticky secretion that envelopes and immobilizes the enemy. In the family Termitidae the secretion contains the diterpenoid hydrocarbons, kempene I and kempene II. The molecular structure of kempene II from the termite, Nasutitermes kempae, is described in detail. Another species of termite, Cubitermes umbratus, contained the diterpenoid hydrocarbon biflora-4,10-19,15-triene in the secretion and this compound is described. Studies were also conducted on the mucous secretion of the pedal gland of the marine nudibranch, Tidachiella diomedea. Tridachione, a substituted ..gamma..-pyrone, was isolated in the pure state and its molecular structure is described in detail. (HLW)

  3. The formation of the Mg II resonance lines in the solar atmosphere

    International Nuclear Information System (INIS)

    Greve, A.

    1978-01-01

    Synthetic LTE profiles, calculated for the HSRA, VAL, and the so-called 'Ca II and Mg II' model atmospheres introduced by Ayres and Linsky, are compared with the Mg II profiles (2760 A < approximately lambda < approximately 2820 A) of the average quiet Sun observed at μ = 1.0, 0.6 and 0.43. As a prerequisite for calculating profiles, for each model atmosphere the author derives empirically the total opacity as function of the height so that the continuum intensity and limb darkening observed at lambda 2660 A and lambda 2940 A is reproduced. For each model atmosphere the most appropriate value of Aγ* (A: abundance of Mg, γ*: multiplying factor applied to the collisional broadening calculated from Unsold's expression) is derived from the best fit of the calculated profiles and the central parts of the profiles observed at μ = 1.0 and 0.6. These values Aγ* reproduce the far wings of the Mg II flux profile. The comparison of the computed profiles and the observed profiles indicates that none of the one-component, static model atmospheres of the average quiet Sun reproduces the central parts of the Mg II profiles in their centre to limb variation. The proposal by Ayres and Linsky of higher minimum temperatures is not supported by our observations. (Auth.)

  4. Canine hippocampal formation composited into three-dimensional structure using MPRAGE.

    Science.gov (United States)

    Jung, Mi-Ae; Nahm, Sang-Soep; Lee, Min-Su; Lee, In-Hye; Lee, Ah-Ra; Jang, Dong-Pyo; Kim, Young-Bo; Cho, Zang-Hee; Eom, Ki-Dong

    2010-07-01

    This study was performed to anatomically illustrate the living canine hippocampal formation in three-dimensions (3D), and to evaluate its relationship to surrounding brain structures. Three normal beagle dogs were scanned on a MR scanner with inversion recovery segmented 3D gradient echo sequence (known as MP-RAGE: Magnetization Prepared Rapid Gradient Echo). The MRI data was manually segmented and reconstructed into a 3D model using the 3D slicer software tool. From the 3D model, the spatial relationships between hippocampal formation and surrounding structures were evaluated. With the increased spatial resolution and contrast of the MPRAGE, the canine hippocampal formation was easily depicted. The reconstructed 3D image allows easy understanding of the hippocampal contour and demonstrates the structural relationship of the hippocampal formation to surrounding structures in vivo.

  5. Crystal structure of cis-tetraaquadichloridocobalt(II sulfolane disolvate

    Directory of Open Access Journals (Sweden)

    Mhamed Boudraa

    2015-02-01

    Full Text Available In the title compound, [CoCl2(H2O4]·2C4H8SO2, the CoII cation is located on the twofold rotation axis and is coordinated by four water molecules and two adjacent chloride ligands in a slightly distorted octahedral coordination environment. The cisoid angles are in the range 83.27 (5–99.66 (2°. The three transoid angles deviate significantly from the ideal linear angle. The crystal packing can be described as a linear arrangement of complex units along c formed by bifurcated O—H...Cl hydrogen bonds between two water molecules from one complex unit towards one chloride ligand of the neighbouring complex. Two solvent molecules per complex are attached to this infinite chain via O—H...O hydrogen bonds in which water molecules act as the hydrogen-bond donor and sulfolane O atoms as the hydrogen-bond acceptor sites.

  6. Syntheses, structures and photoelectric properties of a series of Cd(II)/Zn(II) coordination polymers and coordination supramolecules

    International Nuclear Information System (INIS)

    Jin Jing; Han Xiao; Meng Qin; Li Dan; Chi Yuxian; Niu Shuyun

    2013-01-01

    Five Cd(II)/Zn(II) complexes [Cd(1,2-bdc)(pz) 2 (H 2 O)] n (1), [Cd1Cd2(btec)(H 2 O) 6 ] n (2), [Cd(3,4-pdc) (H 2 O)] n (3), [Zn(2,5-pdc)(H 2 O) 4 ]·2H 2 O (4) and { [Zn(2,5-pdc)(H 2 O) 2 ]·H 2 O} n (5) (H 2 bdc=1,2-benzenedicarboxylic acid, pz=pyrazole, H 4 btec=1,2,4,5-benzenetetracarboxylic acid, H 2 pdc=pyridine-dicarboxylic acid) were hydrothermally synthesized and characterized by single-crystal X-ray diffraction, surface photovoltage spectroscopy, XRD, TG analysis, IR and UV–vis spectra and elemental analysis. Structural analyses show that complexes 1–3 are 1D, 2D and 3D Cd(II) coordination polymers, respectively. Complex 4 is a mononuclear Zn(II) complex. Complex 5 is a 3D Zn(II) coordination polymer. The surface photoelectric properties of complexes were investigated by SPS. The results indicate that all complexes exhibit photoelectric responses in the range of 300–600 nm, which reveals that they all possess certain photoelectric conversion properties. By the comparative analyses, it can be found that the species and coordination micro-environment of central metal ion, the species and property of ligands affect the intensity and scope of photoelectric response. - Graphical abstract: Five Cd(II)/Zn(II) complexes have been hydrothermally synthesized and characterized. The photoelectric properties were studied with SPS. The species and coordination micro-environment of central metal ion, the species and property of ligands all affect the photoelectric responses. Highlights: ► Five Cd/Zn complexes have been synthesized and characterized. ► The SPS results indicate they possess obvious photoelectric conversion property. ► The species and coordination environment of central metal ion affect SPS. ► The species and property of ligands affect SPS. ► By the energy-band theory and the crystal filed theory, the SPS are analyzed and assigned.

  7. Spectrophotometric Determination of Metoprolol Tartrate in Pharmaceutical Dosage Forms on Complex Formation with Cu(II

    Directory of Open Access Journals (Sweden)

    Mustafa Cesme

    2011-06-01

    Full Text Available A new, simple, sensitive and accurate spectrophotometric method has been developed for the assay of metoprolol tartrate (MPT, which is based on the complexation of drug with copper(II [Cu(II] at pH 6.0, using Britton-Robinson buffer solution, to produce a blue adduct. The latter has a maximum absorbance at 675 nm and obeys Beer’s law within the concentration range 8.5-70 mg/mL. Regression analysis of the calibration data showed a good correlation coefficient (r = 0.998 with a limit of detection of 5.56 mg/mL. The proposed procedure has been successfully applied to the determination of this drug in its tablets. In addition, the spectral data and stability constant for the binuclear copper(II complex of MPT (Cu2MPT2Cl2 have been reported.

  8. EFFECTS OF AUSTENITIZATION ON STRUCTURE FORMATION СHROMO-MOLYBDENUM-VANADIUM STEEL AFTER HIGH TEMPERING

    Directory of Open Access Journals (Sweden)

    V. A. Lutsenko

    2017-01-01

    Full Text Available Influence of austenitization temperature of chrome-molybdenum-vanadium steel on structure formation at the softening heat treatment is studied. It is shown that the decline of the austenitization temperature promotes to reduce the micro-hardness values due to the intensification of spheroidizing of pearlite after the overcooling and high tempering. Increasing the austenitization temperature leads to formation of an uneven structure after tempering.

  9. Dimers on surface graphs and spin structures. II

    DEFF Research Database (Denmark)

    Cimasoni, David; Reshetikhin, Nicolai

    2009-01-01

    In a previous paper [3], we showed how certain orientations of the edges of a graph Γ embedded in a closed oriented surface Σ can be understood as discrete spin structures on Σ. We then used this correspondence to give a geometric proof of the Pfaffian formula for the partition function of the di......In a previous paper [3], we showed how certain orientations of the edges of a graph Γ embedded in a closed oriented surface Σ can be understood as discrete spin structures on Σ. We then used this correspondence to give a geometric proof of the Pfaffian formula for the partition function...... model as a quantum field theory on surface graphs....

  10. Ideal triangulations of 3-manifolds II: taut and angle structures

    OpenAIRE

    Kang, Ensil; Rubinstein, J. Hyam

    2005-01-01

    This is the second in a series of papers in which we investigate ideal triangulations of the interiors of compact 3-manifolds with tori or Klein bottle boundaries. Such triangulations have been used with great effect, following the pioneering work of Thurston. Ideal triangulations are the basis of the computer program SNAPPEA of Weeks and the program SNAP of Coulson, Goodman, Hodgson and Neumann. Casson has also written a program to find hyperbolic structures on such 3-manifolds, by solving T...

  11. Copper(II) complexes of salicylaldehyde hydrazones: synthesis, structure, and DNA interaction.

    Science.gov (United States)

    Wu, La-Mei; Teng, Han-Bing; Ke, Xian-Bing; Xu, Wen-Jin; Su, Jiang-Tao; Liang, Shu-Cai; Hu, Xian-Ming

    2007-09-01

    Three hydrazone ligands, H2L1-H2L3, made from salicylaldehyde and ibuprofen- or naproxen-derived hydrazides, were prepared and transformed into the corresponding copper(II) complexes [Cu(II)L1] x H2O, [Cu(II)L2], and [(Cu(II))2(L3)2] x H2O x DMF (Scheme). The X-ray crystal structure of the last-mentioned complex was solved (Fig. 1), showing a square-planar complexation geometry, and the single units were found to form a one-dimensional chain structure (Fig. 2). The interactions of these complexes with CT-DNA were studied by different techniques, indicating that they all bind to DNA by classical and/or non-classical intercalation modes.

  12. Crystal structure of lead(II tartrate: a redetermination

    Directory of Open Access Journals (Sweden)

    Matthias Weil

    2015-01-01

    Full Text Available Single crystals of poly[μ4-tartrato-κ6O1,O3:O1′:O2,O4:O4′-lead], [Pb(C4H4O6]n, were grown in a gel medium. In comparison with the previous structure determination of this compound from laboratory powder X-ray diffraction data [De Ridder et al. (2002. Acta Cryst. C58, m596–m598], the redetermination on the basis of single-crystal data reveals the absolute structure, all atoms with anisotropic displacement parameters and a much higher accuracy in terms of bond lengths and angles. It could be shown that a different space group or incorporation of water as reported for similarly gel-grown lead tartrate crystals is incorrect. In the structure, each Pb2+ cation is bonded to eight O atoms of five tartrate anions, while each tartrate anion links four Pb2+ cations. The resulting three-dimensional framework is stabilized by O—H...O hydrogen bonds between the OH groups of one tartrate anion and the carboxylate O atoms of adjacent anions.

  13. Autonomous Supervisory Engine for Multi-Spacecraft Formation Flying, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — The overall goal of this project is to develop an onboard, autonomous Multi-spacecraft Supervisory Engine (MSE) for formation-flying guidance, navigation and control...

  14. Distributed Formation State Estimation Algorithms Under Resource and Multi-Tasking Constraints, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Recent work on distributed multi-spacecraft systems has resulted in a number of architectures and algorithms for accurate estimation of spacecraft and formation...

  15. riggered star-formation in the NGC 7538 H II region

    Science.gov (United States)

    Sharma, Saurabh; Pandey, Anil Kumar; Pandey, Rakesh; Sinha, Tirthendu

    2018-04-01

    We have generated a catalog of young stellar objects (YSOs) in the star forming region NGC 7538 using Ha and X-ray data. The spatial distribution of YSOs along with MIR, radio and CO emission are used to study the star formation process in the region. Our analysis shows that the 03V type high mass star 'IRS 6' might have triggered the formation of young low mass stars up to a radial distance of 3 pc.

  16. Formation and structural properties of multi-block copolymer vesicles

    Science.gov (United States)

    Wang, Rong; Ma, Shiying

    2014-03-01

    Due to the unique structure, vesicles have attracted considerable attention for their potential applications, such as gene and drug delivery, microcapsules, nanoreactors, cell membrane mimetic, synthetic organelles, etc. By using dissipative particle dynamics, we studied the self-assembly of amphiphilic multi-block copolymer. The phase diagram was constructed by varying the interaction parameters and the composition of the block copolymers. The results show that the vesicles are stable in a large region which is different from the diblock copolymer or triblock copolymer. The structural properties of vesicles can be controlled by varying the interaction parameters and the length of the hydrophobic block. The relationship between the hydrophilic and hydrophobic block length vs the aqueous cavity size and vesicle size are revealed. The copolymers with shorter hydrophobic blocks length or the higher hydrophilicity are more likely to form vesicles with larger aqueous cavity size and vesicle size as well as thinner wall thickness. However, the increase in hydrophobic-block length results to form vesicles with smaller aqueous cavity size and larger vesicle size. Acknowledgments. This work has been supported by NNSFC (No. 21074053) and NBRPC (No. 2010CB923303).

  17. Structures in the Universe by Exact Methods: Formation, Evolution, Interactions

    Science.gov (United States)

    Bolejko, Krzysztof; Krasiński, Andrzej; Hellaby, Charles; Célérier, Marie-Noëlle

    2009-10-01

    As the structures in our Universe are mapped out on ever larger scales, and with increasing detail, the use of inhomogeneous models is becoming an essential tool for analyzing and understanding them. This book reviews a number of important developments in the application of inhomogeneous solutions of Einstein's field equations to cosmology. It shows how inhomogeneous models can be employed to study the evolution of structures such as galaxy clusters and galaxies with central black holes, and to account for cosmological observations like supernovae dimming, the cosmic microwave background, baryon acoustic oscillations or the dependence of the Hubble parameter on redshift within classical general relativity. Whatever 'dark matter' and 'dark energy' turn out to be, inhomogeneities exist on many scales and need to be investigated with all appropriate methods. This book is of great value to all astrophysicists and researchers working in cosmology, from graduate students to academic researchers. - Presents inhomogeneous cosmological models, allowing readers to familiarise themselves with basic properties of these models - Shows how inhomogeneous models can be used to analyse cosmological observations such as supernovae, cosmic microwave background, and baryon acoustic oscillations - Reviews important developments in the application of inhomogeneous solutions of Einstein's field equations to cosmology

  18. Type-II Quantum Dot Nanowire Structures with Large Oscillator Strengths for Optical Quantum Gating Applications

    DEFF Research Database (Denmark)

    Taherkhani, Masoomeh; Gregersen, Niels; Willatzen, Morten

    2017-01-01

    The exciton oscillator strength (OS) in type-II quantum dot (QD) nanowires is calculated by using a fast and efficient method. We propose a new structure in Double-Well QD (DWQD) nanowire that considerably increases OS of type-II QDs which is a key parameter in optical quantum gating in the stimu...... in the stimulated Raman adiabatic passage (STIRAP) process [1] for implementing quantum gates....

  19. Structural, thermal, biological and semiconducting properties of Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and VO(IV) complexes of Schiff base derived from resdiacetophenone and S-benzyldithiocarbazate

    International Nuclear Information System (INIS)

    Makode, J.T.; Bhadange, S.G.; Aswar, A.S.

    2003-01-01

    A series of Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II) and VO(IV) complexes with Schiff base derived from resdiacetophenone and S-benzyldithiocarbazate have been synthesized and characterized by elemental analysis, magnetic moment, IR and electronic spectral studies and thermal analysis. The Schiff base functions as a binucleating tridentate chelating agent and coordinates via the deprotonated phenolic oxygen, azomethine nitrogen and thioenolate sulphur atoms to the metal ion favouring the formation of bimetallic complexes. From dynamic TG data, activation energy and other kinetic parameters have been computed using Freeman-Carroll-Wentworth and Coats-Redfern methods. Electrical conductivity of the complexes have also been studied between 313-473 in pellet forms and the complexes are found to exhibit semiconducting behaviour. The antimicrobial activity of the ligand and its complexes have been screened against various microorganisms and all of them found to be moderately active against the organisms. (author)

  20. CHARACTERIZATION OF THE FORMATION OF FILTER PAPER USING THE BARTLETT SPECTRUM OF THE FIBER STRUCTURE

    Directory of Open Access Journals (Sweden)

    Martin Lehmann

    2013-06-01

    Full Text Available The formation index of filter paper is one of the most important characteristics used in industrial quality control. Its estimation is often based on subjective comparison chart rating or, even more objective, on the power spectrum of the paper structure observed on a transmission light table. It is shown that paper formation can be modeled as Gaussian random fields with a well defined class of correlation functions, and a formation index can be derived from the density of the Bartlett spectrum estimated from image data. More precisely, the formation index is the mean of the Bessel transform of the correlation taken for wave lengths between 2 and 5 mm.

  1. Preheating after multifield inflation with nonminimal couplings. II. Resonance structure

    Science.gov (United States)

    DeCross, Matthew P.; Kaiser, David I.; Prabhu, Anirudh; Prescod-Weinstein, Chanda; Sfakianakis, Evangelos I.

    2018-01-01

    This is the second in a series of papers on preheating in inflationary models comprised of multiple scalar fields coupled nonminimally to gravity. In this paper, we work in the rigid-spacetime approximation and consider field trajectories within the single-field attractor, which is a generic feature of these models. We construct the Floquet charts to find regions of parameter space in which particle production is efficient for both the adiabatic and isocurvature modes, and analyze the resonance structure using analytic and semianalytic techniques. Particle production in the adiabatic direction is characterized by the existence of an asymptotic scaling solution at large values of the nonminimal couplings, ξI≫1 , in which the dominant instability band arises in the long-wavelength limit, for comoving wave numbers k →0 . However, the large-ξI regime is not reached until ξI≥O (100 ). In the intermediate regime, with ξI˜O (1 - 10 ) , the resonance structure depends strongly on wave number and couplings. The resonance structure for isocurvature perturbations is distinct and more complicated than its adiabatic counterpart. An intermediate regime, for ξI˜O (1 - 10 ) , is again evident. For large values of ξI, the Floquet chart consists of densely spaced, nearly parallel instability bands, suggesting a very efficient preheating behavior. The increased efficiency arises from features of the nontrivial field-space manifold in the Einstein frame, which itself arises from the fields' nonminimal couplings in the Jordan frame, and has no analog in models with minimal couplings. Quantitatively, the approach to the large-ξI asymptotic solution for isocurvature modes is slower than in the case of the adiabatic modes.

  2. Structural evolution of Lake Superior II: Eastern basin

    Energy Technology Data Exchange (ETDEWEB)

    Reynolds, D.J. (Lamont Doherty Geological Observatory, Palisades, NY (United States)); Coakley, B.J.; Wang, H.F. (Univ. of Wisconsin, Madison, WI (United States). Dept. of Geology and Geophysics)

    1992-01-01

    The authors have interpreted 1,400 km of industry and government multichannel seismic reflection data from eastern Lake Superior. Seismic sequences have been identified by using reflection character and reflector terminations and truncations. This framework, coupled with outcrop information, has allowed them to assign lithologic units to some of these reflectors and reconstruct the timing and geometry of structures within the basin. The authors have mapped the Base Jacobsville-Bayfield Group/Top oronto Group, Base oronto Group/Top Keweenawan volcanics, and Basement as well as several reflectors internal to these groups. Integration of gravity and magnetic data with the seismic grid permits regional mapping of faults and folds between seismic lines. In the eastern part of the basin, high-angle basement-involved reverse faults, such as the southeastern combination of the Keweenaw fault, trend NNW-SSE, while broad folds trend E-W. The Keweenaw fault is a complex structural zone and, in the Manitou Island region, steeply-dipping reflectors with abrupt dip reversals indicate a transpressive flower structure. Reactivation of the Keweenaw fault along the southern margin of the basin has rotated and uplifted the basin fill. This region is where the unconformity on top of the Oronto Group is best developed and shows that much of the compressive motion on this fault system occurred post-Oronto and syn-Jacobsville as the top of Jacobsville Group reflector is only slightly deformed. The stratal relationships seen in the seismic data suggest that compressive deformation was synchronous with Oronto and early Jacobsville deposition.

  3. Dirhodium(II) carboxylate catalyzed formation of 1,2,3-trisubstituted indoles from styryl azides.

    Science.gov (United States)

    Jones, Crystalann; Nguyen, Quyen; Driver, Tom G

    2014-01-13

    Dirhodium(II)-carboxylate complexes were discovered to promote the selective migration of acyl groups in trisubstituted styryl azides to form 1,2,3-trisubstituted indoles. The styryl azides are readily available in three steps from cyclobutanone and 2-iodoaniline. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Thermal partial vortex depinning and channel formation in type-II superconductors

    Czech Academy of Sciences Publication Activity Database

    Zablotskyy, Vitaliy A.

    2001-01-01

    Roč. 14, - (2001), s. L25-L30 ISSN 0953-2048 R&D Projects: GA AV ČR IAA1010919 Institutional research plan: CEZ:A02/98:Z1-010-914 Keywords : type-II superconductor s * flux pinning model Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.511, year: 2001

  5. Mechanisms underlying reductant-induced reactive oxygen species formation by anticancer copper(II) compounds.

    Science.gov (United States)

    Kowol, Christian R; Heffeter, Petra; Miklos, Walter; Gille, Lars; Trondl, Robert; Cappellacci, Loredana; Berger, Walter; Keppler, Bernhard K

    2012-03-01

    Intracellular generation of reactive oxygen species (ROS) via thiol-mediated reduction of copper(II) to copper(I) has been assumed as the major mechanism underlying the anticancer activity of copper(II) complexes. The aim of this study was to compare the anticancer potential of copper(II) complexes of Triapine (3-aminopyridine-2-carboxaldehyde thiosemicarbazone; currently in phase II clinical trials) and its terminally dimethylated derivative with that of 2-formylpyridine thiosemicarbazone and that of 2,2'-bipyridyl-6-carbothioamide. Experiments on generation of oxidative stress and the influence of biologically relevant reductants (glutathione, ascorbic acid) on the anticancer activity of the copper complexes revealed that reductant-dependent redox cycling occurred mainly outside the cells, leading to generation and dismutation of superoxide radicals resulting in cytotoxic amounts of H(2)O(2). However, without extracellular reductants only weak intracellular ROS generation was observed at IC(50) levels, suggesting that cellular thiols are not involved in copper-complex-induced oxidative stress. Taken together, thiol-induced intracellular ROS generation might contribute to the anticancer activity of copper thiosemicarbazone complexes but is not the determining factor.

  6. Copper(II) complex as a precursor for formation of cyano-bridged ...

    Indian Academy of Sciences (India)

    chemsci

    Sample Magnetometer (VSM) system 7400. Synthesis safety note! Perchlorate salts of metal complexes with organic ligands are potentially explosive and should be handled with great caution. 2.2 Synthesis of [CuL(ClO4)2] (1). To a stirred solution of copper(II) chloride dihydrate. (0.171 g, 1 mmol) and ethylenediamine (2 ...

  7. Inhibition of Methane Hydrate Formation by Ice-Structuring Proteins

    DEFF Research Database (Denmark)

    Jensen, Lars; Ramløv, Hans; Thomsen, Kaj

    2010-01-01

    , assumed biodegradable, are capable of inhibiting the growth of methane hydrate (a structure I hydrate). The ISPs investigated were type III HPLC12 (originally identified in ocean pout) and ISP type III found in meal worm (Tenebrio molitor). These were compared to polyvinylpyrrolidone (PVP) a well......-known kinetic hydrate inhibitor. The results revealed that adding ISP in sufficient amounts caused the appearance of an initial nonlinear growth period. At a certain point during the growth process the growth pattern changed to linear which is identical to the growth observed for methane hydrate in the absence...... of inhibitors. The profile of the nonlinear growth was concentration-dependent but also dependent on the stirring rate. ISP type III HPLC12 decreased the growth rate of methane hydrate during the linear growth period by 17−75% at concentrations of 0.01−0.1 wt % (0.014−0.14 mM) while ISP from Tenebrio molitor...

  8. Formation of 2D nanoparticles with block structure in simultaneous electric explosion of conductors

    Energy Technology Data Exchange (ETDEWEB)

    Kryzhevich, Dmitrij S., E-mail: kryzhev@ispms.ru, E-mail: kost@ispms.ru; Zolnikov, Konstantin P., E-mail: kryzhev@ispms.ru, E-mail: kost@ispms.ru [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 6340455, Russia and National Research Tomsk State University, Tomsk, 634050 (Russian Federation); Abdrashitov, Andrei V. [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 6340455 (Russian Federation); Lerner, Marat I. [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 6340455, Russia and National Research Tomsk Polytechnic University, Tomsk, 634050 (Russian Federation); Psakhie, Sergey G. [Institute of Strength Physics and Materials Science SB RAS, Tomsk, 6340455 (Russian Federation); National Research Tomsk Polytechnic University, Tomsk, 634050 (Russian Federation); Skolkovo Institute of Science and Technology, Skolkovo, 143025 (Russian Federation)

    2014-11-14

    A molecular dynamics simulation of nanoparticle formation in simultaneous electric explosion of conductors is performed. Interatomic interaction is described using potentials calculated in the framework of the embedded atom method. High-rate heating results in failure of the conductors with the formation of nanoparticles. The influence of the heating rate, temperature distribution over the specimen cross-section and the distance between simultaneously exploded conductors on the structure of formed nanoparticles is studied. The calculation results show that the electric explosion of conductors allows the formation of nanoparticles with block structure.

  9. Structural modification of silicon during the formation process of porous silicon

    International Nuclear Information System (INIS)

    Martin-Palma, R.J.; Pascual, L.; Landa-Canovas, A.R.; Herrero, P.; Martinez-Duart, J.M.

    2005-01-01

    Direct examination of porous silicon (PS) by the use of high resolution transmission electron microscopy (HRTEM) allowed us to perform a deep insight into the formation mechanisms of this material. In particular, the structure of the PS/Si interface and that of the silicon nanocrystals that compose porous silicon were analyzed in detail. Furthermore, image processing was used to study in detail the structure of PS. The mechanism of PS formation and lattice matching between the PS layer and the Si substrate is analyzed and discussed. Finally, a formation mechanism for PS based on the experimental observations is proposed

  10. Exogenous surfactant application in a rat lung ischemia reperfusion injury model: effects on edema formation and alveolar type II cells

    Directory of Open Access Journals (Sweden)

    Richter Joachim

    2008-01-01

    Full Text Available Abstract Background Prophylactic exogenous surfactant therapy is a promising way to attenuate the ischemia and reperfusion (I/R injury associated with lung transplantation and thereby to decrease the clinical occurrence of acute lung injury and acute respiratory distress syndrome. However, there is little information on the mode by which exogenous surfactant attenuates I/R injury of the lung. We hypothesized that exogenous surfactant may act by limiting pulmonary edema formation and by enhancing alveolar type II cell and lamellar body preservation. Therefore, we investigated the effect of exogenous surfactant therapy on the formation of pulmonary edema in different lung compartments and on the ultrastructure of the surfactant producing alveolar epithelial type II cells. Methods Rats were randomly assigned to a control, Celsior (CE or Celsior + surfactant (CE+S group (n = 5 each. In both Celsior groups, the lungs were flush-perfused with Celsior and subsequently exposed to 4 h of extracorporeal ischemia at 4°C and 50 min of reperfusion at 37°C. The CE+S group received an intratracheal bolus of a modified natural bovine surfactant at a dosage of 50 mg/kg body weight before flush perfusion. After reperfusion (Celsior groups or immediately after sacrifice (Control, the lungs were fixed by vascular perfusion and processed for light and electron microscopy. Stereology was used to quantify edematous changes as well as alterations of the alveolar epithelial type II cells. Results Surfactant treatment decreased the intraalveolar edema formation (mean (coefficient of variation: CE: 160 mm3 (0.61 vs. CE+S: 4 mm3 (0.75; p 3 (0.90 vs. CE+S: 0 mm3; p 3 (0.39 vs. CE+S: 268 mm3 (0.43; p 3(0.10 and CE+S (481 μm3(0.10 compared with controls (323 μm3(0.07; p Conclusion Intratracheal surfactant application before I/R significantly reduces the intraalveolar edema formation and development of atelectases but leads to an increased development of

  11. Study of complex formation of cobalt (II) and cobalt (III) in acrylamide aqueous solutions and in the phase of acrylamide hydrogel

    International Nuclear Information System (INIS)

    Ismailova, M.M.; Egorova, L.A.; Khamidov, B.O.

    1993-01-01

    Present article is devoted to study of complex formation of cobalt (II) and cobalt (III) in acrylamide aqueous solutions and in the phase of acrylamide hydrogel. The condition of cobalt in various rate of oxidation in acrylamide aqueous solutions was studied. The concentration conditions of stability of system Co(II)-Co(III) were defined. The composition of coordination compounds of cobalt (II) and cobalt (III) in acrylamide aqueous solutions and in the phase of acrylamide hydrogel was determined.

  12. Electronic Structure of Rare-Earth Metals. II. Positron Annihilation

    DEFF Research Database (Denmark)

    Williams, R. W.; Mackintosh, Allan

    1968-01-01

    The angular correlation of the photons emitted when positrons annihilate with electrons has been studied in single crystals of the rare-earth metals Y, Gd, Tb, Dy, Ho, and Er, and in a single crystal of an equiatomic alloy of Ho and Er. A comparison of the results for Y with the calculations...... of Loucks shows that the independent-particle model gives a good first approximation to the angular distribution, although correlation effects probably smear out some of the structure. The angular distributions from the heavy rare-earth metals are very similar to that from Y and can be understood...... qualitatively in terms of the relativistic augmented-plane-wave calculations by Keeton and Loucks. The angular distributions in the c direction in the paramagnetic phases are characterized by a rapid drop at low angles followed by a hump, and these features are associated with rather flat regions of Fermi...

  13. Structure formation constraints on Sommerfeld-enhanced dark matter annihilation

    International Nuclear Information System (INIS)

    Armendariz-Picon, Cristian; Neelakanta, Jayanth T.

    2012-01-01

    We study the growth of cosmic structure in a ΛCDM universe under the assumption that dark matter self-annihilates with an averaged cross section times relative velocity that grows with the scale factor, an increase known as Sommerfeld-enhancement. Such an evolution is expected in models in which a light force carrier in the dark sector enhances the annihilation cross section of dark matter particles, and has been invoked, for instance, to explain anomalies in cosmic ray spectra reported in the past. In order to make our results as general as possible, we assume that dark matter annihilates into a relativistic species that only interacts gravitationally with the standard model. This assumption also allows us to test whether the additional relativistic species mildly favored by cosmic-microwave background data could originate from dark matter annihilation. We do not find evidence for Sommerfeld-enhanced dark matter annihilation and derive the corresponding upper limits on the annihilation cross-section

  14. Inflation and large scale structure formation after COBE

    International Nuclear Information System (INIS)

    Schaefer, R.K.; Shafi, Q.

    1992-06-01

    The simplest realizations of the new inflationary scenario typically give rise to primordial density fluctuations which deviate logarithmically from the scale free Harrison-Zeldovich spectrum. We consider a number of such examples and, in each case we normalize the amplitude of the fluctuations with the recent COBE measurement of the microwave background anisotropy. The predictions for the bulk velocities as well as anisotropies on smaller (1-2 degrees) angular scales are compared with the Harrison-Zeldovich case. Deviations from the latter range from a few to about 15 percent. We also estimate the redshift beyond which the quasars would not be expected to be seen. The inflationary quasar cutoff redshifts can vary by as much as 25% from the Harrison-Zeldovich case. We find that the inflationary scenario provides a good starting point for a theory of large scale structure in the universe provided the dark matter is a combination of cold plus (10-30%) hot components. (author). 27 refs, 1 fig., 1 tab

  15. Molecular Cloud Structures and Massive Star Formation in N159

    Science.gov (United States)

    Nayak, O.; Meixner, M.; Fukui, Y.; Tachihara, K.; Onishi, T.; Saigo, K.; Tokuda, K.; Harada, R.

    2018-02-01

    The N159 star-forming region is one of the most massive giant molecular clouds (GMCs) in the Large Magellanic Cloud (LMC). We show the 12CO, 13CO, CS molecular gas lines observed with ALMA in N159 west (N159W) and N159 east (N159E). We relate the structure of the gas clumps to the properties of 24 massive young stellar objects (YSOs) that include 10 newly identified YSOs based on our search. We use dendrogram analysis to identify properties of the molecular clumps, such as flux, mass, linewidth, size, and virial parameter. We relate the YSO properties to the molecular gas properties. We find that the CS gas clumps have a steeper size–linewidth relation than the 12CO or 13CO gas clumps. This larger slope could potentially occur if the CS gas is tracing shocks. The virial parameters of the 13CO gas clumps in N159W and N159E are low (energy distribution type in comparison to the YSO candidates in N159W. These differences lead us to conclude that the giant molecular cloud complex in N159E is more evolved than the giant molecular cloud complex in N159W.

  16. Review and prospect on the botryoidal structures from the Sinian Dengying Formation, Sichuan Basin, China

    Directory of Open Access Journals (Sweden)

    Chengbo Lian

    2017-06-01

    Full Text Available Fabric of carbonate rock is the important foundation and one of main research contents for study on carbonate sedimentology, and has always been the attention of the academic circles. Botryoidal structures from the Sinian Dengying Formation in the Sichuan Basin is a kind of special carbonate fabric, the fabric is named after the shape of a grape. In this paper, from four aspects of the research status, the definition of the botryoidal structures and the related terms, the construction characteristics of the botryoidal structures, the component of the botryoidal structures, geochemical characteristics and the genesis of the botryoidal structures are reviewed. It points out the current research issues of botryoidal structures from the Sinian Dengying Formation in the Sichuan Basin, and put forward that future research should focus on the accurate analysis of its internal construction, precipitation mechanism of the major components, and the construction mechanism of botryoidal structures.

  17. Comparing M31 and Milky Way satellites: The extended star formation histories of Andromeda II and Andromeda XVI

    Energy Technology Data Exchange (ETDEWEB)

    Weisz, Daniel R. [Department of Astronomy, University of California at Santa Cruz, 1156 High Street, Santa Cruz, CA 95064 (United States); Skillman, Evan D.; McQuinn, Kristen B. W. [Minnesota Institute for Astrophysics, University of Minnesota, Minneapolis, MN (United States); Hidalgo, Sebastian L.; Monelli, Matteo; Gallart, Carme; Aparicio, Antonio [Instituto de Astrofísica de Canarias. Vía Láctea s/n., E-38200 La Laguna, Tenerife, Canary Islands (Spain); Dolphin, Andrew E. [Raytheon, 1151 E. Hermans Road, Tucson, AZ 85706 (United States); McConnachie, Alan; Stetson, Peter B. [Dominion Astrophysical Observatory, Herzberg Institute of Astrophysics, National Research Council, 5071 West Saanich Road, Victoria, BC V9E 2E7 (Canada); Bernard, Edouard J. [Institute for Astronomy, University of Edinburgh, Royal Observatory, Blackford Hill, Edinburgh EH9 3HJ (United Kingdom); Boylan-Kolchin, Michael [Astronomy Department, University of Maryland, College Park, MD (United States); Cassisi, Santi [INAF-Osservatorio Astronomico di Collurania, Teramo (Italy); Cole, Andrew A. [School of Mathematics and Physics, University of Tasmania, Hobart, Tasmania (Australia); Ferguson, Henry C. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Irwin, Mike [Institute of Astronomy, University of Cambridge, Madingley Road, Cambridge CB3 0HA (United Kingdom); Martin, Nicolas F. [Observatoire astronomique de Strasbourg, Universit de Strasbourg, CNRS, UMR 7550, 11 rue de l' Universit, F-67000 Strasbourg (France); Mayer, Lucio [Institut für Theoretische Physik, University of Zurich, Zürich (Switzerland); Navarro, Julio F., E-mail: drw@ucsc.edu [Department of Physics and Astronomy, University of Victoria, BC V8P 5C2 (Canada)

    2014-07-01

    We present the first comparison between the lifetime star formation histories (SFHs) of M31 and Milky Way (MW) satellites. Using the Advanced Camera for Surveys on board the Hubble Space Telescope, we obtained deep optical imaging of Andromeda II (And II; M{sub V} = –12.0; log(M {sub *}/M {sub ☉}) ∼ 6.7) and Andromeda XVI (And XVI; M{sub V} = –7.5; log(M {sub *}/M {sub ☉}) ∼ 4.9) yielding color-magnitude diagrams that extend at least 1 mag below the oldest main-sequence turnoff, and are similar in quality to those available for the MW companions. And II and And XVI show strikingly similar SFHs: both formed 50%-70% of their total stellar mass between 12.5 and 5 Gyr ago (z ∼ 5-0.5) and both were abruptly quenched ∼5 Gyr ago (z ∼ 0.5). The predominance of intermediate age populations in And XVI makes it qualitatively different from faint companions of the MW and clearly not a pre-reionization fossil. Neither And II nor And XVI appears to have a clear analog among MW companions, and the degree of similarity in the SFHs of And II and And XVI is not seen among comparably faint-luminous pairs of MW satellites. These findings provide hints that satellite galaxy evolution may vary substantially among hosts of similar stellar mass. Although comparably deep observations of more M31 satellites are needed to further explore this hypothesis, our results underline the need for caution when interpreting satellite galaxies of an individual system in a broader cosmological context.

  18. Synthesis, crystal structure, spectroscopic characterization and nonlinear optical properties of Co(II)- picolinate complex

    Energy Technology Data Exchange (ETDEWEB)

    Tamer, Ömer, E-mail: omertamer@sakarya.edu.tr; Avcı, Davut; Atalay, Yusuf

    2015-11-15

    A cobalt(II) complex of picolinate was synthesized, and its structure was fully characterized by the applying of X-ray diffraction method as well as FT-IR, FT-Raman and UV–vis spectroscopies. In order to both support the experimental results and convert study to more advanced level, density functional theory calculations were performed by using B3LYP level. Single crystal X-ray structural analysis shows that cobalt(II) ion was located to the center of distorted octahedral geometry. The C=O, C=C and C=N stretching vibrations were found as highly active and strong peaks, inducing the molecular charge transfer within Co(II) complex. The small energy gap between frontier molecular orbital energies was another indicator of molecular charge transfer interactions within Co(II) complex. The nonlinear optical properties of Co(II) complex were investigated at DFT/B3LYP level, and the hypepolarizability parameter was found to be decreased due to the presence of inversion symmetry. The natural bond orbital (NBO) analysis was performed to investigate molecular stability, hyperconjugative interactions, intramolecular charge transfer (ICT) and bond strength for Co(II) complex. Finally, molecular electrostatic potential (MEP) and spin density distributions for Co(II) complex were evaluated. - Highlights: • Co(II) complex of picolinate was prepared. • Its FT-IR, FT-Raman and UV–vis spectra were measured. • DFT calculations were performed to support experimental results. • Small HOMO-LUMO energy gap is an indicator of molecular charge transfer. • Spin density localized on Co(II) as well as O and N atoms.

  19. Structural Model of RNA Polymerase II Elongation Complex with Complete Transcription Bubble Reveals NTP Entry Routes.

    Directory of Open Access Journals (Sweden)

    Lu Zhang

    2015-07-01

    Full Text Available The RNA polymerase II (Pol II is a eukaryotic enzyme that catalyzes the synthesis of the messenger RNA using a DNA template. Despite numerous biochemical and biophysical studies, it remains elusive whether the "secondary channel" is the only route for NTP to reach the active site of the enzyme or if the "main channel" could be an alternative. On this regard, crystallographic structures of Pol II have been extremely useful to understand the structural basis of transcription, however, the conformation of the unpaired non-template DNA part of the full transcription bubble (TB is still unknown. Since diffusion routes of the nucleoside triphosphate (NTP substrate through the main channel might overlap with the TB region, gaining structural information of the full TB is critical for a complete understanding of Pol II transcription process. In this study, we have built a structural model of Pol II with a complete transcription bubble based on multiple sources of existing structural data and used Molecular Dynamics (MD simulations together with structural analysis to shed light on NTP entry pathways. Interestingly, we found that although both channels have enough space to allow NTP loading, the percentage of MD conformations containing enough space for NTP loading through the secondary channel is twice higher than that of the main channel. Further energetic study based on MD simulations with NTP loaded in the channels has revealed that the diffusion of the NTP through the main channel is greatly disfavored by electrostatic repulsion between the NTP and the highly negatively charged backbones of nucleotides in the non-template DNA strand. Taken together, our results suggest that the secondary channel is the major route for NTP entry during Pol II transcription.

  20. STRUCTURE FORMATION OF ALLOYS ON IRON BASIS AFTER LASER ALLOYING

    Directory of Open Access Journals (Sweden)

    О. V. Diachenko

    2016-01-01

    Full Text Available The paper is devoted to investigations on influence of laser treatment regimes of gas-thermal and adhesive coatings from self-fluxing powders on iron basis and after melting with modifying plaster on their roughness and phase composition. One of mathematical planning methods that is a complete factor experiment method has been used for investigation of parameters’ influence on micro-geometry of coatings. The executed investigations have made it possible to observe a general regularity which does not depend on a type of alloying plaster: while increasing speed of laser beam relatively to treated part, beam diameter value of Ra parameter is becoming less. Decrease in height of surface irregularities in case of increasing laser beam speed is related with intensification of evaporation processes. An increase in beam diameter diminishes Ra parameter of the surface. This is due to the fact that decrease in power density occurs at high rate of beam defocusing. Overlapping coefficient does not exert a pronounced effect on Ra parameter of fused coatings. While increasing the speed of laser beam relatively to the part structure is transferred from dendrite into supersaturated one with carbide and boride precipitations. It has been established that technological parameters of laser treatment and particularly speed of laser beam influence on coating composition. While increasing the speed up to v5 = 5 × 10–3 m/s amount of chromium has become larger by 1.5-fold that resulted in increase of micro-hardness of the coating from 9.5–10.1 GPa up to 11.04–15.50 GPa.

  1. Endoplasmic Reticulum Stress-Associated Lipid Droplet Formation and Type II Diabetes

    OpenAIRE

    Zhang, Xuebao; Zhang, Kezhong

    2012-01-01

    Diabetes mellitus (DM), a metabolic disorder characterized by hyperglycemia, is caused by insufficient insulin production due to excessive loss of pancreatic β cells (type I diabetes) or impaired insulin signaling due to peripheral insulin resistance (type II diabetes). Pancreatic β cell is the only insulin-secreting cell type that has highly developed endoplasmic reticulum (ER) to cope with high demands of insulin synthesis and secretion. Therefore, ER homeostasis is crucial to the proper fu...

  2. Monopole HOMs Dumping in the LCLS-II 1.3 GHz Structure

    Energy Technology Data Exchange (ETDEWEB)

    Lunin, Andrei [Fermilab; Khabiboulline, Timergali [Fermilab; Solyak, Nikolay [Fermilab

    2017-05-01

    Developing an upgrade of Linac Coherent Light Source (LCLS-II) is currently underway. The central part of LCLS-II is a continuous wave superconducting RF (CW SRF) electron linac. High order modes (HOMs) excited in SRF structures by passing beam may deteriorate beam quality and affect beam stability. In this paper we report the simulation results of monopole High Order Modes (HOM) spectrum in the 1.3 GHz accelerating structure. Optimum parameters of the HOM feedthrough are suggested for minimizing RF losses on the HOM antenna tip and for preserving an efficiency of monopole HOMs damping simultaneously.

  3. Two-dimensional layer architecture assembled by Keggin polyoxotungstate, Cu(II)-EDTA complex and sodium linker: Synthesis, crystal structures, and magnetic properties

    International Nuclear Information System (INIS)

    Liu Hong; Xu Lin; Gao Guanggang; Li Fengyan; Yang Yanyan; Li Zhikui; Sun Yu

    2007-01-01

    Reaction of Keggin polyoxotungstate with copper(II)-EDTA (EDTA=ethylenediamine tetraacetate) complex under mild conditions led to the formation of hybrid inorganic-organic compounds Na 4 (OH)[(Cu 2 EDTA)PW 12 O 40 ].17H 2 O (1) and Na 4 [(Cu 2 EDTA)SiW 12 O 40 ].19H 2 O (2). The single-crystal X-ray diffraction analyses reveal their two structural features: (1) one-dimensional chain structure consisting of Keggin polyoxotungstate and copper(II)-EDTA complex; (2) Two-dimensional layer architecture assembled by the one-dimensional chain structure and sodium linker. The results of magnetic measurements in the temperature range 300-2 K indicated the existence of ferromagnetic exchange interactions between the Cu II ions for both compounds. In addition, TGA analysis, IR spectra, and electrochemical properties were also investigated to well characterize these two compounds. - Graphical abstract: Two new polyoxometalate-based hybrids, Na 4 (OH)[Cu 2 (EDTA)PW 12 O 40 ].17H 2 O (1) and Na 4 [Cu 2 (EDTA)SiW 12 O 40 ].19H 2 O (2), have been synthesized and structurally characterized, which consist of one-dimensional chain structure assembled by Keggin polyoxotungstate and copper(II)-EDTA complex. The chains are further connected to form two-dimensional layer architecture assembled by the one-dimensional chain structure and sodium linker

  4. Glass formation via structural fragmentation of a 2D coordination network.

    Science.gov (United States)

    Umeyama, D; Funnell, N P; Cliffe, M J; Hill, J A; Goodwin, A L; Hijikata, Y; Itakura, T; Okubo, T; Horike, S; Kitagawa, S

    2015-08-18

    The structure of a glass obtained by the melt quenching of a two-dimensional (2D) coordination network was examined. X-ray analyses disclosed a 2D-to-0D structural transformation before and after glass formation. The mechanism is unique to coordination compounds, as it is characterized by labile and flexible coordination bonds.

  5. The formation of a core periphery structure in heterogeneous financial networks

    NARCIS (Netherlands)

    in 't Veld, D.; van der Leij, M.; Hommes, C.

    2014-01-01

    Recent empirical evidence suggests that financial networks exhibit a core periphery network structure. This paper aims at giving an economic explanation for the emergence of such a structure using network formation theory. Focusing on intermediation benefits, we find that a core periphery network

  6. The formation of a core periphery structure in heterogeneous financial networks

    NARCIS (Netherlands)

    in 't Veld, D.; van der Leij, M.; Hommes, C.

    2014-01-01

    Recent empirical evidence suggests that nancial networks exhibit a core periphery network structure. This paper aims at giving an economic explanation for the emergence of such a structure using network formation theory. Focusing on intermediation benets, we find that a core periphery network cannot

  7. The formation of a core-periphery structure in heterogeneous financial networks

    NARCIS (Netherlands)

    van der Leij, M.; in 't Veld, D.; Hommes, C.

    2016-01-01

    Recent empirical evidence suggests that financial networks exhibit a core-periphery network structure. This paper aims at giving an explanation for the emergence of such a structure using network formation theory. We propose a simple model of the overnight interbank lending market, in which banks

  8. Peculiarities of cellular structure formation during thermomechanical treatment of 6a group refractory metals

    International Nuclear Information System (INIS)

    Panovko, V.M.; Kuznetsov, V.S.; Repina, L.P.; Sokolov, I.V.

    1979-01-01

    On the basis of molybdenum and its alloys the mechanisms and the peculiarities of cellular structures during thermoplastic treatment are considered. Recommendations are given on selection of temperature - strain conditions, ensuring the formation of perfect cellular structures and minimum temperature values of cold brittleness in halffinished products and items

  9. Droplet formation in microfluidic T-junction generators operating in the transitional regime. II. Modeling.

    Science.gov (United States)

    Glawdel, Tomasz; Elbuken, Caglar; Ren, Carolyn L

    2012-01-01

    This is the second part of a two-part study on the generation of droplets at a microfluidic T-junction operating in the transition regime. In the preceding paper [Phys. Rev. E 85, 016322 (2012)], we presented our experimental observations of droplet formation and decomposed the process into three sequential stages defined as the lag, filling, and necking stages. Here we develop a model that describes the performance of microfluidic T-junction generators working in the squeezing to transition regimes where confinement of the droplet dominates the formation process. The model incorporates a detailed geometric description of the drop shape during the formation process combined with a force balance and necking criteria to define the droplet size, production rate, and spacing. The model inherently captures the influence of the intersection geometry, including the channel width ratio and height-to-width ratio, capillary number, and flow ratio, on the performance of the generator. The model is validated by comparing it to speed videos of the formation process for several T-junction geometries across a range of capillary numbers and viscosity ratios.

  10. Formation and Transformation of Iron Oxide-Kaolinite Associations in the Presence of Iron(II)

    NARCIS (Netherlands)

    Wei, S.Y.; Liu, F.; Feng, X.H.; Tan, W.F.; Koopal, L.K.

    2011-01-01

    Iron oxide-kaolinite associations are important components of tropical and subtropical soils and have significant influence on the physical and chemical properties of soils. In this study, the formation and transformation of Fe oxide-kaolinite associations as a function of pH, temperature, and time

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

    Science.gov (United States)

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

    2016-10-01

    The interaction of natural lipopeptide pseudofactin II with a series of doubly charged metal cations was examined by matrix-assisted laser-desorption ionization-time of flight (MALDI-TOF) mass spectrometry and molecular modelling. The molecular modelling for metal-pseudofactin II provides information on the metal-peptide binding sites. Overall, Mg(2+), Ca(2+) and Zn(2+) favor the association with oxygen atoms spanning the peptide backbone, whereas Cu(2+) is coordinated by three nitrogens. Circular dichroism (CD) results confirmed that Zn(2+) and Cu(2+) can disrupt the secondary structure of pseudofactin II at high concentrations, while Ca(2+) and Mg(2+) did not essentially affect the structure of the lipopeptide. Interestingly, our results showed that the addition of Zn(2+) and Cu(2+) helped smaller micelles to form larger micellar aggregates. Since pseudofactin II binds metals, we tested whether this phenomena was somehow related to its antimicrobial activity against Staphylococcus epidermidis and Proteus mirabilis. We found that the antimicrobial effect of pseudofactin II was increased by supplementation of culture media with all tested divalent metal ions. Finally, by using Gram-positive and Gram-negative bacteria we showed that the higher antimicrobial activity of metal complexes of pseudofactin II is attributed to the disruption of the cytoplasmic membrane. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. Sub-picosecond time resolved infrared spectroscopy of high-spin state formation in Fe(II) spin crossover complexes

    DEFF Research Database (Denmark)

    Døssing, Anders Rørbæk; Wolf, Matthias M. N.; Gross, Ruth

    2008-01-01

      The photoinduced low-spin (S = 0) to high-spin (S = 2) transition of the iron(II) spin-crossover systems [Fe(btpa)](PF6)2 and [Fe(b(bdpa))](PF6)2 in solution have been studied for the first time by means of ultrafast transient infrared spectroscopy at room temperature. Negative and positive inf...... absorption cross sections. The simulated infrared difference spectra are dominated by an increase of the absorption cross section upon high-spin state formation in accordance with the experimental infrared spectra.......  The photoinduced low-spin (S = 0) to high-spin (S = 2) transition of the iron(II) spin-crossover systems [Fe(btpa)](PF6)2 and [Fe(b(bdpa))](PF6)2 in solution have been studied for the first time by means of ultrafast transient infrared spectroscopy at room temperature. Negative and positive...... infrared difference bands between 1000 and 1065 cm-1 that appear within the instrumental system response time of 350 fs after excitation at 387 nm display the formation of the vibrationally unrelaxed and hot high-spin 5T2 state. Vibrational relaxation is observed and characterized by the time constants 9...

  13. Synthesis, structure, and photoluminescence of ZnII and CdII coordination complexes constructed by structurally related 5,6-substituted pyrazine-2,3-dicarboxylate ligands

    Science.gov (United States)

    Li, Yun-Wu; Tao, Ying; Hu, Tong-Liang

    2012-08-01

    Aiming at exploring the effect of substituting groups of three structurally related ligands, 5,6-diethyl-pyrazine-2,3-dicarboxylic acid (H2L1), 5,6-diphenyl-pyrazine-2,3-dicarboxylic acid (H2L2), and dibenzo[f,h]quinoxaline-2,3-dicarboxylic acid (H2L3), seven new coordination polymers constructed from these three substituted dicarboxylate ligands, {[Zn(L1)(H2O)3]·2H2O}∞ (1), {[Cd2(L2ʹ)4(H2O)]·3H2O}∞ (2), [Zn(L2)(CH3OH)]∞ (3), {[Zn(L2)(H2O)2]·H2O}∞ (4), {[Zn(L2ʹ)]·H2O}∞ (5), [Zn2(L3)(DMF)4]∞(6), [Zn(L3)(2,2ʹ-bipy)(H2O)]∞(7), have been prepared and structurally characterized. 1 is a 1D chain structure in which ZnII ion is six-coordinated with octahedron geometry. 2 is also a 1D chain structure in which there are two crystallographically independent CdII ions in the asymmetric unit and exist transformative L2ʹ ligands in the resulting complex. 3 and 4 both possess 2D layer network with the same (4, 82) topology, while the two complexes take different coordination modes during the forming of the compounds. 5 has a 1D chain structure based on the transformative L2ʹ ligand in which ZnII ion is five-coordinated with bipyramidal geometry. 6 and 7 both have 1D chain structure constructed from L3 ligand. Thereinto, ZnII ion in 6 is five-coordinated by three oxygen atoms from two individual L3 ligands and two oxygen atoms from two DMF molecules. While in 7 there are also five coordination sites occupied by two carboxylate oxygen atoms from two L3 ligands. In addition, the compounds are characterized by elemental analysis, IR spectra. The luminescent properties of the compounds are also discussed and exhibit strong fluorescent emissions in the solid state.

  14. Spacer-dependent structural and physicochemical diversity in copper(II) complexes with salicyloyl hydrazones: a monomer and soluble polymers.

    Science.gov (United States)

    Matoga, Dariusz; Szklarzewicz, Janusz; Gryboś, Ryszard; Kurpiewska, Katarzyna; Nitek, Wojciech

    2011-04-18

    Complexation of copper(II) with a series of heterodonor chelating Schiff bases (LL) of salicylic acid hydrazide and aliphatic or cycloaliphatic ketones affords soluble one-dimensional (1D) metallopolymers containing Schiff bases as bridging ligands. Single-crystal X-ray diffraction results reveal nanometer-sized metallopolymeric wires [Cu(μ-LL)(2)](n) with off-axis linkers and a zigzag geometry. Octahedrally coordinated copper centers, exhibiting a Jahn-Teller distortion, are doubly bridged by two Schiff-base molecules in the μ(2)-η(1),η(2) coordination mode. The use of dibutylketone with long alkyl chains as a component for Schiff base formation leads to a distorted square planar monomeric copper(II) complex [Cu(LL)(2)], as evidenced by its X-ray crystal structure. The compounds are characterized by elemental analyses and IR and UV-vis spectroscopy, as well as magnetic susceptibility and cyclic voltammetry measurements. Electrochemical studies on the complexes reveal an existence of polymeric and monomeric forms in solution and the dependence of Cu(II)/Cu(I) reduction potentials on alkyl groups of salicyloyl hydrazone ligands. Polymeric complexes form conducting films on Pt electrodes upon multicycle potential sweeps.

  15. Coordination chemistry and solution structure of Fe(II)-peplomycin. Two possible coordination geometries.

    Science.gov (United States)

    Li, Yang; Lehmann, Teresa

    2012-06-01

    The solution structure of Fe(II)-peplomycin was determined from NMR data collected for this molecule. As found previously for Fe(II)- and Co(II)-bound bleomycin; the coordination sphere of the metal is composed of the primary and secondary amines in β-aminoalanine, the pyrimidine and imidazole rings in the pyrimidinylpropionamide, and β-hydroxyhistidine moieties, respectively, the amine nitrogen in β-hydroxyhistidine, and either the carbamoyl group in mannose or a solvent molecule. The two most discussed coordination geometries for the aforementioned ligands in metallo-bleomycins have been tested against the NMR data generated for Fe(II)-peplomycin. The interpretation of the experimental evidence obtained through molecular dynamics indicates that both geometries are equally likely in solution for this compound in the absence of DNA, but arguments are offered to explain why one of these geometries is preferred in the presence of DNA. Published by Elsevier Inc.

  16. Urotensin II increases foam cell formation by repressing ABCA1 expression through the ERK/NF-κB pathway in THP-1 macrophages

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yan [Department of Anesthesiology, The Second Affiliated Hospital of University of South China, Hengyang 421001, Hunan (China); Wu, Jian-Feng [Department of Cardiovascular Medicine, The Second Affiliated Hospital of University of South China, Hengyang 421001, Hunan (China); Tang, Yan-Yan; Zhang, Min; Li, Yuan [Institute of Cardiovascular Research, Key Laboratory for Atherosclerology of Hunan Province, University of South China, Hengyang 421001, Hunan (China); Chen, Kong; Zeng, Meng-Ya [Department of Cardiovascular Medicine, The Second Affiliated Hospital of University of South China, Hengyang 421001, Hunan (China); Yao, Feng; Xie, Wei [Institute of Cardiovascular Research, Key Laboratory for Atherosclerology of Hunan Province, University of South China, Hengyang 421001, Hunan (China); Zheng, Xi-Long [Department of Biochemistry and Molecular Biology, Libin Cardiovascular Institute of Alberta, University of Calgary, Health Sciences Center, 3330 Hospital Dr NW, Calgary, Alberta T2N 4N1 (Canada); Zeng, Gao-Feng, E-mail: qichingnudou@tom.com [Department of Cardiovascular Medicine, The Second Affiliated Hospital of University of South China, Hengyang 421001, Hunan (China); Tang, Chao-Ke, E-mail: tangchaoke@qq.com [Institute of Cardiovascular Research, Key Laboratory for Atherosclerology of Hunan Province, University of South China, Hengyang 421001, Hunan (China)

    2014-10-03

    Highlights: • U II reduces cholesterol efflux in THP-1 macrophages. • U II decreases the expression of ABCA1. • Inhibition of the ERK/NF-κB pathway reduces U II effects on ABCA1 expression and cholesterol efflux. - Abstract: Objective: Foam cell formation in the arterial wall plays a key role in the development of atherosclerosis. Recent studies showed that Urotensin II (U II) is involved in the pathogenesis of atherosclerosis. Here we examined the effects of human U II on ATP-binding cassette transporter A1 (ABCA1) expression and the underlying mechanism in THP-1 macrophages. Methods and results: Cultured THP-1 macrophages were treated with U II, followed by measuring the intracellular lipid contents, cholesterol efflux and ABCA1 levels. The results showed that U II dramatically decreased ABCA1 levels and impaired cholesterol efflux. However, the effects of U II on ABCA1 protein expression and cellular cholesterol efflux were partially reversed by inhibition of extracellular signal regulated kinase 1/2 (ERK1/2) and nuclear factor kappa B (NF-κB) activity, suggesting the potential roles of ERK1/2 and NF-κB in ABCA1 expression, respectively. Conclusion: Our current data indicate that U II may have promoting effects on the progression of atherosclerosis, likely through suppressing ABCA1 expression via activation of the ERK/NF-κB pathway and reducing cholesterol efflux to promote macrophage foam cell formation.

  17. Tryptophan-Derived 3-Hydroxyanthranilic Acid Contributes to Angiotensin II-Induced Abdominal Aortic Aneurysm Formation in Mice In Vivo.

    Science.gov (United States)

    Wang, Qiongxin; Ding, Ye; Song, Ping; Zhu, Huaiping; Okon, Imoh; Ding, Yang-Nan; Chen, Hou-Zao; Liu, De-Pei; Zou, Ming-Hui

    2017-12-05

    Abnormal amino acid metabolism is associated with vascular disease. However, the causative link between dysregulated tryptophan metabolism and abdominal aortic aneurysm (AAA) is unknown. Indoleamine 2,3-dioxygenase (IDO) is the first and rate-limiting enzyme in the kynurenine pathway of tryptophan metabolism. Mice with deficiencies in both apolipoprotein e (Apoe) and IDO (Apoe -/- /IDO -/- ) were generated by cross-breeding IDO -/- mice with Apoe -/- mice. The acute infusion of angiotensin II markedly increased the incidence of AAA in Apoe -/- mice, but not in Apoe -/- /IDO -/- mice, which presented decreased elastic lamina degradation and aortic expansion. These features were not altered by the reconstitution of bone marrow cells from IDO +/+ mice. Moreover, angiotensin II infusion instigated interferon-γ, which induced the expression of IDO and kynureninase and increased 3-hydroxyanthranilic acid (3-HAA) levels in the plasma and aortas of Apoe -/- mice, but not in IDO -/- mice. Both IDO and kynureninase controlled the production of 3-HAA in vascular smooth muscle cells. 3-HAA upregulated matrix metallopeptidase 2 via transcription factor nuclear factor-κB. Furthermore, kynureninase knockdown in mice restrained 3-HAA, matrix metallopeptidase 2, and resultant AAA formation by angiotensin II infusion. Intraperitoneal injections of 3-HAA into Apoe -/- and Apoe -/- /IDO -/- mice for 6 weeks increased the expression and activity of matrix metallopeptidase 2 in aortas without affecting metabolic parameters. Finally, human AAA samples had stronger staining with the antibodies against 3-HAA, IDO, and kynureninase than those in adjacent nonaneurysmal aortic sections of human AAA samples. These data define a previously undescribed causative role for 3-HAA, which is a product of tryptophan metabolism, in AAA formation. Furthermore, these findings suggest that 3-HAA reduction may be a new target for treating cardiovascular diseases. © 2017 American Heart Association, Inc.

  18. Synthesis, characterization and crystal structures of new Zinc(II) and Nickel(II) complexes containing morpholine moiety and their antibacterial studies

    Czech Academy of Sciences Publication Activity Database

    Goudarziafshar, H.; Rezaeivala, M.; Khosravi, F.; Abbasityula, Y.; Yousefi, S.; Özbek, N.; Eigner, Václav; Dušek, Michal

    2015-01-01

    Roč. 12, č. 1 (2015), 113-119 ISSN 1735-207X Grant - others:AV ČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : crystal structure * morpholine moiety * antibacterial effects * zinc (ii) complex * nickel(ii) complex Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.300, year: 2015

  19. Structure-based design of non-natural amino-acid inhibitors of amyloid fibril formation

    Energy Technology Data Exchange (ETDEWEB)

    Sievers, Stuart A.; Karanicolas, John; Chang, Howard W.; Zhao, Anni; Jiang, Lin; Zirafi, Onofrio; Stevens, Jason T.; Münch, Jan; Baker, David; Eisenberg, David (UCLA); (UWASH); (UL); (Kansas); (Ulm)

    2011-09-20

    Many globular and natively disordered proteins can convert into amyloid fibrils. These fibrils are associated with numerous pathologies as well as with normal cellular functions, and frequently form during protein denaturation. Inhibitors of pathological amyloid fibril formation could be useful in the development of therapeutics, provided that the inhibitors were specific enough to avoid interfering with normal processes. Here we show that computer-aided, structure-based design can yield highly specific peptide inhibitors of amyloid formation. Using known atomic structures of segments of amyloid fibrils as templates, we have designed and characterized an all-D-amino-acid inhibitor of the fibril formation of the tau protein associated with Alzheimer's disease, and a non-natural L-amino-acid inhibitor of an amyloid fibril that enhances sexual transmission of human immunodeficiency virus. Our results indicate that peptides from structure-based designs can disrupt the fibril formation of full-length proteins, including those, such as tau protein, that lack fully ordered native structures. Because the inhibiting peptides have been designed on structures of dual-{beta}-sheet 'steric zippers', the successful inhibition of amyloid fibril formation strengthens the hypothesis that amyloid spines contain steric zippers.

  20. Dwarf galaxies with ionizing radiation feedback. II. Spatially resolved star formation relation

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Ji-hoon; Krumholz, Mark R.; Wise, John H.; Turk, Matthew J.; Goldbaum, Nathan J.; Abel, Tom

    2013-11-15

    AWe investigate the spatially resolved star formation relation using a galactic disk formed in a comprehensive high-resolution (3.8 pc) simulation. Our new implementation of stellar feedback includes ionizing radiation as well as supernova explosions, and we handle ionizing radiation by solving the radiative transfer equation rather than by a subgrid model. Photoheating by stellar radiation stabilizes gas against Jeans fragmentation, reducing the star formation rate (SFR). Because we have self-consistently calculated the location of ionized gas, we are able to make simulated, spatially resolved observations of star formation tracers, such as Hα emission. We can also observe how stellar feedback manifests itself in the correlation between ionized and molecular gas. Applying our techniques to the disk in a galactic halo of 2.3 × 1011 M , we find that the correlation between SFR density (estimated from mock Hα emission) and H2 density shows large scatter, especially at high resolutions of ≲ 75 pc that are comparable to the size of giant molecular clouds (GMCs). This is because an aperture of GMC size captures only particular stages of GMC evolution and because Hα traces hot gas around star-forming regions and is displaced from the H2 peaks themselves. By examining the evolving environment around star clusters, we speculate that the breakdown of the traditional star formation laws of the Kennicutt-Schmidt type at small scales is further aided by a combination of stars drifting from their birthplaces and molecular clouds being dispersed via stellar feedback.

  1. On the formation of Mg II h and k lines in solar prominences

    Czech Academy of Sciences Publication Activity Database

    Heinzel, Petr; Vial, J. C.; Anzer, U.

    2014-01-01

    Roč. 564, April (2014), A132/1-A132/10 ISSN 0004-6361 R&D Projects: GA ČR GAP209/12/0906; GA ČR(CZ) GAP209/11/2463; GA ČR GA205/09/1705 Institutional support: RVO:67985815 Keywords : line: profiles * line: formation * Sun: filaments, prominences Subject RIV: BN - Astronomy, Celestial Mechanics, Astrophysics Impact factor: 4.378, year: 2014

  2. Nonlinear Aerodynamic and Nonlinear Structures Interations (NANSI) Methodology for Ballute/Inflatable Aeroelasticity in Hypersonic Atmospheric Entry, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — ZONA proposes a phase II effort to fully develop a comprehensive methodology for aeroelastic predictions of the nonlinear aerodynamic/aerothermodynamic - structure...

  3. The formation of dissipative structures in polymers as a model of synergy

    Directory of Open Access Journals (Sweden)

    Khanchich Oleg A.

    2016-01-01

    Full Text Available Synergetic is an interdisciplinary area and describes the emergence of various kinds of structures, using the representation of the natural sciences. In this paper we studied the conditions for the appearance of thermodynamically stable amorphous-crystalline supramolecular structures on the basis of practical importance for the production of heat-resistant high-strength polymer fibers semi-rigid systems. It is found that in the process of structure formation in the coagulation of the polymer from solutions having supramolecular structures area a definite geometric shape and dimensions. Pattern formation in such systems can simulate the processes studied synergy. This is occurring in the process of self-organization of dissipative structures, transitions from one structure to another. This most discussed matter of self-organization on the “optical” scale level, are observed spherulites have a “correct” form and certain geometric dimensions comparable to the wavelength of visible light. Previously, this polymer does not crystallize at all considered. It is shown that for the study of supramolecular structures are the most convenient and informative experimental approaches are polarization-optical methods, which are directly “tuned” to the optical anisotropy of the structure and morphology. The great advantage of these methods is also possible to study the kinetics of structure formation processes without interfering the system under study.

  4. Effect of small cage guests on hydrogen bonding of tetrahydrofuran in binary structure II clathrate hydrates.

    Science.gov (United States)

    Alavi, Saman; Ripmeester, John A

    2012-08-07

    Molecular dynamics simulations of the pure structure II tetrahydrofuran clathrate hydrate and binary structure II tetrahydrofuran clathrate hydrate with CO(2), CH(4), H(2)S, and Xe small cage guests are performed to study the effect of the shape, size, and intermolecular forces of the small cages guests on the structure and dynamics of the hydrate. The simulations show that the number and nature of the guest in the small cage affects the probability of hydrogen bonding of the tetrahydrofuran guest with the large cage water molecules. The effect on hydrogen bonding of tetrahydrofuran occurs despite the fact that the guests in the small cage do not themselves form hydrogen bonds with water. These results indicate that nearest neighbour guest-guest interactions (mediated through the water lattice framework) can affect the clathrate structure and stability. The implications of these subtle small guest effects on clathrate hydrate stability are discussed.

  5. Materials science in microelectronics II the effects of structure on properties in thin films

    CERN Document Server

    Machlin, Eugene

    2005-01-01

    The subject matter of thin-films - which play a key role in microelectronics - divides naturally into two headings: the processing / structure relationship, and the structure / properties relationship. Part II of 'Materials Science in Microelectronics' focuses on the latter of these relationships, examining the effect of structure on the following: Electrical properties Magnetic properties Optical properties Mechanical properties Mass transport properties Interface and junction properties Defects and properties Captures the importance of thin films to microelectronic development Examines the cause / effect relationship of structure on thin film properties.

  6. Formation of Radio Type II Bursts During a Multiple Coronal Mass Ejection Event

    Science.gov (United States)

    Al-Hamadani, Firas; Pohjolainen, Silja; Valtonen, Eino

    2017-12-01

    We study the solar event on 27 September 2001 that consisted of three consecutive coronal mass ejections (CMEs) originating from the same active region, which were associated with several periods of radio type II burst emission at decameter-hectometer (DH) wavelengths. Our analysis shows that the first radio burst originated from a low-density environment, formed in the wake of the first, slow CME. The frequency-drift of the burst suggests a low-speed burst driver, or that the shock was not propagating along the large density gradient. There is also evidence of band-splitting within this emission lane. The origin of the first shock remains unclear, as several alternative scenarios exist. The second shock showed separate periods of enhanced radio emission. This shock could have originated from a CME bow shock, caused by the fast and accelerating second or third CME. However, a shock at CME flanks is also possible, as the density depletion caused by the three CMEs would have affected the emission frequencies and hence the radio source heights could have been lower than usual. The last type II burst period showed enhanced emission in a wider bandwidth, which was most probably due to the CME-CME interaction. Only one shock that could reliably be associated with the investigated CMEs was observed to arrive near Earth.

  7. Molecule formation and infrared emission in fast interstellar shocks. II. Dissociation speeds for interstellar shock waves

    International Nuclear Information System (INIS)

    Hollenbach, D.; McKee, C.F.

    1980-01-01

    The postshock destruction of molecules is examined, including the processes of (i) collisions with neutral hydrogen atoms and molecules, (ii) electronic collisions, and (iii) neutral chemical reactions with atoms, particularly atomic hydrogen. Using conservative estimates of collisional dissociation rates from individual vibrational states, we find that process (i) leads to the destruction of molecular hydrogen behind shocks with speeds v/sub s/> or approx. =25 km s -1 if the preshock molecular gas has hydrogen nucleus densities of n 0 > or approx. =10 4 cm -3 . At lower densities (n 0 approx. =10 2 cm -3 ), destruction occurs for v/sub s/> or approx. =50 km s -1 and process (ii) dominates. Dissociation of molecules such as CO, H 2 O, and O 2 follows the destruction of H 2 , as the resultant hydrogen atoms chemically dissociate the metal atoms from their bonds (process iii) in the hot postshock gas. These results demonstrate that many of the observed high-speed interstellar molecules, if shock accelerated, must have dissociated and reformed in the postshock gas

  8. Multilayered and digitally structured presentation formats of trustworthy recommendations: a combined survey and randomised trial

    Science.gov (United States)

    Vandvik, Per Olav; Alonso-Coello, Pablo; Akl, Elie A; Thornton, Judith; Rigau, David; Adams, Katie; O'Connor, Paul; Guyatt, Gordon; Kristiansen, Annette

    2017-01-01

    Objectives To investigate practicing physicians' preferences, perceived usefulness and understanding of a new multilayered guideline presentation format—compared to a standard format—as well as conceptual understanding of trustworthy guideline concepts. Design Participants attended a standardised lecture in which they were presented with a clinical scenario and randomised to view a guideline recommendation in a multilayered format or standard format after which they answered multiple-choice questions using clickers. Both groups were also presented and asked about guideline concepts. Setting Mandatory educational lectures in 7 non-academic and academic hospitals, and 2 settings involving primary care in Lebanon, Norway, Spain and the UK. Participants 181 practicing physicians in internal medicine (156) and general practice (25). Interventions A new digitally structured, multilayered guideline presentation format and a standard narrative presentation format currently in widespread use. Primary and secondary outcome measures Our primary outcome was preference for presentation format. Understanding, perceived usefulness and perception of absolute effects were secondary outcomes. Results 72% (95% CI 65 to 79) of participants preferred the multilayered format and 16% (95% CI 10 to 22) preferred the standard format. A majority agreed that recommendations (multilayered 86% vs standard 91%, p value=0.31) and evidence summaries (79% vs 77%, p value=0.76) were useful in the context of the clinical scenario. 72% of participants randomised to the multilayered format vs 58% for standard formats reported correct understanding of the recommendations (p value=0.06). Most participants elected an appropriate clinical action after viewing the recommendations (98% vs 92%, p value=0.10). 82% of the participants considered absolute effect estimates in evidence summaries helpful or crucial. Conclusions Clinicians clearly preferred a novel multilayered presentation format to the

  9. Formation of chain structures in systems of charged grains interacting via isotropic pair potentials

    Energy Technology Data Exchange (ETDEWEB)

    Vaulina, O. S.; Lisina, I. I.; Koss, K. G., E-mail: Xeniya.Koss@gmail.com [Russian Academy of Sciences, Joint Institute for High Temperatures (Russian Federation)

    2013-05-15

    Conditions for the formation of chain structures of charged grains confined in the gravitational field by external electric fields are studied analytically and numerically. The relationships between the parameters of the pair interaction potential, the number of grains, and the electric field gradient in the trap are found. A criterion for the violation of stable equilibrium in a quasi-one-dimensional chain of grains and the formation of a new configuration in the system is proposed.

  10. DNA binding and cleavage activity of a structurally characterized Ni(II)

    Indian Academy of Sciences (India)

    1375–1381. c Indian Academy of Sciences. DOI 10.1007/s12039-015-0900-4. DNA binding and cleavage activity of a structurally characterized Ni(II). Schiff base complex. SARAT CHANDRA KUMARa, ABHIJIT PALa, MERRY MITRAa,. V M MANIKANDAMATHAVANb, CHIA -HER LINc, BALACHANDRAN UNNI NAIRb,∗.

  11. Structural studies on a non toxic homologue of type II RIPs from ...

    Indian Academy of Sciences (India)

    Each domain carries a carbohydrate binding site in type II RIPS of known structure. BGSL has a sugar binding site only on one domain, thus impairing its interaction at the cell surface. The adenine binding site in the catalytic chain is defective. Thus, defects in sugar binding as well as adenine binding appear to contribute to ...

  12. A high-resolution structure of ligand-free human glutamate carboxypeptidase II

    Czech Academy of Sciences Publication Activity Database

    Bařinka, C.; Starková, Jana; Konvalinka, Jan; Lubkowski, J.

    F63, č. 3 (2007), s. 150-153 ISSN 1744-3091 R&D Projects: GA MŠk 1M0508 Institutional research plan: CEZ:AV0Z40550506 Keywords : human glutamate carboxypeptidase II * X-ray structure * prostate-cancer Subject RIV: CE - Biochemistry Impact factor: 0.645, year: 2007

  13. Domain formation in the type-II/1 superconductor niobium: Interplay of pinning, geometry, and attractive vortex-vortex interaction

    Science.gov (United States)

    Reimann, Tommy; Schulz, Michael; Mildner, David F. R.; Bleuel, Markus; Brûlet, Annie; Harti, Ralph P.; Benka, Georg; Bauer, Andreas; Böni, Peter; Mühlbauer, Sebastian

    2017-10-01

    Vortex attraction which can cause a bundling of vortices has been observed in a multitude of type-II superconductors. While its underlying mechanisms have been extensively studied, the morphology of the emerging vortex superstructure has only been rarely considered. Here, we present a comprehensive experimental study on the type-II/1 superconductor niobium which focuses on the transformation of its homogeneous vortex lattice into an inhomogeneous domain structure at the onset of vortex attraction. By means of small-angle neutron scattering, ultra-small-angle neutron scattering, and neutron grating interferometry, the vortex lattice and the micrometer-scale vortex domain structure as well as its distribution could be investigated. In particular, we focus on the transformation of the vortex lattice at the transition to the intermediate mixed state, which is characterized by vortex attraction. We have found that the phase separation of the vortex lattice into an irregular domain structure takes place via a process showing strong similarity to spinodal decomposition. While pinning disorders the domain morphology, the characteristic length scale of the domain structure is governed by an interplay of field distortion energy and domain surface tension. Finally, geometric barriers in the disk-shaped samples provoke an inhomogeneous distribution of domains on the macroscopic scale.

  14. Engineering characterization of ground motion. Task II. Effects of ground motion characteristics on structural response considering localized structural nonlinearities and soil-structure interaction effects. Volume 2

    International Nuclear Information System (INIS)

    Kennedy, R.P.; Kincaid, R.H.; Short, S.A.

    1985-03-01

    This report presents the results of part of a two-task study on the engineering characterization of earthquake ground motion for nuclear power plant design. Task I of the study, which is presented in NUREG/CR-3805, Vol. 1, developed a basis for selecting design response spectra taking into account the characteristics of free-field ground motion found to be significant in causing structural damage. Task II incorporates additional considerations of effects of spatial variations of ground motions and soil-structure interaction on foundation motions and structural response. The results of Task II are presented in four parts: (1) effects of ground motion characteristics on structural response of a typical PWR reactor building with localized nonlinearities and soil-structure interaction effects; (2) empirical data on spatial variations of earthquake ground motion; (3) soil-structure interaction effects on structural response; and (4) summary of conclusions and recommendations based on Tasks I and II studies. This report presents the results of the first part of Task II. The results of the other parts will be presented in NUREG/CR-3805, Vols. 3 to 5

  15. Supramolecular isomerism in cadmium (II) coordination polymers from benzene-1,3,5-tribenzoate (BTB): Syntheses, structures and luminescent properties

    Science.gov (United States)

    Zhang, Jian-Yong; Cui, Peng-Hui; Shi, Jun-Xia; Zhang, Na; Deng, Wei

    2017-12-01

    By tuning the solvent mixture, four CdII-based compounds, [Cd3(BTB)2(DMA)4]·2DMA (1α), [Cd3(BTB)2(DMA)4]·2DMA (1β), [Cd3(BTB)2(DMF)4]·2DMF (1γ), Cd2(BTB)(HCOO)(DMF)3 (2) have been successfully separated from H3BTB ligand and Cd(NO3)2 salts. Structural analyses revealed that compounds 1α, 1β and 1γ are iso-structural and have essentially identical local and two-dimensional structures constructed from trinuclear Cd3(OCO)6 unit. Their structural differences only arise from the different packing fashions, which are novel modes of supramolecular isomerism in coordination polymers. Compound 2 displays 3D two-fold interpenetrated network based on 1D infinite Cd3(μ1,1,3-OCO)2(HCOO) chains containing mixed BTB3- and formate ligands. The fluorescence measurements show that compounds 2 exhibit red-shifts (about 25 nm) in the solid state, compared with three iso-structural 1α, 1β and 1γ, and this can be attributed to the cooperative effects of intraligand π-π* transitions and ligand-to-metal charge transfer (LMCT).

  16. Conditions for the formation of pure birnessite during the oxidation of Mn(II) cations in aqueous alkaline medium

    Energy Technology Data Exchange (ETDEWEB)

    Boumaiza, Hella [Laboratoire de Chimie des Matériaux et Catalyse, Faculté des Sciences de Tunis, Université El Manar (Tunisia); Laboratoire de Chimie Physique et Microbiologie pour l' Environnement (LCPME)-UMR 7564, CNRS-Université de Lorraine, 405, rue de Vandoeuvre, 54600 Villers-lès-Nancy (France); Département de Génie Biologique et Chimique, Institut National des Sciences Appliquées et de Technologies (INSAT), Université de Carthage, Tunis (Tunisia); Coustel, Romain [Laboratoire de Chimie Physique et Microbiologie pour l' Environnement (LCPME)-UMR 7564, CNRS-Université de Lorraine, 405, rue de Vandoeuvre, 54600 Villers-lès-Nancy (France); Medjahdi, Ghouti [Institut Jean Lamour, Centre de Compétences Rayons X et Spectroscopie (X-Gamma), UMR 7198 CNRS-Université de Lorraine (France); Ruby, Christian, E-mail: Christian.ruby@univ-lorraine.fr [Laboratoire de Chimie Physique et Microbiologie pour l' Environnement (LCPME)-UMR 7564, CNRS-Université de Lorraine, 405, rue de Vandoeuvre, 54600 Villers-lès-Nancy (France); and others

    2017-04-15

    Birnessite was synthetized through redox reaction by mixing MnO{sub 4}{sup -}, Mn{sup 2+} and OH{sup -} solutions. The Mn(VII): Mn(II) ratio of 0.33 was chosen and three methods were used consisting in a quick mixing under vigorous stirring of two of the three reagents and then on the dropwise addition of the third one. The obtained solids were characterized by XRD, FTIR and XPS spectroscopies. Their average oxidation states were determined from ICP and CEC measurements while their surface properties were investigated by XPS. This study provides an increased understanding of the importance of dissolved oxygen in the formation of birnessite and hausmannite and shows the ways to obtain pure birnessite. The role of counter-ion ie. Na{sup +} or K{sup +} was also examined. - Graphical abstract: Pathways of birnessite formation. - Highlights: • Pure birnessite is prepared through a redox reaction. • Hausmannite formation is prevented by controlling dissolved O2. • The employed counterion influences the purity of birnessite. • Initial Mn(OH){sub 2} is oxidized by both MnO{sub 4}{sup -} and dissolved O{sub 2}.

  17. Structure-Function Studies Link Class II Viral Fusogens with the Ancestral Gamete Fusion Protein HAP2.

    Science.gov (United States)

    Pinello, Jennifer Fricke; Lai, Alex L; Millet, Jean K; Cassidy-Hanley, Donna; Freed, Jack H; Clark, Theodore G

    2017-03-06

    The conserved transmembrane protein, HAP2/GCS1, has been linked to fertility in a wide range of taxa and is hypothesized to be an ancient gamete fusogen. Using template-based structural homology modeling, we now show that the ectodomain of HAP2 orthologs from Tetrahymena thermophila and other species adopt a protein fold remarkably similar to the dengue virus E glycoprotein and related class II viral fusogens. To test the functional significance of this predicted structure, we developed a flow-cytometry-based assay that measures cytosolic exchange across the conjugation junction to rapidly probe the effects of HAP2 mutations in the Tetrahymena system. Using this assay, alterations to a region in and around a predicted "fusion loop" in T. thermophila HAP2 were found to abrogate membrane pore formation in mating cells. Consistent with this, a synthetic peptide corresponding to the HAP2 fusion loop was found to interact directly with model membranes in a variety of biophysical assays. These results raise interesting questions regarding the evolutionary relationships of class II membrane fusogens and harken back to a long-held argument that eukaryotic sex arose as the byproduct of selection for the horizontal transfer of a "selfish" genetic element from cell to cell via membrane fusion. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Structural and Molecular Properties of Insect Type II Motor Axon Terminals

    Directory of Open Access Journals (Sweden)

    Bettina Stocker

    2018-03-01

    Full Text Available A comparison between the axon terminals of octopaminergic efferent dorsal or ventral unpaired median neurons in either desert locusts (Schistocerca gregaria or fruit flies (Drosophila melanogaster across skeletal muscles reveals many similarities. In both species the octopaminergic axon forms beaded fibers where the boutons or varicosities form type II terminals in contrast to the neuromuscular junction (NMJ or type I terminals. These type II terminals are immunopositive for both tyramine and octopamine and, in contrast to the type I terminals, which possess clear synaptic vesicles, only contain dense core vesicles. These dense core vesicles contain octopamine as shown by immunogold methods. With respect to the cytomatrix and active zone peptides the type II terminals exhibit active zone-like accumulations of the scaffold protein Bruchpilot (BRP only sparsely in contrast to the many accumulations of BRP identifying active zones of NMJ type I terminals. In the fruit fly larva marked dynamic changes of octopaminergic fibers have been reported after short starvation which not only affects the formation of new branches (“synaptopods” but also affects the type I terminals or NMJs via octopamine-signaling (Koon et al., 2011. Our starvation experiments of Drosophila-larvae revealed a time-dependency of the formation of additional branches. Whereas after 2 h of starvation we find a decrease in “synaptopods”, the increase is significant after 6 h of starvation. In addition, we provide evidence that the release of octopamine from dendritic and/or axonal type II terminals uses a similar synaptic machinery to glutamate release from type I terminals of excitatory motor neurons. Indeed, blocking this canonical synaptic release machinery via RNAi induced downregulation of BRP in neurons with type II terminals leads to flight performance deficits similar to those observed for octopamine mutants or flies lacking this class of neurons (Brembs et al., 2007.

  19. Parametric dependence of the perpendicular velocity shear layer formation in TJ-II plasmas

    International Nuclear Information System (INIS)

    Guimarais, Luis; Estrada, Teresa; Ascasibar, Enrique

    2008-01-01

    In TJ-II plasmas, the perpendicular rotation velocity of the turbulence changes from positive to negative (from ion to electron diamagnetic direction) inside the Last Closed Magnetic Surface (LCMS) when the line-averaged plasma density exceeds some critical value, this change being dominated by the inversion in the radial electric field. In this work we study the parameters that control the inversion in the perpendicular rotation. A parametric dependence of the critical density has been obtained studying plasmas confined in different magnetic configurations (different rotational transform and/or plasma volume) and heated with different ECH power levels. The studied data set shows a positive exponential dependence on heating power and a negative one on plasma radius, while the dependence on rotational transform has low statistical meaning. Besides, analysis of local plasma parameters points to plasma collisionally as the parameter that controls the inversion of the perpendicular rotation velocity of the turbulence. (author)

  20. Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles.

    Science.gov (United States)

    Aggarwal, Mayank; Kondeti, Bhargav; Tu, Chingkuang; Maupin, C Mark; Silverman, David N; McKenna, Robert

    2014-03-01

    Human carbonic anhydrases (CAs) are zinc metalloenzymes that catalyze the hydration and dehydration of CO2 and HCO3 (-), respectively. The reaction follows a ping-pong mechanism, in which the rate-limiting step is the transfer of a proton from the zinc-bound solvent (OH(-)/H2O) in/out of the active site via His64, which is widely believed to be the proton-shuttling residue. The decreased catalytic activity (∼20-fold lower with respect to the wild type) of a variant of CA II in which His64 is replaced with Ala (H64A CA II) can be enhanced by exogenous proton donors/acceptors, usually derivatives of imidazoles and pyridines, to almost the wild-type level. X-ray crystal structures of H64A CA II in complex with four imidazole derivatives (imidazole, 1--methylimidazole, 2--methylimidazole and 4-methylimidazole) have been determined and reveal multiple binding sites. Two of these imidazole binding sites have been identified that mimic the positions of the 'in' and 'out' rotamers of His64 in wild-type CA II, while another directly inhibits catalysis by displacing the zinc-bound solvent. The data presented here not only corroborate the importance of the imidazole side chain of His64 in proton transfer during CA catalysis, but also provide a complete structural understanding of the mechanism by which imidazoles enhance (and inhibit when used at higher concentrations) the activity of H64A CA II.

  1. The star formation histories of local group dwarf galaxies. II. Searching for signatures of reionization

    Energy Technology Data Exchange (ETDEWEB)

    Weisz, Daniel R. [Department of Astronomy, University of California at Santa Cruz, 1156 High Street, Santa Cruz, CA 95064 (United States); Dolphin, Andrew E. [Raytheon Company, 1151 East Hermans Road, Tucson, AZ 85756 (United States); Skillman, Evan D. [Minnesota Institute for Astrophysics, University of Minnesota, 116 Church Street SE, Minneapolis, MN 55455 (United States); Holtzman, Jon [Department of Astronomy, New Mexico State University, Box 30001, 1320 Frenger Street, Las Cruces, NM 88003 (United States); Gilbert, Karoline M.; Dalcanton, Julianne J.; Williams, Benjamin F., E-mail: drw@ucsc.edu [Department of Astronomy, University of Washington, Box 351580, Seattle, WA 98195 (United States)

    2014-07-10

    We search for signatures of reionization in the star formation histories (SFHs) of 38 Local Group dwarf galaxies (10{sup 4} < M{sub *} < 10{sup 9} M{sub ☉}). The SFHs are derived from color-magnitude diagrams using archival Hubble Space Telescope/Wide Field Planetary Camera 2 imaging. Only five quenched galaxies (And V, And VI, And XIII, Leo IV, and Hercules) are consistent with forming the bulk of their stars before reionization, when full uncertainties are considered. Observations of 13 of the predicted 'true fossils' identified by Bovill and Ricotti show that only two (Hercules and Leo IV) indicate star formation quenched by reionization. However, both are within the virial radius of the Milky Way and evidence of tidal disturbance complicates this interpretation. We argue that the late-time gas capture scenario posited by Ricotti for the low mass, gas-rich, and star-forming fossil candidate Leo T is observationally indistinguishable from simple gas retention. Given the ambiguity between environmental effects and reionization, the best reionization fossil candidates are quenched low mass field galaxies (e.g., KKR 25).

  2. Quantitative serine protease assays based on formation of copper(II)-oligopeptide complexes.

    Science.gov (United States)

    Ding, Xiaokang; Yang, Kun-Lin

    2015-01-07

    A quantitative protease assay based on the formation of a copper-oligopeptide complex is developed. In this assay, when a tripeptide GGH fragment is cleaved from an oligopeptide chain by serine proteases, the tripeptide quickly forms a pink GGH/Cu(2+) complex whose concentration can be determined quantitatively by using UV-Vis spectroscopy. Therefore, activities of serine proteases can be determined from the formation rate of the GGH/Cu(2+) complex. This principle can be used to detect the presence of serine protease in a real-time manner, or measure proteolytic activities of serine protease cleaving different oligopeptide substrates. For example, by using this assay, we demonstrate that trypsin, a model serine protease, is able to cleave two oligopeptides GGGGKGGH () and GGGGRGGH (). However, the specificity constant (kcat/Km) for is higher than that of (6.4 × 10(3) mM(-1) min(-1)vs. 1.3 × 10(3) mM(-1) min(-1)). This result shows that trypsin is more specific toward arginine (R) than lysine (K) in the oligopeptide sequence.

  3. Sulfur-Functionalized N-Heterocyclic Carbene Complexes of Pd(II: Syntheses, Structures and Catalytic Activities

    Directory of Open Access Journals (Sweden)

    Dan Yuan

    2012-03-01

    Full Text Available N-heterocyclic carbenes (NHCs can be easily modified by introducing functional groups at the nitrogen atoms, which leads to versatile coordination chemistry as well as diverse catalytic applications of the resulting complexes. This article summarizes our contributions to the field of NHCs bearing different types of sulfur functions, i.e., thioether, sulfoxide, thiophene, and thiolato. The experimental evidence for the truly hemilabile coordination behavior of a Pd(II thioether-NHC complex has been reported as well. In addition, complexes bearing rigid CSC-pincer ligands have been synthesized and the reasons for pincer versus pseudo-pincer formation investigated. Incorporation of the electron-rich thiolato function resulted in the isolation of structurally diverse complexes. The catalytic activities of selected complexes have been tested in Suzuki-Miyaura, Mizoroki-Heck and hydroamination reactions.

  4. In situ transmission electron microscope observation of the formation of fuzzy structures on tungsten

    International Nuclear Information System (INIS)

    Miyamoto, M; Watanabe, T; Nagashima, H; Nishijima, D; Doerner, R P; Krasheninnikov, S I; Sagara, A; Yoshida, N

    2014-01-01

    To investigate the formation processes of tungsten nano-structures, so called fuzz, in situ transmission electron microscope observations during helium ion irradiation and high temperature annealing have been performed. The irradiation with 3 keV He + from room temperature to 1273 K is found to cause high-density helium bubbles in tungsten with no significant change in the surface structure. At higher temperatures, surface morphology changes were observed even without helium irradiation due probably to surface diffusion of tungsten atoms driven by surface tension. It is clearly shown that this morphology change is enhanced with helium irradiation, i.e. the formation of helium bubbles. (paper)

  5. Formation of silver microbelt structures by laser irradiation of silver nanoparticles in ethanol

    Science.gov (United States)

    Zamiri, Reza; Zakaria, Azmi; Husin, Mohd Shahril; Wahab, Zaidan Abd; Nazarpour, Forough Kalaei

    2011-01-01

    In the present work, we prepared silver nanoparticles by laser ablation of pure silver plate in ethanol and then irradiated the silver nanoparticles using a 532 nm Q-switched Nd:YAG pulsed laser. Transmission electron microscopic images of the sample after irradiation clearly showed formation of big structures, such as microrods and microbelts in ethanol. The obtained microbelts had a width of about 0.166 μm and a length of 1.472 μm. The reason for the formation of such a big structure is the tendency of the nanoparticles to aggregate in ethanol before irradiation, which causes fusion of the nanoparticles. PMID:22114485

  6. Formation of turbulent structures and the link to fluctuation driven sheared flows

    DEFF Research Database (Denmark)

    Windisch, T; Grulke, O; Naulin, Volker

    2011-01-01

    The formation of turbulent structures in weakly developed drift-wave turbulence is investigated using experimental data obtained in a linear laboratory device. The findings are compared with fully non-linear numerical simulation results. The formation of structures occurs in a region, in which...... the divergence of the Reynolds stress, which is one term in the momentum balance, has a maximum. The generation of a time-averaged shear layer is not observed, but for transient events the shearing rate can become sufficiently strong to decorrelate the fluctuations. This happens when the energy flow...

  7. Plasma turbulence. Structure formation, selection rule, dynamic response and dynamics transport

    International Nuclear Information System (INIS)

    Ito, Sanae I.

    2010-01-01

    The five-year project of Grant-in-Aid for Specially Promoted Research entitled general research on the structure formation and selection rule in plasma turbulence had brought many outcomes. Based on these outcomes, the Grant-in-Aid for Scientific Research (S) program entitled general research on dynamic response and dynamic transport in plasma turbulence has started. In the present paper, the state-of-the-art of the research activities on the structure formation, selection rule and dynamics in plasma turbulence are reviewed with reference to outcomes of these projects. (author)

  8. The standard molar enthalpy of formation of a new copper(II) Schiff-base complex and its interaction with bovine serum albumin

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Jin-Qi [Hunan Provincial Key Laboratory of Xiangnan Rare-Precious Metals Compounds and Applications, Department of Chemistry and Life Science, Xiangnan University, Chenzhou 423000, Hunan (China); Li, Chuan-Hua, E-mail: lichuanhua0526@126.com [Hunan Provincial Key Laboratory of Xiangnan Rare-Precious Metals Compounds and Applications, Department of Chemistry and Life Science, Xiangnan University, Chenzhou 423000, Hunan (China); Dong, Jia-Xin [School of Chemistry and Pharmaceutical Sciences, Guangxi Normal University, Guilin 541004 (China); Qu, Wei; Pan, Lan; Peng, Meng-La; Xie, Ming-An; Tao, Xu; Yu, Cheng-Mao; Zhu, Yi; Zhang, Ping-Hua; Tang, Chun-Guang [Hunan Provincial Key Laboratory of Xiangnan Rare-Precious Metals Compounds and Applications, Department of Chemistry and Life Science, Xiangnan University, Chenzhou 423000, Hunan (China); Li, Qiang-Guo, E-mail: liqiangguo@163.com [Hunan Provincial Key Laboratory of Xiangnan Rare-Precious Metals Compounds and Applications, Department of Chemistry and Life Science, Xiangnan University, Chenzhou 423000, Hunan (China)

    2014-12-20

    Highlights: • A new copper(II) Valen Schiff-base complex was synthesized and characterized. • The standard molar enthalpy of formation of the title complex was obtained. • The interaction between the complex and bovine serum albumin was investigated. - Abstract: A new copper(II) Schiff-base complex [Cu(HL)·NO{sub 3}·MeOH] was prepared by using equivalent molar of Valen Schiff-base ligand [H{sub 2}L=N,N′-ethylene-bis(3-methoxysalicylideneimine)] and Cu(NO{sub 3}){sub 2}·3H{sub 2}O. The structure of the complex was confirmed by single-crystal X-ray diffraction. Based on an ideal and feasible thermochemical cycle, the standard molar enthalpy of formation of the complex was estimated to be: Δ{sub f}H{sub m}{sup θ} [Cu(HL)·NO{sub 3}·MeOH(s), 298.15 K] = –(945.40 ± 2.44) kJ mol{sup −1} by an advanced solution-reaction isoperibol calorimeter. In particular, the interaction between the complex and bovine serum albumin (BSA) was investigated using the fluorescence quenching method. Fluorescence quenching data showed that the quenching mechanism of BSA treated by the complex was static quenching, which was highly accord with the non-radioactive energy transfer theory. And some relevant parameters such as binding sites, binding distance and intermolecular forces between the complex and BSA were also obtained by analyzing the fluorescence spectral data.

  9. Thermodynamics and kinetics of RNA tertiary structure formation in the junctionless hairpin ribozyme.

    Science.gov (United States)

    White, Neil A; Hoogstraten, Charles G

    2017-09-01

    The hairpin ribozyme consists of two RNA internal loops that interact to form the catalytically active structure. This docking transition is a rare example of intermolecular formation of RNA tertiary structure without coupling to helix annealing. We have used temperature-dependent surface plasmon resonance (SPR) to characterize the thermodynamics and kinetics of RNA tertiary structure formation for the junctionless form of the ribozyme, in which loops A and B reside on separate molecules. We find docking to be strongly enthalpy-driven and to be accompanied by substantial activation barriers for association and dissociation, consistent with the structural reorganization of both internal loops upon complex formation. Comparisons with the parallel analysis of a ribozyme variant carrying a 2'-O-methyl modification at the self-cleavage site and with published data in other systems reveal a surprising diversity of thermodynamic signatures, emphasizing the delicate balance of contributions to the free energy of formation of RNA tertiary structure. Copyright © 2017 Elsevier B.V. All rights reserved.

  10. Crystal Structure of [Bis(L-AlaninatoDiaqua]Nickel(II Dihydrate

    Directory of Open Access Journals (Sweden)

    Awni Khatib

    2009-01-01

    Full Text Available The title complex, [Ni(C3H6O2N2(H2O2]⋅2H2O, has been prepared from nickel(II chloride in aqueous solution by adding L-alanine and potassium hydroxide. It has been crystallized from aqueous solution, and its structure was determined by X-ray structure analysis. The nickel(II ion adopts distorted octahedral coordination geometry with two bidentate L-alanine molecules and two water molecules. The complex is neutral and dihydrated. The crystal structure shows the hydrogen bonding between water and amide hydrogens within the lattice, and each fragment of the complex contains two water molecules as hydrated water. The L-alaninato ligand skeleton of the compound adopts the most stable trans-III configuration in the solid state. The alternating two five-membered chelate rings are in the stable gauche conformation.

  11. Thermal-structural response of EBR-II major components under reactor operational transients

    International Nuclear Information System (INIS)

    Chang, L.K.; Lee, M.J.

    1983-01-01

    Until recently, the LMFBR safety research has been focused primarily on severe but highly unlikely accident, such as hypothetical-core-disruptive accidents (HCDA's), and not enough attention has been given to accident prevention, which is less severe but more likely sequence. The objective of the EBR-II operational reliability testing (ORT) is to demonstrate that the reactor can be designed and operated to prevent accident. A series of mild duty cycles and overpower transients were designed for accident prevention tests. An assessment of the EBR-II major plant components has been performed to assure structural integrity of the reactor plant for the ORT program. In this paper, the thermal-structural response and structural evaluation of the reactor vessel, the reactor-vessel cover, the intermediate heat exchanger (IHX) and the superheater are presented

  12. Crack formation of steel reinforced concrete structure under stress in construction period

    Directory of Open Access Journals (Sweden)

    Hua Zhu

    2016-03-01

    Full Text Available To obtain deformation rules of steel reinforced concrete structure under stress, this study explored the crack formation in construction period. A novel structure system – steel reinforced concrete structure with shear wall and truss at the bottom was analyzed using on-the-spot test in combination with theoretical simulation analysis with SAP2000 software. It was found that, factors influencing crack formation of steel reinforced concrete structure in construction period included construction load, creep of concrete, shrinkage of concrete, displacement of bond of section steel and concrete as well as leveling. In the construction period, the simulated results and the measured results were highly fitted under the influence of time-variant characteristics such as compressive strength, elasticity modulus, creep and shrinkage. Through processing and analyzing the measured data, we obtained the development rules of crack formation of steel reinforced concrete structure with different strength grades as well as deformation rules of time-varying structure system in construction period, figured out the reason for the difference between the simulated results and the measured results, analyzed the deformation of structural components under stress in construction period and proposed some suggestions. This work is beneficial to ensure safe and high-efficient operation of construction

  13. Nonlinear soil-structure interaction analysis of SIMQUAKE II. Final report

    International Nuclear Information System (INIS)

    Vaughan, D.K.; Isenberg, J.

    1982-04-01

    This report describes an analytic method for modeling of soil-structure interaction (SSI) for nuclear power plants in earthquakes and discusses its application to SSI analyses of SIMQUAKE II. The method is general and can be used to simulate a three-dimensional structural geometry, nonlinear site characteristics and arbitrary input ground shaking. The analytic approach uses the soil island concept to reduce SSI models to manageable size and cost. Nonlinear constitutive behavior of the soil is represented by the nonlinear, kinematic cap model. In addition, a debonding-rebonding soil-structure interface model is utilized to represent nonlinear effects which singificantly alter structural response in the SIMQUAKE tests. STEALTH, an explicit finite difference code, is used to perform the dynamic, soil-structure interaction analyses. Several two-dimensional posttest SSI analyses of model containment structures in SIMQUAKE II are performed and results compared with measured data. These analyses qualify the analytic method. They also show the importance of including debonding-rebonding at the soil-structure interface. Sensitivity of structural response to compaction characteristics of backfill material is indicated

  14. Structural and spectroscopic characterization of iron(II), cobalt(II), and nickel(II) ortho-dihalophenolate complexes: insights into metal-halogen secondary bonding.

    Science.gov (United States)

    Machonkin, Timothy E; Boshart, Monica D; Schofield, Jeremy A; Rodriguez, Meghan M; Grubel, Katarzyna; Rokhsana, Dalia; Brennessel, William W; Holland, Patrick L

    2014-09-15

    Metal complexes incorporating the tris(3,5-diphenylpyrazolyl)borate ligand (Tp(Ph2)) and ortho-dihalophenolates were synthesized and characterized in order to explore metal-halogen secondary bonding in biorelevant model complexes. The complexes Tp(Ph2)ML were synthesized and structurally characterized, where M was Fe(II), Co(II), or Ni(II) and L was either 2,6-dichloro- or 2,6-dibromophenolate. All six complexes exhibited metal-halogen secondary bonds in the solid state, with distances ranging from 2.56 Å for the Tp(Ph2)Ni(2,6-dichlorophenolate) complex to 2.88 Å for the Tp(Ph2)Fe(2,6-dibromophenolate) complex. Variable temperature NMR spectra of the Tp(Ph2)Co(2,6-dichlorophenolate) and Tp(Ph2)Ni(2,6-dichlorophenolate) complexes showed that rotation of the phenolate, which requires loss of the secondary bond, has an activation barrier of ~30 and ~37 kJ/mol, respectively. Density functional theory calculations support the presence of a barrier for disruption of the metal-halogen interaction during rotation of the phenolate. On the other hand, calculations using the spectroscopically calibrated angular overlap method suggest essentially no contribution of the halogen to the ligand-field splitting. Overall, these results provide the first quantitative measure of the strength of a metal-halogen secondary bond and demonstrate that it is a weak noncovalent interaction comparable in strength to a hydrogen bond. These results provide insight into the origin of the specificity of the enzyme 2,6-dichlorohydroquinone 1,2-dioxygenase (PcpA), which is specific for ortho-dihalohydroquinone substrates and phenol inhibitors.

  15. Antibacterial, antibiofilm and antioxidant screening of copper(II)-complexes with some S-alkyl derivatives of thiosalicylic acid. Crystal structure of the binuclear copper(II)-complex with S-propyl derivative of thiosalicylic acid

    Science.gov (United States)

    Bukonjić, Andriana M.; Tomović, Dušan Lj.; Nikolić, Miloš V.; Mijajlović, Marina Ž.; Jevtić, Verica V.; Ratković, Zoran R.; Novaković, Slađana B.; Bogdanović, Goran A.; Radojević, Ivana D.; Maksimović, Jovana Z.; Vasić, Sava M.; Čomić, Ljiljana R.; Trifunović, Srećko R.; Radić, Gordana P.

    2017-01-01

    The spectroscopically predicted structure of the obtained copper(II)-complex with S-propyl derivative of thiosalicylic acid was confirmed by X-ray structural study. The binuclear copper(II)-complex with S-propyl derivative of thiosalicylic acid crystallized in two polymorphic forms with main structural difference in the orientation of phenyl rings relative to corresponding carboxylate groups. The antibacterial activity was tested determining the minimum inhibitory concentration (MIC) and the minimum bactericidal concentration (MBC) by using microdilution method. The influence on bacterial biofilm formation was determined by tissue culture plate method. In general, the copper(II)-complexes manifested a selective and moderate activity. The most sensitive bacteria to the effects of Cu(II)-complexes was a clinical isolate of Pseudomonas aeruginosa. For this bacteria MIC and biofilm inhibitory concentration (BIC) values for all tested complexes were in the range or better than the positive control, doxycycline. Also, for the established biofilm of clinical isolate Staphylococcus aureus, BIC values for the copper(II)-complex with S-ethyl derivative of thiosalicylic acid,[Cu2(S-et-thiosal)4(H2O)2] (C3) and copper(II)-complex with S-butyl derivative of thiosalicylic acid, [Cu2(S-bu-thiosal)4(H2O)2] (C5) were in range or better than the positive control. All the complexes acted better against Gram-positive bacteria (Staphylococcus aureus and Staphylococcus aureus ATCC 25923) than Gram-negative bacteria (Proteus mirabilis ATCC 12453, Pseudomonas aeruginosa, and P. aeruginosa ATCC 27855). The complexes showed weak antioxidative properties tested by two methods (1,1-diphenyl-2-picrylhydrazyl (DPPH) and reducing power assay).

  16. Spontaneous structure formation in a network of chaotic units with variable connection strengths.

    Science.gov (United States)

    Ito, Junji; Kaneko, Kunihiko

    2002-01-14

    As a model of temporally evolving networks, we consider a globally coupled logistic map with variable connection weights. The model exhibits self-organization of network structure, reflected by the collective behavior of units. Structural order emerges even without any interunit synchronization of dynamics. Within this structure, units spontaneously separate into two groups whose distinguishing feature is that the first group possesses many outwardly directed connections to the second group, while the second group possesses only a few outwardly directed connections to the first. The relevance of the results to structure formation in neural networks is briefly discussed.

  17. Microsized structures assisted nanostructure formation on ZnSe wafer by femtosecond laser irradiation

    International Nuclear Information System (INIS)

    Wang, Shutong; Feng, Guoying; Zhou, Shouhuan

    2014-01-01

    Micro/nano patterning of ZnSe wafer is demonstrated by femtosecond laser irradiation through a diffracting pinhole. The irradiation results obtained at fluences above the ablation threshold are characterized by scanning electron microscopy. The microsized structure with low spatial frequency has a good agreement with Fresnel diffraction theory. Laser induced periodic surface structures and laser-induced periodic curvelet surface structures with high spatial frequency have been found on the surfaces of microsized structures, such as spikes and valleys. We interpret its formation in terms of the interference between the reflected laser field on the surface of the valley and the incident laser pulse

  18. S-Substituted cysteine derivatives and thiosulfinate formation in Petiveria alliacea-part II.

    Science.gov (United States)

    Kubec, Roman; Kim, Seokwon; Musah, Rabi A

    2002-11-01

    Three cysteine derivatives, (R)-S-(2-hydroxyethyl)cysteine, together with (R(S)R(C))- and (S(S)R(C))-S-(2-hydroxyethyl)cysteine sulfoxides, have been isolated from the roots of Petiveria alliacea. Furthermore, three additional amino acids, S-methyl-, S-ethyl-, and S-propylcysteine derivatives, were detected. They were present only in trace amounts (<3 microg g(-1) fr. wt), precluding determination of their absolute configurations and oxidation states. In addition, four thiosulfinates, S-(2-hydroxyethyl) (2-hydroxyethane)-, S-(2-hydroxyethyl) phenylmethane-, S-benzyl (2-hydroxyethane)- and S-benzyl phenylmethanethiosulfinates, have been found in a homogenate of the roots. The formation pathways of various benzyl/phenyl-containing compounds previously found in the plant were also discussed.

  19. Uptake and Release of Cerium During Fe-Oxide Formation and Transformation in Fe(II) Solutions

    DEFF Research Database (Denmark)

    Nedel, Sorin; Dideriksen, Knud; Christiansen, Bo C.

    2010-01-01

    of trace components. Further, Fe(II)-Fe(III) (hydr)oxides are redox active. Cerium, a member of the lanthanide family, can be used as an analogue for the tri- and tetra-valent actinides found in radioactive waste, expected to be stored in subsurface repositories. In experiments with ferrihydrite, Ce...... microscopy revealed that it formed discrete nanocrystals of CeO2(s). These results demonstrate that Fe-oxide interaction with radionuclides is likely to depend strongly on the local redox conditions. By analogy with Ce, the trivalent actinides are not expected to be sequestered by preformed GR in anoxic...... environments. Our results also suggest that trivalent actinides and lanthanides are released when dissimilatory iron reduction of Fe(III)-oxides leads to GR formation However, under oxidizing conditions, GR may influence radionuclide mobility by catalyzing their transformation to a higher oxidation state....

  20. MAPPING THE SHORES OF THE BROWN DWARF DESERT. II. MULTIPLE STAR FORMATION IN TAURUS-AURIGA

    International Nuclear Information System (INIS)

    Kraus, Adam L.; Ireland, Michael J.; Martinache, Frantz; Hillenbrand, Lynne A.

    2011-01-01

    We have conducted a high-resolution imaging study of the Taurus-Auriga star-forming region in order to characterize the primordial outcome of multiple star formation and the extent of the brown dwarf desert. Our survey identified 16 new binary companions to primary stars with masses of 0.25-2.5 M sun , raising the total number of binary pairs (including components of high-order multiples) with separations of 3-5000 AU to 90. We find that ∼2/3-3/4 of all Taurus members are multiple systems of two or more stars, while the other ∼1/4-1/3 appear to have formed as single stars; the distribution of high-order multiplicity suggests that fragmentation into a wide binary has no impact on the subsequent probability that either component will fragment again. The separation distribution for solar-type stars (0.7-2.5 M sun ) is nearly log-flat over separations of 3-5000 AU, but lower-mass stars (0.25-0.7 M sun ) show a paucity of binary companions with separations of ∼>200 AU. Across this full mass range, companion masses are well described with a linear-flat function; all system mass ratios (q = M B /M A ) are equally probable, apparently including substellar companions. Our results are broadly consistent with the two expected modes of binary formation (free-fall fragmentation on large scales and disk fragmentation on small scales), but the distributions provide some clues as to the epochs at which the companions are likely to form.

  1. 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.

  2. Star Formation Histories of the LEGUS Dwarf Galaxies. I. Recent History of NGC 1705, NGC 4449, and Holmberg II

    Science.gov (United States)

    Cignoni, M.; Sacchi, E.; Aloisi, A.; Tosi, M.; Calzetti, D.; Lee, J. C.; Sabbi, E.; Adamo, A.; Cook, D. O.; Dale, D. A.; Elmegreen, B. G.; Gallagher, J. S., III; Gouliermis, D. A.; Grasha, K.; Grebel, E. K.; Hunter, D. A.; Johnson, K. E.; Messa, M.; Smith, L. J.; Thilker, D. A.; Ubeda, L.; Whitmore, B. C.

    2018-03-01

    We use Hubble Space Telescope observations from the Legacy Extragalactic UV Survey to reconstruct the recent star formation histories (SFHs) of three actively star-forming dwarf galaxies, NGC 4449, Holmberg II, and NGC 1705, from their UV color–magnitude diagrams (CMDs). We apply a CMD fitting technique using two independent sets of stellar isochrones, PARSEC-COLIBRI and MIST, to assess the uncertainties related to stellar evolution modeling. Irrespective of the adopted stellar models, all three dwarfs are found to have had almost constant star formation rates (SFRs) in the last 100–200 Myr, with modest enhancements (a factor of ∼2) above the 100 Myr averaged SFR. Significant differences among the three dwarfs are found in terms of the overall SFR, the timing of the most recent peak, and the SFR/area. The initial mass function of NGC 1705 and Holmberg II is consistent with a Salpeter slope down to ≈5 M ⊙, whereas it is slightly flatter, s = ‑2.0, in NGC 4449. The SFHs derived with the two different sets of stellar models are consistent with each other, except for some quantitative details, attributable to their input assumptions. They also share the drawback that all synthetic diagrams predict a clear separation in color between the upper main-sequence and helium-burning stars, which is not apparent in the data. Since neither differential reddening, which is significant in NGC 4449, nor unresolved binaries appear to be sufficient to fill the gap, we suggest this calls for a revision of both sets of stellar evolutionary tracks. Based on observations obtained with the NASA/ESA Hubble Space Telescope at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy under NASA Contract NAS 5-26555.

  3. A Cultural Psychological Approach to Analyze Intercultural Learning: Potential and Limits of the Structure Formation Technique

    Directory of Open Access Journals (Sweden)

    Doris Weidemann

    2009-01-01

    Full Text Available Despite the huge interest in sojourner adjustment, there is still a lack of qualitative as well as of longitudinal research that would offer more detailed insights into intercultural learning processes during overseas stays. The present study aims to partly fill that gap by documenting changes in knowledge structures and general living experiences of fifteen German sojourners in Taiwan in a longitudinal, cultural-psychological study. As part of a multimethod design a structure formation technique was used to document subjective theories on giving/losing face and their changes over time. In a second step results from this study are compared to knowledge-structures of seven long-term German residents in Taiwan, and implications for the conceptualization of intercultural learning will be proposed. Finally, results from both studies serve to discuss the potential and limits of structure formation techniques in the field of intercultural communication research. URN: urn:nbn:de:0114-fqs0901435

  4. Evaluation of the NCPDP Structured and Codified Sig Format for e-prescriptions.

    Science.gov (United States)

    Liu, Hangsheng; Burkhart, Q; Bell, Douglas S

    2011-01-01

    To evaluate the ability of the structure and code sets specified in the National Council for Prescription Drug Programs Structured and Codified Sig Format to represent ambulatory electronic prescriptions. We parsed the Sig strings from a sample of 20,161 de-identified ambulatory e-prescriptions into variables representing the fields of the Structured and Codified Sig Format. A stratified random sample of these representations was then reviewed by a group of experts. For codified Sig fields, we attempted to map the actual words used by prescribers to the equivalent terms in the designated terminology. Proportion of prescriptions that the Format could fully represent; proportion of terms used that could be mapped to the designated terminology. The fields defined in the Format could fully represent 95% of Sigs (95% CI 93% to 97%), but ambiguities were identified, particularly in representing multiple-step instructions. The terms used by prescribers could be codified for only 60% of dose delivery methods, 84% of dose forms, 82% of vehicles, 95% of routes, 70% of sites, 33% of administration timings, and 93% of indications. The findings are based on a retrospective sample of ambulatory prescriptions derived mostly from primary care physicians. The fields defined in the Format could represent most of the patient instructions in a large prescription sample, but prior to its mandatory adoption, further work is needed to ensure that potential ambiguities are addressed and that a complete set of terms is available for the codified fields.

  5. Model tool to describe chemical structures in XML format utilizing structural fragments and chemical ontology.

    Science.gov (United States)

    Sankar, Punnaivanam; Alain, Krief; Aghila, Gnanasekaran

    2010-05-24

    We have developed a model structure-editing tool, ChemEd, programmed in JAVA, which allows drawing chemical structures on a graphical user interface (GUI) by selecting appropriate structural fragments defined in a fragment library. The terms representing the structural fragments are organized in fragment ontology to provide a conceptual support. ChemEd describes the chemical structure in an XML document (ChemFul) with rich semantics explicitly encoding the details of the chemical bonding, the hybridization status, and the electron environment around each atom. The document can be further processed through suitable algorithms and with the support of external chemical ontologies to generate understandable reports about the functional groups present in the structure and their specific environment.

  6. The Formation of a Core Periphery Structure in Heterogeneous Financial Networks

    OpenAIRE

    Marco van der Leij; Daan in 't Veld; Cars Hommes

    2014-01-01

    Recent empirical evidence suggests that financial networks exhibit a core periphery network structure. This paper aims at giving an economic explanation for the emergence of such a structure using network formation theory. Focusing on intermediation benefits, we find that a core periphery network cannot be unilaterally stable when agents are homogeneous. The best-response dynamics converge to a unique unilaterally stable outcome ranging from an empty to denser networks as the costs of linking...

  7. Permian plants from the Chutani Formation (Titicaca Group, Northern Altiplano of Bolivia: II. The morphogenus Glossopteris

    Directory of Open Access Journals (Sweden)

    Roberto Iannuzzi

    2004-03-01

    Full Text Available Fossil plants belonging to the morphogenera Glossopteris, Pecopteris and Asterotheca were collected from the upper part of the Chutani Formation (Titicaca Group, near the town of San Pablo de Tiquina, on the southeastern shore of Lake Titicaca (northern Altiplano, Bolivia. This paper presents the first description of specimens of the morphogenus Glossopteris from Bolivia. The Bolivian specimens of Glossopteris consist of poorly-preserved impressions, although they present the diagnostic features of this morphogenus. They are fragments of leaves with secondary veins of taeniopterid-type, typical of glossopterids from Late Permian deposits of Gondwana. The only species of Pecopteris confirmed in the first part of this study, i.e. P. dolianitii Rösler and Rohn (see Vieira et al. 2004, was previously reported from the Late Permian beds of the Rio do Rasto and Estrada Nova formations in the Paraná Basin (southern Brazil. Therefore, a Late Permian age is proposed for the fossil plant-bearing beds of the Chutani Formation based on the analyzed assemblage. The phytogeographic implications of this new find are briefly analyzed.Plantas fósseis, pertencentes aos morfo-gêneros Glossopteris, Pecopteris e Asterotheca, foram coletadas na porção superior da seção aflorante da Formação Chutani, próxima ao povoado de San Pablo de Tiquina, sudeste do lago Titicaca (Altiplano norte, Bolívia. Este trabalho apresenta a primeira descrição de espécimes do morfo-gênero Glossopteris provenientes da Bolívia. Os espécimes estudados de Glossopteris consistem em impressões foliares pobremente preservadas nas quais feições diagnósticas estão presentes. Os fragmentos foliares apresentam venação secundária do tipo teniopteróide, uma característica típica de glossopterídeas encontradas em depósitos do Permiano Superior do Gondwana. Por sua vez, a única espécie de Pecopteris confirmada para estes níveis da Formação Chutani, i.e. P. dolianitii

  8. Synthesis, molecular structure, biological properties and molecular docking studies on Mn(II), Co(II) and Zn(II) complexes containing bipyridine-azide ligands.

    Science.gov (United States)

    Thamilarasan, Vijayan; Jayamani, Arumugam; Sengottuvelan, Nallathambi

    2015-01-07

    Metal complexes of the type Mn(bpy)2(N3)2 (1), Co(bpy)2(N3)2·3H2O (2) and Zn2(bpy)2(N3)4 (3) (Where bpy = 2,2-bipyridine) have been synthesized and characterized by elemental analysis and spectral (FT-IR, UV-vis) studies. The structure of complexes (1-3) have been determined by single crystal X-ray diffraction studies and the configuration of ligand-coordinated metal(II) ion was well described as distorted octahedral coordination geometry for Mn(II), Co(II) and distorted square pyramidal geometry for Zn(II) complexes. DNA binding interaction of these complexes (1-3) were investigated by UV-vis absorption, fluorescence circular dichroism spectral and molecular docking studies. The intrinsic binding constants Kb of complexes 1, 2 and 3 with CT-DNA obtained from UV-vis absorption studies were 8.37 × 10(4), 2.23 × 10(5) and 5.52 × 10(4) M(-1) respectively. The results indicated that the three complexes are able to bind to DNA with different binding affinity, in the order 2 > 1 > 3. Complexes (1-3) exhibit a good binding propensity to bovine serum albumin (BSA) proteins having relatively high binding constant values. Gel electrophoresis assay demonstrated the ability of the complexes 1-3 promote the cleavage ability of the pBR322 plasmid DNA in the presence of the reducing agent 3-mercaptopropionic acid (MPA) but with different cleavage mechanisms: the complex 3 cleaves DNA via hydrolytic pathway (T4 DNA ligase assay), while the DNA cleavage by complexes 1 and 2 follows oxidative pathway. The chemical nuclease activity follows the order: 2 > 1 > 3. The effects of various activators were also investigated and the nuclease activity efficacy followed the order MPA > GSH > H2O2 > Asc. The cytotoxicity studies of complexes 1-3 were tested in vitro on breast cancer cell line (MCF-7) and they found to be active. Copyright © 2014. Published by Elsevier Masson SAS.

  9. Chemical evolution in the early phases of massive star formation. II. Deuteration

    Science.gov (United States)

    Gerner, T.; Shirley, Y. L.; Beuther, H.; Semenov, D.; Linz, H.; Albertsson, T.; Henning, Th.

    2015-07-01

    The chemical evolution in high-mass star-forming regions is still poorly constrained. Studying the evolution of deuterated molecules allows distinguishing between subsequent stages of high-mass star formation regions based on the strong temperature dependence of deuterium isotopic fractionation. We observed a sample of 59 sources including 19 infrared dark clouds, 20 high-mass protostellar objects, 11 hot molecular cores and 9 ultra-compact Hii regions in the (3-2) transitions of the four deuterated molecules, DCN, DNC, DCO+, and N2D+ as well as their non-deuterated counterparts. The overall detection fraction of DCN, DNC, and DCO+ is high and exceeds 50% for most of the stages. N2D+ was only detected in a few infrared dark clouds and high-mass protostellar objects. This may be related to problems in the bandpass at the transition frequency and to low abundances in the more evolved, warmer stages. We find median D/H ratios of 0.02 for DCN, 0.005 for DNC, 0.0025 for DCO+, and 0.02 for N2D+. While the D/H ratios of DNC, DCO+, and N2D+ decrease with time, DCN/HCN peaks at the hot molecular core stage. We only found weak correlations of the D/H ratios for N2D+ with the luminosity of the central source and the FWHM of the line, and no correlation with the H2 column density. In combination with a previously observed set of 14 other molecules (Paper I), we fitted the calculated column densities with an elaborate 1D physico-chemical model with time-dependent D-chemistry including ortho- and para-H2 states. Good overall fits to the observed data were obtained with the model. This is one of the first times that observations and modeling were combined to derive chemically based best-fit models for the evolution of high-mass star formation including deuteration. Appendix A is available in electronic form at http://www.aanda.org

  10. Using the Structured Product Labeling format to index versatile chemical data (ACS Spring meeting)

    Science.gov (United States)

    Structured Product Labeling (SPL) is a document markup standard approved by the Health Level Seven (HL7) standards organization and adopted by the FDA as a mechanism for exchanging product and facility information. Product information provided by companies in SPL format may be ac...

  11. Hierarchical formation of large scale structures of the Universe: observations and models

    International Nuclear Information System (INIS)

    Maurogordato, Sophie

    2003-01-01

    In this report for an Accreditation to Supervise Research (HDR), the author proposes an overview of her research works in cosmology. These works notably addressed the large scale distribution of the Universe (with constraints on the scenario of formation, and on the bias relationship, and the structuring of clusters), the analysis of galaxy clusters during coalescence, mass distribution within relaxed clusters [fr

  12. Structural and quantitative aspects of radical formation after heavy ion bombardment

    Energy Technology Data Exchange (ETDEWEB)

    Dusemund, B.; Hoffmann, A.K.; Weiland, B.; Huettermann, J. [Klinikum Homburg (Germany). Fachrichtung Biophysik

    1997-09-01

    In this report the authors present a summary of their recent attempts aiming at clarifying some basic structural and quantitative aspects of free radical formation in DNA constituents and in DNA as well as of product analysis from nucleotide model compounds. (orig./MG)

  13. Towards the understanding of structure formation and dynamics in bio-nano systems

    DEFF Research Database (Denmark)

    Yakubovich, Alexander V.; Solov'yov, Ilia; Solov'yov, Andrey V.

    2008-01-01

    This paper gives an overview of a number of key structure formation processes involving the well known biomolecular and nano objects such as fullerenes, nanotubes, polypeptides, proteins and DNA molecules. We formulate the problems, describe the main experimental observations and theoretical...

  14. MMTF-An efficient file format for the transmission, visualization, and analysis of macromolecular structures.

    Directory of Open Access Journals (Sweden)

    Anthony R Bradley

    2017-06-01

    Full Text Available Recent advances in experimental techniques have led to a rapid growth in complexity, size, and number of macromolecular structures that are made available through the Protein Data Bank. This creates a challenge for macromolecular visualization and analysis. Macromolecular structure files, such as PDB or PDBx/mmCIF files can be slow to transfer, parse, and hard to incorporate into third-party software tools. Here, we present a new binary and compressed data representation, the MacroMolecular Transmission Format, MMTF, as well as software implementations in several languages that have been developed around it, which address these issues. We describe the new format and its APIs and demonstrate that it is several times faster to parse, and about a quarter of the file size of the current standard format, PDBx/mmCIF. As a consequence of the new data representation, it is now possible to visualize structures with millions of atoms in a web browser, keep the whole PDB archive in memory or parse it within few minutes on average computers, which opens up a new way of thinking how to design and implement efficient algorithms in structural bioinformatics. The PDB archive is available in MMTF file format through web services and data that are updated on a weekly basis.

  15. New insight into the formation of structural defects in poly(vinyl chloride)

    NARCIS (Netherlands)

    Purmova, J; Pauwels, KFD; van Zoelen, W; Vorenkamp, EJ; Schouten, AJ; Coote, ML; Pauwels, Kim F.D.; Coote, Michelle L.

    2005-01-01

    The monomer conversion dependence of the formation of the various types of defect structures in radical suspension polymerization of vinyl chloride was examined via both H-1 and C-13 NMR spectrometry. The rate coefficients for model propagation and intra- and intermolecular hydrogen abstraction

  16. FORMATION OF TOILET HABITS IN CHILDREN IN MOSCOW. RETROSPECTIVE STUDY RESULTS. PART II

    Directory of Open Access Journals (Sweden)

    G. A. Karkashadze

    2013-01-01

    Full Text Available The results of the first Russian study of toilet habits formation in children have been obtained. The article was planned to be published in 2 subsequent parts due to the extensiveness of the material. This article is the 2nd part*. It presents and comments on the remaining part of results in the form of the connection between main parameters and characteristics of toilet habits training processes and physiological, psychological and social factors; it also presents the discussion and conclusions. Comparative data (with foreign studies is given. A multitude of both physiological and social factors affect the process of children’s toilet habits training. The following physiological factors have been revealed: stool frequency, physiological involuntary night urination, peculiarities of falling asleep and pernicious habits – processes, which reflect the intestinal motility regulation and defecation states, urination control and neuropsychic activity. The selected training strategy and tactics, style of communication with a child also affect the training process. The most influential family-social factors in terms of toilet habits training processes are: two- or one-parent family, mother’s education and twins in the family. 

  17. The massive star population in M101. II. Spatial variations in the recent star formation history

    Energy Technology Data Exchange (ETDEWEB)

    Grammer, Skyler; Humphreys, Roberta M., E-mail: grammer@astro.umn.edu, E-mail: roberta@umn.edu [Minnesota Institute for Astrophysics, 116 Church Street SE, University of Minnesota, Minneapolis, MN 55455 (United States)

    2014-09-01

    We investigate star formation history (SFH) as a function of radius in M101 using archival Hubble Space Telescope Advanced Camera for Surveys photometry. We derive the SFH from the resolved stellar populations in five 2' wide annuli. Binning the SFH into time frames corresponding to stellar populations traced by Hα, far-ultraviolet, and near-ultraviolet emission, we find that the fraction of stellar populations young enough to contribute in Hα is 15%-35% in the inner regions, compared to less than 5% in the outer regions. This provides a sufficient explanation for the lack of Hα emission at large radii. We also model the blue to red supergiant ratio in our five annuli, examine the effects that a metallicity gradient and variable SFH have on the predicted ratios, and compare to the observed values. We find that the radial behavior of our modeled blue to red supergiant ratios is highly sensitive to both spatial variations in the SFH and metallicity. Incorporating the derived SFH into modeled ratios, we find that we are able to reproduce the observed values at large radii (low metallicity), but at small radii (high metallicity) the modeled and observed ratios are discrepant.

  18. World War II and other historical influences on the formation of the Ergonomics Research Society.

    Science.gov (United States)

    Waterson, Patrick

    2011-12-01

    Little has been written about wartime ergonomics and the role this played in prompting the need for a society dedicated to ergonomics within the UK, namely the formation of the Ergonomics Research Society (ERS) in early 1950. This article aims to fill this gap in our understanding of the history of ergonomics in the UK and provide further details of the types of research undertaken by wartime research groups and committees such as the Institute of Aviation Medicine, Medical Research Council Applied Psychology Unit and the Flying Personnel Research Committee. In addition, the role of societal developments such as wartime links with the USA, the post-war drive to increase productivity and collaboration with industry and the recommendations of government committees in stimulating the work of the ERS are described in detail. This article also offers some reflection on present-day ergonomics in the UK and how this contrasts with the past. STATEMENT OF RELEVANCE: This article will provide practitioners with a historical perspective on the development of ergonomics from its roots in the Second World War. These developments shed light on current trends and challenges within the discipline as a whole.

  19. Formation, atomic structure, and electronic properties of GaSb quantum dots in GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Timm, R.

    2007-12-14

    In this work, cross-sectional scanning tunneling microscopy and spectroscopy are used for the first time to study the shape, size, strain, chemical composition, and electronic properties of capped GaSb/GaAs QDs at the atomic scale. By evaluating such structural results on a variety of nanostructures built using different epitaxy methods and growth conditions, details on the underlying QD formation processes can be revealed. A cross-over from flat quantum wells (QWs) to optically active QDs can be observed in samples grown by metalorganic chemical vapor deposition (MOCVD) with increasing amount of GaSb, including self-assembled Sb accumulations within a still two-dimensional layer and tiny three-dimensional GaSb islands probably acting as precursor structures. The QWs consist of significantly intermixed material with stoichiometries of maximally 50% GaSb, additionally exhibiting small gaps filled with GaAs. A higher GaSb content up to nearly pure material is found in the QDs, being characterized by small sizes of up to 8 nm baselength and about 2 nm height. In spite of the intermixing, all nanostructures have rather abrupt interfaces, and no significant Sb segregation in growth direction is observed. This changes completely when molecular beam epitaxy (MBE) is used as growth method, in which case individual Sb atoms are found to be distributed over several nm above the nanostructures. Massive group-V atomic exchange processes are causing this strong inter-mixing and Sb segregation during GaAs overgrowth. In combination with the large strain inherent to GaSb/GaAs QDs, this segregation upon overgrowth is assumed to be the reason for a unique structural phenomenon: All MBE-grown QDs, independent of the amount of deposited GaSb, exhibit a ring structure, consisting of a ring body of high GaSb content and a more or less extended central gap filled with GaAs. These rings have formed in a self-assembled way even when the initial GaSb layer was overgrown considerably fast

  20. Assigning the EPR Fine Structure Parameters of the Mn(II) Centers in Bacillus subtilis Oxalate Decarboxylase by Site-Directed Mutagenesis and DFT/MM Calculations

    Science.gov (United States)

    2015-01-01

    Oxalate decarboxylase (OxDC) catalyzes the Mn-dependent conversion of the oxalate monoanion into CO2 and formate. EPR-based strategies for investigating the catalytic mechanism of decarboxylation are complicated by the difficulty of assigning the signals associated with the two Mn(II) centers located in the N- and C-terminal cupin domains of the enzyme. We now report a mutational strategy that has established the assignment of EPR fine structure parameters to each of these Mn(II) centers at pH 8.5. These experimental findings are also used to assess the performance of a multistep strategy for calculating the zero-field splitting parameters of protein-bound Mn(II) ions. Despite the known sensitivity of calculated D and E values to the computational approach, we demonstrate that good estimates of these parameters can be obtained using cluster models taken from carefully optimized DFT/MM structures. Overall, our results provide new insights into the strengths and limitations of theoretical methods for understanding electronic properties of protein-bound Mn(II) ions, thereby setting the stage for future EPR studies on the electronic properties of the Mn(II) centers in OxDC and site-specific variants. PMID:24444454

  1. Synthesis and Crystal Structures of Ni(II)/(III) and Zn(II) Complexes with Schiff Base Ligands

    International Nuclear Information System (INIS)

    Koo, Bon Kweon

    2013-01-01

    Coordination polymers are of great interest due to their intriguing structural motifs and potential applications in optical, electronic, magnetic, and porous materials. The most commonly used strategy for designing such materials relies on the utilization of multidentate N- or Odonor ligands which have the capacity to bridge between metal centers to form polymeric structures. The Schiff bases with N,O,S donor atoms are an useful source as they are readily available and easily form stable complexes with most transition metal ions. Schiff bases are also important intermediates in synthesis of some bioactive compounds and are potent anti-bacterial, anti-fungal, anticancer and antiviral compounds. In this work, the Schiff bases, Hapb and Hbpb, derived from 2-acetylpyridene or 2-benzoylpyridine and benzhydrazide were taken as trifunctional (N,N,O) monobasic ligand (Scheme 1). This ligand is of important because the π-delocalization of charge and the configurational flexibility of their molecular chain can give rise to a great variety of coordination modes. Although many metal.Schiff base complexes have been reported, the 1D, 2D, and 3D networks of coordination polymers linked through the bridging of ligands such as dicyanamide, N(CN) 2 - as coligand have been little published. In the process of working to extend the dimensionality of the metal-Schiff base complexes using benzilic acid as a bridging ligand, we obtained three simple metal (II)/(III) complexes of acetylpyridine/2-benzoyl pyridine based benzhydrazide ligand. Therefore, we report here the synthesis and crystal structures of the complexes

  2. Synthesis and Crystal Structures of Ni(II)/(III) and Zn(II) Complexes with Schiff Base Ligands

    Energy Technology Data Exchange (ETDEWEB)

    Koo, Bon Kweon [Catholic Univ., of Daegu, Daegu (Korea, Republic of)

    2013-12-15

    Coordination polymers are of great interest due to their intriguing structural motifs and potential applications in optical, electronic, magnetic, and porous materials. The most commonly used strategy for designing such materials relies on the utilization of multidentate N- or Odonor ligands which have the capacity to bridge between metal centers to form polymeric structures. The Schiff bases with N,O,S donor atoms are an useful source as they are readily available and easily form stable complexes with most transition metal ions. Schiff bases are also important intermediates in synthesis of some bioactive compounds and are potent anti-bacterial, anti-fungal, anticancer and antiviral compounds. In this work, the Schiff bases, Hapb and Hbpb, derived from 2-acetylpyridene or 2-benzoylpyridine and benzhydrazide were taken as trifunctional (N,N,O) monobasic ligand (Scheme 1). This ligand is of important because the π-delocalization of charge and the configurational flexibility of their molecular chain can give rise to a great variety of coordination modes. Although many metal.Schiff base complexes have been reported, the 1D, 2D, and 3D networks of coordination polymers linked through the bridging of ligands such as dicyanamide, N(CN){sub 2}{sup -} as coligand have been little published. In the process of working to extend the dimensionality of the metal-Schiff base complexes using benzilic acid as a bridging ligand, we obtained three simple metal (II)/(III) complexes of acetylpyridine/2-benzoyl pyridine based benzhydrazide ligand. Therefore, we report here the synthesis and crystal structures of the complexes.

  3. STUDY ON SYNTHESIS AND CRYSTAL STRUCTURE OF TETRAKIS-(μ2-ACETATO-DIHYDRATE-DICOPPER(II

    Directory of Open Access Journals (Sweden)

    LI-HUA WANG

    2015-10-01

    Full Text Available A new binuclear Cu(II complex, tetrakis-(μ2-acetato-dihydrate-dicopper (II, has been prepared by the reaction of Cu(OAc2·H2O with 2-formyl-benzenesulfonate-hydrazine in the CH3CH2OH/H2O (v : v = 1 : 1. It was characterized by elemental analysis, IR and X-ray single crystal diffraction analysis. The crystal of the Cu(II complex belongs to monoclinic, space group C2/c with a = 13.162(3 Å, b = 8.5572(17 Å, c = 13.860(3 Å, β = 117.06(3 º, V = 1390.1(5 Å3, Z = 4, Dc = 1.889 μg·m-3, μ = 3.103 mm-1, F(000 = 792, and final R1 = 0.0548, wR2 = 0.1410. Two Cu(II centers are bridged by oxygen atoms of carboxylato groups. Each Cu(II center is five-coordinated with four O donor atoms of acetate and a O donor of coordinated water molecule. The molecules form three dimensional network structures by the inaction of π-π stacking and hydrogen bonds.

  4. Structural and IR-spectroscopic characterization of cadmium and lead(II) acesulfamates

    Energy Technology Data Exchange (ETDEWEB)

    Echeverria, Gustavo A.; Piro, Oscar E. [Univ. Nacional de La Plata (Argentina). Dept. de Fisica y Inst. IFLP (CONICET- CCT-La Plata); Parajon-Costa, Beatriz S.; Baran, Enrique J. [Univ. Nacional de La Plata (Argentina). Centro de Quimica Inorganica (CEQUINOR/CONICET- CCT-La Plata)

    2017-07-01

    Cadmium and lead(II) acesulfamate, Cd(C{sub 4}H{sub 4}NO{sub 4}S){sub 2} . 2H{sub 2}O and Pb(C{sub 4}H{sub 4}NO{sub 4}S){sub 2}, were prepared by the reaction of acesulfamic acid and the respective metal carbonates in aqueous solution, and characterized by elemental analysis. Their crystal structures were determined by single crystal X-ray diffraction methods. The Cd(II) compound crystallizes in the monoclinic space group P2{sub 1}/c with Z=4 and the corresponding Pb(II) salt in the triclinic space group P anti 1 with Z=2. In both salts, acesulfamate acts both as a bi-dentate ligand through its nitrogen and carbonyl oxygen atoms and also as a mono-dentate ligand through this same oxygen atom, giving rise to polymeric structures; in the Pb(II) salt the ligand also binds the cation through its sulfoxido oxygen atoms. The FTIR spectra of the compounds were recorded and are briefly discussed. Some comparisons with other related acesulfamate and saccharinate complexes are made.

  5. SYNTHESIS AND CRYSTAL STRUCTURE OF A Mg(II COMPLEX WITH 2,6-PYRIDINEDICARBOXYLIC ACID

    Directory of Open Access Journals (Sweden)

    XI-SHI TAI

    2015-05-01

    Full Text Available A Mg(II complex, [MgL·(H2O3]·2H2O (H2L = 2,6-pyridinedicarboxylic acid, has been synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction analysis. The Mg(II complex belongs to monoclinic, space group P21/n with a = 8.9318(18 Å, b = 10.002(2 Å, c = 13.290(3 Å, β = 96.86(3º, V= 1178.8(4 Å3, Z = 4, Dc = 1.575 mg·m-3, μ = 0.192 mm-1, F(000 = 584, and final R1 = 0.0349, ωR2 = 0.1212. Structural analysis shows that the Mg(II center is six-coordination with a NO5 distorted octahedral coordination environment. The Mg(II complex forms 1D chain structure by the interaction of hydrogen bonds and π-π stacking.

  6. Meta-Analysis of the Factor Structures of the Beck Depression Inventory-II.

    Science.gov (United States)

    Huang, Chiungjung; Chen, Jyun-Hong

    2015-08-01

    Two meta-analyses examined the factor structure of the Beck Depression Inventory-II (BDI-II). Study 1, which meta-analyzed 51 studies comprising 62 samples (N = 20,475) providing pattern matrices, determined that the two-factor solution comprising Cognitive and Somatic-Affective factors was supported for the full sample. The two-factor solution was also supported for subgroups of studies. As the factor structure varied somewhat between subgroups of studies, the strength of relationships between scale items and their underlying depressive symptoms varied. Hence, comparisons of mean BDI-II scores across subgroups can be misleading. Study 2 meta-analyzed 13 studies consisting of 16 samples (N = 5,128) providing covariance matrices among the 21 BDI-II items. The two-factor solution was again supported in Study 2. Nevertheless, the existence of a general depression factor was supported by the good fit of the one-factor model. © The Author(s) 2014.

  7. ROTATING STARS AND THE FORMATION OF BIPOLAR PLANETARY NEBULAE. II. TIDAL SPIN-UP

    Energy Technology Data Exchange (ETDEWEB)

    García-Segura, G. [Instituto de Astronomía, Universidad Nacional Autónoma de Mexico, Km. 103 Carr. Tijuana-Ensenada, 22860, Ensenada, B. C. (Mexico); Villaver, E. [Departamento de Física Teórica, Universidad Autónoma de Madrid, Cantoblanco, E-28049 Madrid (Spain); Manchado, A. [Instituto de Astrofísica de Canarias, Via Láctea s/n, E-38200 La Laguna, Tenerife (Spain); Langer, N. [Argelander-Institut für Astronomie, Universität Bonn, D-53121 Bonn (Germany); Yoon, S.-C., E-mail: ggs@astrosen.unam.mx [Astronomy Program, Department of Physics and Astronomy, Seoul National University, Seoul, 151-747 (Korea, Republic of)

    2016-06-01

    We present new binary stellar evolution models that include the effects of tidal forces, rotation, and magnetic torques with the goal of testing planetary nebulae (PNs) shaping via binary interaction. We explore whether tidal interaction with a companion can spin-up the asymptotic giant brach (AGB) envelope. To do so, we have selected binary systems with main-sequence masses of 2.5 M {sub ⊙} and 0.8 M {sub ⊙} and evolve them allowing initial separations of 5, 6, 7, and 8 au. The binary stellar evolution models have been computed all the way to the PNs formation phase or until Roche lobe overflow (RLOF) is reached, whatever happens first. We show that with initial separations of 7 and 8 au, the binary avoids entering into RLOF, and the AGB star reaches moderate rotational velocities at the surface (∼3.5 and ∼2 km s{sup −1}, respectively) during the inter-pulse phases, but after the thermal pulses it drops to a final rotational velocity of only ∼0.03 km s{sup −1}. For the closest binary separations explored, 5 and 6 au, the AGB star reaches rotational velocities of ∼6 and ∼4 km s{sup −1}, respectively, when the RLOF is initiated. We conclude that the detached binary models that avoid entering the RLOF phase during the AGB will not shape bipolar PNs, since the acquired angular momentum is lost via the wind during the last two thermal pulses. This study rules out tidal spin-up in non-contact binaries as a sufficient condition to form bipolar PNs.

  8. Alternative DNA structure formation in the mutagenic human c-MYC promoter.

    Science.gov (United States)

    Del Mundo, Imee Marie A; Zewail-Foote, Maha; Kerwin, Sean M; Vasquez, Karen M

    2017-05-05

    Mutation 'hotspot' regions in the genome are susceptible to genetic instability, implicating them in diseases. These hotspots are not random and often co-localize with DNA sequences potentially capable of adopting alternative DNA structures (non-B DNA, e.g. H-DNA and G4-DNA), which have been identified as endogenous sources of genomic instability. There are regions that contain overlapping sequences that may form more than one non-B DNA structure. The extent to which one structure impacts the formation/stability of another, within the sequence, is not fully understood. To address this issue, we investigated the folding preferences of oligonucleotides from a chromosomal breakpoint hotspot in the human c-MYC oncogene containing both potential G4-forming and H-DNA-forming elements. We characterized the structures formed in the presence of G4-DNA-stabilizing K+ ions or H-DNA-stabilizing Mg2+ ions using multiple techniques. We found that under conditions favorable for H-DNA formation, a stable intramolecular triplex DNA structure predominated; whereas, under K+-rich, G4-DNA-forming conditions, a plurality of unfolded and folded species were present. Thus, within a limited region containing sequences with the potential to adopt multiple structures, only one structure predominates under a given condition. The predominance of H-DNA implicates this structure in the instability associated with the human c-MYC oncogene. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

  9. More Than Filaments and Cores: Statistical Study of Structure Formation and Dynamics in Nearby Molecular Clouds

    Science.gov (United States)

    Chen, How-Huan; Goodman, Alyssa

    2018-01-01

    In the past decade, multiple attempts at understanding the connection between filaments and star forming cores have been made using observations across the entire epectrum. However, the filaments and the cores are usually treated as predefined--and well-defined--entities, instead of structures that often come at different sizes, shapes, with substantially different dynamics, and inter-connected at different scales. In my dissertation, I present an array of studies using different statistical methods, including the dendrogram and the probability distribution function (PDF), of structures at different size scales within nearby molecular clouds. These structures are identified using observations of different density tracers, and where possible, in the multi-dimensional parameter space of key dynamic properties--the LSR velocity, the velocity dispersion, and the column density. The goal is to give an overview of structure formation in nearby star-forming clouds, as well as of the dynamics in these structures. I find that the overall statistical properties of a larger structure is often the summation/superposition of sub-structures within, and that there could be significant variations due to local physical processes. I also find that the star formation process within molecular clouds could in fact take place in a non-monolithic manner, connecting potentially merging and/or transient structures, at different scales.

  10. Multicopper Oxidase Involvement in Both Mn(II) and Mn(III) Oxidation during Bacterial Formation of MnO2

    OpenAIRE

    Soldatova, Alexandra V.; Butterfield, Cristina; Oyerinde, Oyeyemi F.; Tebo, Bradley M.; Spiro, Thomas G.

    2012-01-01

    Global cycling of environmental manganese requires catalysis by bacteria and fungi for MnO2 formation, since abiotic Mn(II) oxidation is slow under ambient conditions. Genetic evidence from several bacteria implicates multicopper oxidases (MCOs) as being required for MnO2 formation. However, MCOs catalyze one-electron oxidations, whereas conversion of Mn(II) to MnO2 is a two-electron process. Trapping experiments with pyrophosphate (PP), a Mn(III) chelator, have demonstrated that Mn(III) is a...

  11. Formation, molecular structure, and morphology of humins in biomass conversion: influence of feedstock and processing conditions.

    Science.gov (United States)

    van Zandvoort, Ilona; Wang, Yuehu; Rasrendra, Carolus B; van Eck, Ernst R H; Bruijnincx, Pieter C A; Heeres, Hero J; Weckhuysen, Bert M

    2013-09-01

    Neither the routes through which humin byproducts are formed, nor their molecular structure have yet been unequivocally established. A better understanding of the formation and physicochemical properties of humins, however, would aid in making biomass conversion processes more efficient. Here, an extensive multiple-technique-based study of the formation, molecular structure, and morphology of humins is presented as a function of sugar feed, the presence of additives (e.g., 1,2,4-trihydroxybenzene), and the applied processing conditions. Elemental analyses indicate that humins are formed through a dehydration pathway, with humin formation and levulinic acid yields strongly depending on the processing parameters. The addition of implied intermediates to the feedstocks showed that furan and phenol compounds formed during the acid-catalyzed dehydration of sugars are indeed included in the humin structure. IR spectra, sheared sum projections of solid-state 2DPASS (13) C NMR spectra, and pyrolysis GC-MS data indicate that humins consist of a furan-rich polymer network containing different oxygen functional groups. The structure is furthermore found to strongly depend on the type of feedstock. A model for the molecular structure of humins is proposed based on the data presented. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. DISSECTING GALAXY FORMATION. II. COMPARING SUBSTRUCTURE IN PURE DARK MATTER AND BARYONIC MODELS

    International Nuclear Information System (INIS)

    Romano-Diaz, Emilio; Shlosman, Isaac; Heller, Clayton; Hoffman, Yehuda

    2010-01-01

    We compare the substructure evolution in pure dark matter (DM) halos with those in the presence of baryons, hereafter PDM and BDM models, respectively. The prime halos have been analyzed in the previous work. Models have been evolved from identical initial conditions which have been constructed by means of the constrained realization method. The BDM model includes star formation and feedback from stellar evolution onto the gas. A comprehensive catalog of subhalo populations has been compiled and individual and statistical properties of subhalos analyzed, including their orbital differences. We find that subhalo population mass functions in PDM and BDM are consistent with a single power law, M α sbh , for each of the models in the mass range of ∼2 x 10 8 M sun -2 x 10 11 M sun . However, we detect a nonnegligible shift between these functions, the time-averaged α ∼ -0.86 for the PDM and -0.98 for the BDM models. Overall, α appears to be a nearly constant in time, with variations of ±15%. Second, we find that the radial mass distribution of subhalo populations can be approximated by a power law, R γ sbh with a steepening that occurs at the radius of a maximal circular velocity, R vmax , in the prime halos. Here we find that γ sbh ∼ -1.5 for the PDM and -1 for the BDM models, when averaged over time inside R vmax . The slope is steeper outside this region and approaches -3. We detect little spatial bias (less than 10%) between the subhalo populations and the DM distribution of the main halos. Also, the subhalo population exhibits much less triaxiality in the presence of baryons, in tandem with the shape of the prime halo. Finally, we find that, counter-intuitively, the BDM population is depleted at a faster rate than the PDM one within the central 30 kpc of the prime halo. The reason for this is that although the baryons provide a substantial glue to the subhalos, the main halo exhibits the same trend. This assures a more efficient tidal disruption of the

  13. Formation of cross-cutting structures with different porosity on thick silicon wafers

    Directory of Open Access Journals (Sweden)

    Vera A. Yuzova

    2017-06-01

    The second type pass-through structures include a macroporous silicon layer with a thickness of 250 μm which interlock in the depth of the silicon wafer to form a cavity with a size of 4–8 μm. For the formation of the second type structures we only used the first one of the abovementioned stages, the etching time being longer, i.e. 210 min. All the etching procedures were carried out in a cooling chamber at 5 °C. The developed technology will provided for easier and more reliable formation of the monolithic structures of membrane-electrode assembly micro fuel cells.

  14. Using Structured e-Forum to Support the Legislation Formation Process

    Science.gov (United States)

    Xenakis, Alexandros; Loukis, Euripides

    Many public policy problems are 'wicked', being characterised by high complexity, many heterogeneous views and conflicts among various stakeholders, and also lack of mathematically 'optimal' solutions and predefined algorithms for calculating them. The best approach for addressing such problems is through consultation and argumentation among stakeholders. The e-participation research has investigated and suggested several ICT tools for this purpose, such as e-forum, e-petition and e-community tools. This paper investigates the use of an advanced ICT tool, the structured e-forum, for addressing such wicked problems associated with the legislation formation. For this purpose we designed, implemented and evaluated two pilot e-consultations on legislation under formation in the Parliaments of Austria and Greece using a structured e-forum tool based on the Issue Based Information Systems (IBIS) framework. The conclusions drawn reveal the advantages offered by the structured e-forum, but also its difficulties as well.

  15. Mononuclear mercury(II) complexes containing bipyridine derivatives and thiocyanate ligands: Synthesis, characterization, crystal structure determination, and luminescent properties

    Science.gov (United States)

    Amani, Vahid; Alizadeh, Robabeh; Alavije, Hanieh Soleimani; Heydari, Samira Fadaei; Abafat, Marzieh

    2017-08-01

    A series of mercury(II) complexes, [Hg(Nsbnd N)(SCN)2] (Nsbnd N is 4,4‧-dimethyl-2,2‧-bipyridine in 1, 5,5‧-dimethyl-2,2‧-bipyridine in 2, 6,6‧-dimethyl-2,2‧-bipyridine in 3 and 6-methyl-2,2‧-bipyridine in 4), were prepared from the reactions of Hg(SCN)2 with mentioned ligands in methanol. Suitable crystals of these complexes were obtained for X-ray diffraction measurement by methanol diffusion into a DMSO solution. The four complexes were thoroughly characterized by spectral methods (IR, UV-Vis, 13C{1H}NMR, 1H NMR and luminescence), elemental analysis (CHNS) and single crystal X-ray diffraction. The X-ray structural analysis indicated that in the structures of these complexes, the mercury(II) cation is four-coordinated in a distorted tetrahedral configuration by two S atoms from two thiocyanate anions and two N atoms from one chelating 2,2‧-bipyridine derivative ligand. Also, in these complexes intermolecular interactions, for example Csbnd H⋯N hydrogen bonds (in 1-4), Csbnd H⋯S hydrogen bonds (in 1, 2 and 4), π … π interactions (in 2-4), Hg⋯N interactions (in 2) and S⋯S interactions (in 4), are effective in the stabilization of the crystal structures and the formation of the 3D supramolecular complexes. Furthermore, the luminescence spectra of the title complexes show that the intensity of their emission bands are stronger than the emission bands for the free bipyridine derivative ligands.

  16. Four Mixed-Ligand Zn(II Three-Dimensional Metal-Organic Frameworks: Synthesis, Structural Diversity, and Photoluminescent Property

    Directory of Open Access Journals (Sweden)

    Chih-Chieh Wang

    2017-11-01

    Full Text Available Assemblies of four three-dimensional (3D mixed-ligand coordination polymers (CPs having formulas, {[Zn2(bdc2(4-bpdh]·C2H5OH·2H2O}n (1, [Zn(bdc(4-bpdh]n (2, {[Zn2(bdc2(4-bpdh2]·(4-bpdh}n (3, and {[Zn(bdc(4-bpdh]·C2H5OH}n (4 (bdc2− = dianion of 1,4-benzenedicarboxylic acid, 4-bpdh = 2,5-bis(4-pyridyl-3,4-diaza-2,4-hexadiene have been synthesized and structurally characterized by single-crystal X-ray diffraction method. Structural determination reveals that the coordination numbers (geometry of Zn(II ions in 1, 2, 3, and 4 are five (distorted square-pyramidal (SP, six (distorted octahedral (Oh, five (trigonal-bipyramidal (TBP, and four (tetrahedral (Td, respectively, and are bridged by 4-bpdh with bis-monodentate coordination mode and bdc2− ligands with bis-bidentate in 1, chelating/bidentate in 2, bis-monodentate and bis-bidentate in 3, and bis-monodentate in 4, to generate two-fold interpenetrating 3D cube-like metal-organic framework (MOF with pcu topology, non-interpenetrating 3D MOF, two-fold interpenetrating 3D rectangular-box-like MOF with pcu topology and five-fold interpenetrating diamondoid-like MOF with dia topology, respectively. These different intriguing architectures indicate that the coordination numbers and geometries of Zn(II ions, coordination modes of bdc2− ligand, and guest molecules play important roles in the construction of MOFs and the formation of the structural topologies and interpenetrations. Thermal stabilities, and photoluminescence study of 1–4 were also studied in detail. The complexes exhibit ligands based photoluminescence properties at room temperature.

  17. Structural Investigation in Solution of a series of five-Coordinate Bisphosphinoaryl Ruthenium(II) Complexes

    NARCIS (Netherlands)

    Koten, G. van; Dani, P.; Kink, G. van

    2000-01-01

    The structure of the ruthenium(II) complexes [RuCl{C6H2(CH2PPh2)2-2,6-R-4}(PPh3)] [R = H (1), Ph (2) or Br (3)] was investigated in solution using two-dimensional NMR techniques (1H-1H-, 13C-1H- and 31P-1H-correlation NMR spectroscopy and 1H NOESY). The 1H and 13C NMR spectra of the complexes 1-3

  18. Tandem Mass Spectrometry and Ion Mobility Reveals Structural Insight into Eicosanoid Product Ion Formation.

    Science.gov (United States)

    Di Giovanni, James P; Barkley, Robert M; Jones, David N M; Hankin, Joseph A; Murphy, Robert C

    2018-04-23

    Ion mobility measurements of product ions were used to characterize the collisional cross section (CCS) of various complex lipid [M-H] - ions using traveling wave ion mobility mass spectrometry (TWIMS). TWIMS analysis of various product ions derived after collisional activation of mono- and dihydroxy arachidonate metabolites was found to be more complex than the analysis of intact molecular ions and provided some insight into molecular mechanisms involved in product ion formation. The CCS observed for the molecular ion [M-H] - and certain product ions were consistent with a folded ion structure, the latter predicted by the proposed mechanisms of product ion formation. Unexpectedly, product ions from [M-H-H 2 O-CO 2 ] - and [M-H-H 2 O] - displayed complex ion mobility profiles suggesting multiple mechanisms of ion formation. The [M-H-H 2 O] - ion from LTB 4 was studied in more detail using both nitrogen and helium as the drift gas in the ion mobility cell. One population of [M-H-H 2 O] - product ions from LTB 4 was consistent with formation of covalent ring structures, while the ions displaying a higher CCS were consistent with a more open-chain structure. Using molecular dynamics and theoretical CCS calculations, energy minimized structures of those product ions with the open-chain structures were found to have a higher CCS than a folded molecular ion structure. The measurement of product ion mobility can be an additional and unique signature of eicosanoids measured by LC-MS/MS techniques. Graphical Abstract ᅟ.

  19. Magnetic Relaxation in Aluminosilicate Structures Containing Manganese(II) and Gadolinium(III) Complexes

    Science.gov (United States)

    Sur, S. K.; Heinsbergen, J. F.; Bryant, R. G.

    Electron-spin-resonance spectra and nuclear-magnetic-relaxation-dispersion measurements are reported for several aluminosilicate structures to which manganese (II) and gadolinium(III) ions have been added in several structurally distinct ways. EPR spectra demonstrate that diffusion of the hexaaquomanganese(II) ion or the aquogadolinium(III) ion into the zeolite structures is facile, apparently displacing sodium ion or protons. The addition of a complexing agent such as ethylenediaminetetraacetic acid or diethylenetriaminepentaacetic acid to the metal-loaded zeolite then yields a complex which in the gadolinium case forms inside the zeolite but in the manganese(II) case forms largely outside the zeolite under our preparation conditions. For the intrazeolite complexes, the gadolinium system is stable to both low pH and high sodium concentrations. The field dependence of the water-proton relaxation displays strong paramagnetic effects that increase with increasing temperature, consistent with exchange limitations on the access of the water-proton spin system to the paramagnetic centers. The shape of the relaxation-dispersion curves demonstrates the importance of anisotropy in the metal-ion EPR spectrum, which leads to a considerable distribution of electron-spin Larmor frequencies and a consequent weak dependence of the nuclear-spin-relaxation rate on the magnetic-field strength.

  20. Synthesis, crystal structure of and DFT calculations on bisglycinato-bis[p-(hydroxymethylpyridine]nickel(II

    Directory of Open Access Journals (Sweden)

    FANG FANG JIAN

    2010-09-01

    Full Text Available The main aim of this study was to investigate the relationship between mIn tA new Ni(II complex of bisglycinato-bis[p-(hydroxylmethylpy-ridine] was synthesized and characterized by elemental analysis, IR, UV–Vis spectroscopy and X-ray single crystal diffraction analysis. The thermal stability of the title complex was also determined. The complex adopts a distorted octahedral geometry and possesses inversion symmetry with the Ni(II ion as the center of inversion. Density function theory (DFT calculations of the structure, electronic absorption spectra, electron structure and natural population analysis (NPA at the B3LYP/LANL2DZ level of theory were performed. The predicted geometric parameters and electronic spectra were compared with the experimental values and they supported each other. The NPA results indicate that the electronic transitions were mainly derived from the contribution of an intra-ligand (IL transition, a ligand-to-metal charge transfer (LMCT transition and a d-d transition. The electron structure calculations suggest that the central Ni(II ion uses its 4s and 3d orbitals to form covalent bonds with coordinated N and O atoms. The calculated bond orders are also consistent with the thermal decomposition results. Based on vibrational analysis, the thermodynamic properties of the title complex were predicted and the correlative equations between these thermodynamic properties and temperature are also reported.

  1. Ultra-Lightweight Nanocomposite Foams and Sandwich Structures for Space Structures Applications, Phase II

    Data.gov (United States)

    National Aeronautics and Space Administration — Space structures that are ultra-lightweight, and have gas barrier property, space durability, radiation resistance, EMI shielding, and high impact resistance are...

  2. Complexation of 1,3-dimorpholinopropane with Hg(II) and Zn(II) salts: Synthese, crystal structures and antibacterial studies

    Czech Academy of Sciences Publication Activity Database

    Goudarziafshar, H.; Yousefi, S.; Abbasityula, Y.; Dušek, Michal; Eigner, Václav; Rezaeivala, M.; Özbek, N.

    2015-01-01

    Roč. 31, č. 6 (2015), s. 1076-1084 ISSN 1001-4861 R&D Projects: GA ČR(CZ) GA14-03276S Institutional support: RVO:68378271 Keywords : crystal structure * 1,3-dimorpholinopropane * antibacterial activity * Hg(II) complex * Zn(II) complex Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 0.488, year: 2015

  3. Effect of Lipid Surface Composition on the Formation and Structure of Fibrin Clots.

    Science.gov (United States)

    Bakirova, D R; Faizullin, D A; Valiullina, Yu A; Salnikov, V V; Zuev, Yu F

    2017-10-01

    We studied the influence of lipid surface composition on the kinetics of fibrin clot formation and its structure. It was shown that lipid surface affects all phases of fibrin polymerization and chances clot morphology. The magnitude and character of the effect depend on the charge and phase state of lipids that determine the interaction of fibrinogen with the lipid surface and its conformational changes, which modulated the process of fibrinogen conversion into fibrin and, as a result, the formation and morphology of the fibrin clot.

  4. The role of chemical admixtures in the formation of the structure of cement stone

    Directory of Open Access Journals (Sweden)

    Sopov Viktor

    2017-01-01

    Full Text Available The influence of sulfates and carbonates of potassium and sodium on the character of the formation of the microstructure of cement stone was studied. The role of cations in the structure formation of cement stone is shown. The efficiency of chemical additives, hardening accelerators, was estimated from the ratio of the volumes of gel and capillary micropores. The ratio of gel and capillary pores allows to determine the efficiency coefficient of the action of chemical additives. It is shown that the potassium carbonate for Portland cement is the most effective additive for hardening in terms of microstructure modification, and potassium sulfate for slag Portland cement.

  5. Chemical structure of vanadium-based contact formation on n-AlN

    Energy Technology Data Exchange (ETDEWEB)

    Pookpanratana, S.; France, R.; Blum, M.; Bell, A.; Bar, M.; Weinhardt, L.; Zhang, Y.; Hofmann, T.; Fuchs, O.; Yang, W.; Denlinger, J. D.; Mulcahy, S.; Moustakas, T. D.; Heske, Clemens

    2010-05-17

    We have investigated the chemical interaction between a Au/V/Al/V layer structure and n-type AlN epilayers using soft x-ray photoemission, x-ray emission spectroscopy, and atomic force microscopy. To understand the complex processes involved in this multicomponent system, we have studied the interface before and after a rapid thermal annealing step. We find the formation of a number of chemical phases at the interface, including VN, metallic vanadium, aluminum oxide, and metallic gold. An interaction mechanism for metal contact formation on the entire n-(Al,Ga)N system is proposed.

  6. OR TEP-II: a FORTRAN Thermal-Ellipsoid Plot Program for crystal structure illustrations

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, C.K.

    1976-03-01

    A computer program is described for drawing crystal structure illustrations using a mechanical plotter. Ball-and-stick type illustrations of a quality suitable for publication are produced with either spheres or thermal-motion probability ellipsoids on the atomic sites. The program can produce stereoscopic pairs of illustrations which aid in the visualization of complex packing arrangements of atoms and thermal motion patterns. Interatomic distances, bond angles, and principal axes of thermal motion are also calculated to aid the structural study. The most recent version of the program, OR TEP-II, has a hidden-line-elimination feature to omit those portions of atoms or bonds behind other atoms or bonds.

  7. A temperature-dependent theory for HeII: Application to the liquid structure factor

    International Nuclear Information System (INIS)

    Chela-Flores, J.; Ghassib, H.B.

    1981-08-01

    A temperature-dependent theory is presented for HeII, which is based on both a gauge-theoretic formulation as well as a mean-field (Hartree) approach. A simple model calculation is then performed within this framework for the liquid structure factor of the system. In particular, explicit expressions are obtained for the low-momentum-transfer and low-temperature limits, which seem to conform with the available experimental data. Further, the curvature of the structure factor is predicted, under these circumstances, to be only mildly dependent on temperature. Throughout, we compare and contrast with other theoretical attempts, including Feynman's. (author)

  8. OR TEP-II: a FORTRAN Thermal-Ellipsoid Plot Program for crystal structure illustrations

    International Nuclear Information System (INIS)

    Johnson, C.K.

    1976-03-01

    A computer program is described for drawing crystal structure illustrations using a mechanical plotter. Ball-and-stick type illustrations of a quality suitable for publication are produced with either spheres or thermal-motion probability ellipsoids on the atomic sites. The program can produce stereoscopic pairs of illustrations which aid in the visualization of complex packing arrangements of atoms and thermal motion patterns. Interatomic distances, bond angles, and principal axes of thermal motion are also calculated to aid the structural study. The most recent version of the program, OR TEP-II, has a hidden-line-elimination feature to omit those portions of atoms or bonds behind other atoms or bonds

  9. Concept and structure of instrumentation and control of the Atucha II nuclear power plant

    International Nuclear Information System (INIS)

    Garzon, D.; Roca, J.L.

    1987-01-01

    The general structure of instrumentation and control of Atucha II nuclear power plant as well as the technologies used, are described: concepts of functional decentralization and physical centralization; concept of functional group and functional complex; description of the technologies used (physical support) in the project of plant instrumentation and control; description of the different automation levels on the basis of concepts of control interface, automatism, regulation, group and subgroup controls; principles of signal conditioning; concept of announcement of alarms and state: supervisory computer, description of HAS (Hard wired Alarm System) and CAS (Computer Alarm System); application of the above mentioned structure to the project of another type of plants. (Author)

  10. Four thiophene-pyridyl-amide-based Zn{sup II}/Cd{sup II} coordination polymers: Assembly, structures, photocatalytic properties and fluorescent recognition for Fe{sup 3+}

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiu-Li; Wu, Xiao-Mei; Liu, Guo-Cheng; Li, Qiao-Min; Lin, Hong-Yan; Wang, Xiang

    2017-05-15

    By tuning metal ions and combining with different dicarboxylates, four new semi-rigid thiophene-bis-pyridyl-bis-amide-based coordination polymers, namely, [Zn(3-bptpa)(1,3-BDC)]·DMA·2H{sub 2}O (1), [Zn(3-bptpa)(5-MIP)] (2), [Cd(3-bptpa)(1,3-BDC)]·2H{sub 2}O (3) and [Cd(3-bptpa)(5-MIP)]·4H{sub 2}O (4) (3-bptpa=N,N′-bis(pyridine-3-yl)thiophene-2,5-dicarboxamide, 1,3-H{sub 2}BDC=1,3-benzenedicarboxylic acid, 5-H{sub 2}MIP=5-methylisophthalic acid, DMA=N,N-dimethylacetamide), were solvothermally/hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction analyses, IR spectra, UV–vis diffuse-reflectance spectra (DRS), powder X-ray diffraction (PXRD) and thermal gravimetric analyses (TG). The structural analysis reveals that Zn-complexes 1 and 2 are similar 2D networks. While Cd-complexes 3 and 4 exhibit similar 2-fold interpenetrating 3D α-Po frameworks with the (4{sup 12}·6{sup 3}) topology. The photocatalytic properties for the degradation of methylene blue (MB) under ultraviolet light irradiation of the title complexes have been investigated in detail. Furthermore, the luminescent sensing behaviors for metal cations of 1–4 have been studied, the results indicate that 3 is an excellent fluorescent probe, with high sensitivity, selectivity, and simple regeneration, for environmentally relevant Fe{sup 3+} ions. - Graphical abstract: Four Zn{sup II}/Cd{sup II} coordination polymers with a thiophene-pyridyl-amide ligand have been prepared. The photocatalytic activities and fluorescent sensing properties for metal ions of the title complexes have been investigated. - Highlights: • Four coordination polymers with thiophene-pyridyl-amide ligands have been obtained. • The central metal ions play an important role in the formation of the frameworks. • The photoluminescent sensing and the photocatalytic properties have been investigated.

  11. STRUCTURAL MODIFICATION OF NEW FORMATIONS IN CEMENT MATRIX USING CARBON NANOTUBE DISPERSIONS AND NANOSILICA

    Directory of Open Access Journals (Sweden)

    B. M. Khroustalev

    2017-01-01

    Full Text Available Complex nanodispersed systems with multi-walled carbon nanotubes and nanodispersed silica have a significant impact on the processes of hydration, hardening and strength gain of construction composites predetermining their durability. While using a scanning electron microscope with an attachment for X-ray microanalysis and a device for infrared spectral analysis investigations have shown that the main effect of the cement matrix modification in the case of adding complex nanodispersed systems is provided by direct influence of hydration processes with subsequent crystallization of new formations. It has been noted that while adding carbon nanotube dispersion and nanosized silica a binding matrix is structured in the form of an extremely dense shell from crystalline hydrate new formations on the surface of solid phases that provides strong binding matrix in cement concrete. The addition effect of carbon nanotubes has been analyzed and quantitatively assessed through an investigation for every case of one sample with nanotubes and one sample without them with the help of a nanoindenter and scanning electron microscope. It is necessary to solve rather complicated challenging task in order to assess quantitatively the addition effect of CNT on material characteristics at a micromechanical level. At the same time it is possible to investigate surface of a concrete sample with one-micron resolution. In this case it is necessary to prepare samples for nanoindentation with exclusion of all CNT defectable effects that have been shown by a SEM. So in this case more adequate method for assessment must be a picoindenter , which combines a test method for nanoindentation with an optical SEM potential. Such equipment is in the stage of in-situ testing process at the Vienna University of Technology. The investigation is based on the fact that the main modification effect of mineral binding matrix while using incorporated complex nanodispersed systems and

  12. Structural insight into activity enhancement and inhibition of H64A carbonic anhydrase II by imidazoles

    Directory of Open Access Journals (Sweden)

    Mayank Aggarwal

    2014-03-01

    Full Text Available Human carbonic anhydrases (CAs are zinc metalloenzymes that catalyze the hydration and dehydration of CO2 and HCO3−, respectively. The reaction follows a ping-pong mechanism, in which the rate-limiting step is the transfer of a proton from the zinc-bound solvent (OH−/H2O in/out of the active site via His64, which is widely believed to be the proton-shuttling residue. The decreased catalytic activity (∼20-fold lower with respect to the wild type of a variant of CA II in which His64 is replaced with Ala (H64A CA II can be enhanced by exogenous proton donors/acceptors, usually derivatives of imidazoles and pyridines, to almost the wild-type level. X-ray crystal structures of H64A CA II in complex with four imidazole derivatives (imidazole, 1-methylimidazole, 2-methylimidazole and 4-methylimidazole have been determined and reveal multiple binding sites. Two of these imidazole binding sites have been identified that mimic the positions of the `in' and `out' rotamers of His64 in wild-type CA II, while another directly inhibits catalysis by displacing the zinc-bound solvent. The data presented here not only corroborate the importance of the imidazole side chain of His64 in proton transfer during CA catalysis, but also provide a complete structural understanding of the mechanism by which imidazoles enhance (and inhibit when used at higher concentrations the activity of H64A CA II.

  13. Residue Phe112 of the Human-Type Corrinoid Adenosyltransferase (PduO) Enzyme of Lactobacillus reuteri Is Critical to the Formation of the Four-Coordinate Co(II) Corrinoid Substrate and to the Activity of the Enzyme

    Energy Technology Data Exchange (ETDEWEB)

    Mera, Paola E.; St. Maurice, Martin; Rayment, Ivan; Escalante-Semerena, Jorge C.; UW

    2009-06-08

    ATP:Corrinoid adenosyltransferases (ACAs) catalyze the transfer of the adenosyl moiety from ATP to cob(I)alamin via a four-coordinate cob(II)alamin intermediate. At present, it is unknown how ACAs promote the formation of the four-coordinate corrinoid species needed for activity. The published high-resolution crystal structure of the ACA from Lactobacillus reuteri (LrPduO) in complex with ATP and cob(II)alamin shows that the environment around the alpha face of the corrin ring consists of bulky hydrophobic residues. To understand how these residues promote the generation of the four-coordinate cob(II)alamin, variants of the human-type ACA enzyme from L. reuteri (LrPduO) were kinetically and structurally characterized. These studies revealed that residue Phe112 is critical in the displacement of 5,6-dimethylbenzimidazole (DMB) from its coordination bond with the Co ion of the ring, resulting in the formation of the four-coordinate species. An F112A substitution resulted in a 80% drop in the catalytic efficiency of the enzyme. The explanation for this loss of activity was obtained from the crystal structure of the mutant protein, which showed cob(II)alamin bound in the active site with DMB coordinated to the cobalt ion. The crystal structure of an LrPduO(F112H) variant showed a DMB-off/His-on interaction between the corrinoid and the enzyme, whose catalytic efficiency was 4 orders of magnitude lower than that of the wild-type protein. The analysis of the kinetic parameters of LrPduO(F112H) suggests that the F112H substitution negatively impacts product release. Substitutions of other hydrophobic residues in the Cbl binding pocket did not result in significant defects in catalytic efficiency in vitro; however, none of the variant enzymes analyzed in this work supported AdoCbl biosynthesis in vivo.

  14. Ursodeoxycholic Acid Attenuates Acute Aortic Dissection Formation in Angiotensin II-Infused Apolipoprotein E-Deficient Mice Associated with Reduced ROS and Increased Nrf2 Levels

    Directory of Open Access Journals (Sweden)

    Wanjun Liu

    2016-03-01

    Full Text Available Background/Aims: Acute aortic dissection (AAD is characterized by excessive smooth muscle cell (SMC loss, extracellular matrix (ECM degradation and inflammation. In response to certain stimulations, oxidative stress is activated and regulates apoptosis and inflammation. Excessive apoptosis promotes aortic inflammation and degeneration, leading to AAD formation. This study aimed to clarify role of oxidative stress in the pathogenesis of AAD and whether the antioxidant ursodeoxycholic acid (UDCA attenuates AAD formation. Methods: Angiotensin II (Ang II was infused in 8-months male ApoE-/- mice for one week to establish a model of AAD. UDCA (10 mg/kg/day was administered via intragastric gavage for 3 consecutive days before AngII infusion and also during the AngII infusion for another consecutive 7 days. Results: Ang II-infusion resulted in the incidence of AAD at a rate of 35% (13/37 and UDCA markedly reduced the incidence of AAD to 16% (6/37, accompanied with reduced maximal aortic diameter measured at the suprarenal region of the abdominal aorta. Additionally, UDCA pretreatment prevented Ang II induced generations of reactive oxygen species (ROS and apoptosis of vascular smooth muscle cells (VSMCs both in vivo and in. vitro Mechanistically, we found UDCA markedly increased Nrf2 expression in VSMCs and prevented Ang II induced expression of NADPH subunits (p47, p67 and gp91 in Nrf2-dependent manner and rescued the activity of redox enzymes (Cu/Zn-SOD, Mn-SOD and CAT, thereby inhibiting apoptosis of VSMCs. Conclusion: These results demonstrate that UDCA prevented AAD formation by reducing apoptosis of VSMCs caused by oxidative stress in Nrf2 dependent manner and suggest that UDCA might have clinical potential to suppress AAD formation.

  15. Coordination structure of adsorbed Zn(II) at Water-TiO2 interfaces

    Energy Technology Data Exchange (ETDEWEB)

    He, G.; Pan, G.; Zhang, M.; Waychunas, G.A.

    2011-01-15

    The local structure of aqueous metal ions on solid surfaces is central to understanding many chemical and biological processes in soil and aquatic environments. Here, the local coordination structure of hydrated Zn(II) at water-TiO{sub 2} interfaces was identified by extended X-ray absorption fine structure (EXAFS) and X-ray absorption near-edge structure (XANES) spectroscopy combined with density functional theory (DFT) calculations. A nonintegral coordination number of average {approx}4.5 O atoms around a central Zn atom was obtained by EXAFS analysis. DFT calculations indicated that this coordination structure was consistent with the mixture of 4-coordinated bidentate binuclear (BB) and 5-coordinated bidentate mononuclear (BM) metastable equilibrium adsorption (MEA) states. The BB complex has 4-coordinated Zn, while the monodentate mononuclear (MM) complex has 6-coordinated Zn, and a 5-coordinated adsorbed Zn was found in the BM adsorption mode. DFT calculated energies showed that the lower-coordinated BB and BM modes were thermodynamically more favorable than the higher-coordinated MM MEA state. The experimentally observed XANES fingerprinting provided additional direct spectral evidence of 4- and 5-coordinated Zn-O modes. The overall spectral and computational evidence indicated that Zn(II) can occur in 4-, 5-, and 6-oxygen coordinated sites in different MEA states due to steric hindrance effects, and the coexistence of different MEA states formed the multiple coordination environments.

  16. Improvement of the excavation damaged zone in saliferous formations. Phase II. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Mueller, C.; Simo Kuate, E.; Borstel, L. von; Engelhardt, H.J.

    2016-01-15

    In Germany, salt formations are considered to be suitable to host a deep geological repository for radioactive waste. However, local stress changes adjacent to man-made openings lead to the evolution of an excavation damaged zone (EDZ) during and after excavation. Such an EDZ can have a major impact on the operation of a radioactive waste repository since it represents a region where progressive failure occurs. This decreases the material strength and thus increases the permeability of the originally tight host rock. The objective of this investigation is determined by the need to develop a modeling strategy that can be applied to simulate the permeability increase due to mechanical deterioration of rock salt, in particular that occurring in the EDZ. The identification of material parameters is often conducted by back-calculation of laboratory experiments. However, standard laboratory tests, e.g. compression tests, are only applicable to provide information about the macroscopic deformation. For this purpose, further laboratory tests were conducted to derive material parameters used in the constitutive models. Combined acoustic emission and uniaxial compression tests as well as microstructural analyses were carried out to dissolve the macroscopic behavior micromechanically. The information obtained was then used for parameter identification utilizing optimization methods. The objective was to identify the best estimate of the micro-parameter values that can be applied to simulate the laboratory results performed. To make a qualitative comparison between the numerical analysis and the acoustic emission (AE) testing, the onset of failure at contacts was equated with events detected by AE testing. The onset of failure is identified at stress levels above 3 MPa. The number of tensile fractures increases continuously and the maximum is reached between 10 and 12 MPa axial stress. At the beginning of loading, tensile fractures appear more frequently than shear fractures

  17. Synthesis, structural characterization, crystal structure and theoretical study of a Pd(II)-salen complex with propylene linkage

    Science.gov (United States)

    Azam, Mohammad; Al-Resayes, Saud I.; Soliman, Saied M.; Kruszynska, Agata Trzesowska; Kruszynski, Rafal

    2017-06-01

    A Pd(II)-salen complex derived from salen ligand is reported. The reported complex is investigated by microanalyses (C, H, N), ESI-MS spectrometry, FT-IR, 1H and 13C NMR and UV/Vis spectroscopic studies. In addition, crystal structure measurement study has also been carried out in order to confirm the structure of Pd(II)-salen complex. In order to explore the insights into the structural bonding of the studied complex, computational measurements has been carried out. Combined topology and NBO studies were made to explore the nature of Pdsbnd O and Pdsbnd N bonding in the complex. The natural charges showed that the transfers of the negative charge from the ligand to palladium atom is at 1.4157-1.4312 e. Atom in a molecule (AIM) analysis showed the electron density (ρ(r) > 0.1) and its Laplacian (∇2 ρ(r) > 0). These topological parameters showed that covalent bonding interactions are dominant in Pdsbnd N and Pdsbnd O bonds. However, Pdsbnd N bonds have more covalent characters than Pdsbnd O bonds, which is further confirmed by the ratio of local electron potential energy density to the local electron kinetic energy density (|V(r)|/G(r)) found to be higher for Pdsbnd N bonds (1.1683-1.1993) as compared to Pdsbnd O bonds (1.0689-1.0926). AIM and NBO reveal that shorter Pdsbnd N and Pdsbnd O bonds have higher interaction energies (Eint) and hence higher bond covalence.

  18. Formation of a stable oligomer of beta-2 microglobulin requires only transient encounter with Cu(II).

    Science.gov (United States)

    Calabrese, Matthew F; Miranker, Andrew D

    2007-03-16

    Beta-2 Microglobulin (beta2m) is a small, globular protein, with high solubility under conditions comparable to human serum. A complication of hemodialysis in renal failure patients is the deposition of unmodified beta2m as amyloid fibers. In vitro, exposure of beta2m to equimolar Cu(2+) under near-physiological conditions can result in self-association leading to amyloid fiber formation. Previously, we have shown that the early steps in this process involve a catalyzed structural rearrangement followed by formation of discrete oligomers. These oligomers, however, have a continued requirement for Cu(2+) while mature fibers are resistant to addition of metal chelate. Here, we report that the transition from Cu(2+) dependent to chelate resistant states occurs in the context of small oligomers, dimeric to hexameric in size. These species require Cu(2+) to form, but once generated, do not need metal cation for stability. Importantly, this transition occurs gradually over several days and the resulting oligomers are isolatable and kinetically stable on timescales exceeding weeks. In addition, formation is enhanced by levels of urea similar to those found in hemodialysis patients. Our results are consistent with our hypothesis that transient encounter of full-length wild-type beta2m with transition metal cation at the dialysis membrane interface is causal to dialysis related amyloidosis.

  19. Precision photonic band structure calculation of Abrikosov periodic lattice in type-II superconductors

    Energy Technology Data Exchange (ETDEWEB)

    Kokabi, Alireza; Zandi, Hesam; Khorasani, Sina [School of Electrical Engineering, Sharif University of Technology, P.O. Box 11365-9363, Tehran (Iran, Islamic Republic of); Fardmanesh, Mehdi [School of Electrical Engineering, Sharif University of Technology, P.O. Box 11365-9363, Tehran (Iran, Islamic Republic of)], E-mail: fardmanesh@sharif.edu

    2007-09-01

    We have performed a numerical solution for band structure of an Abrikosov vortex lattice in type-II superconductors forming a periodic array in two dimensions for applications of incorporating the photonic crystals concept into superconducting materials with possibilities for optical electronics. The implemented numerical method is based on the extensive numerical solution of the Ginzburg-Landau equation for calculating the parameters of the two-fluid model and obtaining the band structure from the permittivity, which depends on the above parameters and the frequency. This is while the characteristics of such crystals highly vary with an externally applied static normal magnetic field, leading to nonlinear behavior of the band structure, which also has nonlinear dependence on the temperature. The similar analysis for every arbitrary lattice structure is also possible to be developed by this approach as presented in this work. We also present some examples and discuss the results.

  20. Mesoporous Silica Formation by Block Copolymers and Cetyltrimethylammonium Bromide as Structure Control Agent

    Directory of Open Access Journals (Sweden)

    Mohamad Ali Semsarzadeh

    2013-01-01

    Full Text Available Block copolymers and cetyltrimethylammonium bromide were used as templates in nano silica structure formation like MCM-41Mobil Composition of Matter, SBA16 Santa Barbara Amorphous and a new compound namely SPB  silicone mesoporous particles, prepared by sol-gel method using PPG-PEG-PPG block copolymer to compare the porosity and regularity of the products together. In this work tetraethylorthosilicate  TEOS, as silica source and alcohol as surface modifying agent were used because of having the main advantage, compared to an ionic template such as etyltrimethylammonium bromide, in producing larger pores  and thicker walls for holding larger catalytic molecules in their pores or increasing  their resistance towards fragmentation. In order to study the copolymer as a template,  SPB structure was prepared and compared with SBA16 which was found to have  broader  pore-size  distribution  and  smaller  specifc  surface  area.  Using  alcohol  in particle production resulted in higher formation rate of micelles with improved  morphology. Nitrogen adsorption-desorption, X-ray diffraction and electron scanning  microscopy confrmed the mesoporous structure and regularity of these synthesized  materials. Finally a mechanism is proposed for the formation of these structures.

  1. Kinetics and equilibria for the formation of a new DNA metal-intercalator: the cyclic polyamine Neotrien/copper(II) complex.

    Science.gov (United States)

    Biver, Tarita; Secco, Fernando; Tinè, Maria Rosaria; Venturini, Marcella

    2004-01-01

    A study has been performed of the kinetics and equilibria involved in complex formation between the macrocyclic polyamine 2,5,8,11-tetraaza[12]-[12](2,9)[1,10]-phenanthrolinophane (Neotrien) and Cu(II) in acidic aqueous solution and ionic strength 0.5 M (NaCl), by means of the stopped-flow method and UV spectrophotometry. Spectrophotometric titrations and kinetic experiments revealed that the binding of Cu(II) to Neotrien gives rise to several 1:1 complexes differing in their degree of protonation. Under the experimental hydrogen ion concentration range investigated, complexation occurs by two parallel paths: (a) M2+ + (H4L)4+ (MH4L)6+ and (b) M2+ + (H3L)3+ (MH3L)5+. The rate constants values found for complex formation, by paths (a) and (b), are much lower than the values expected from water exchange at copper(II) and other amine/Cu(II) complexation kinetic constants. Kinetic experiments at different NaCl concentrations indicated that this finding was not due to chloride ion competition in complex formation with Neotrien, but it was related to a ring rigidity effect. As the phenanthroline moiety could, in principle, interact with nucleic acids by intercalation or external binding, some preliminary measurements concerned with the possible interactions occurring between the Cu(II)/Neotrien complex and calf thymus DNA (CT-DNA) have also been carried out. The absorption spectra of the Cu(II)/Neotrien complex change upon addition of CT-DNA at pH 7.0, revealing the occurrence of complex-nucleic acid interactions. Moreover, fluorescence titrations, carried out by adding the Cu(II)/Neotrien complex to CT-DNA, previously saturated with ethidium bromide (EB), show that the Cu(II)/Neotrien complex is able to displace EB from DNA, suggesting the complex is able to intercalate into the polynucleotide and then to cleave the phosphodiester bond of DNA.

  2. Novel RNA structural features of an alternatively splicing group II intron from Clostridium tetani.

    Science.gov (United States)

    McNeil, Bonnie A; Zimmerly, Steven

    2014-06-01

    Group II introns are ribozymes in bacterial and organellar genomes that function as self-splicing introns and as retroelements. Previously, we reported that the group II intron C.te.I1 of Clostridium tetani alternatively splices in vivo to produce five distinct coding mRNAs. Accurate fusion of upstream and downstream reading frames requires a shifted 5' splice site located 8 nt upstream of the usual 5' GUGYG motif. This site is specified by the ribozyme through an altered intron/exon-binding site 1 (IBS1-EBS1) pairing. Here we use mutagenesis and self-splicing assays to investigate in more detail the significance of the structural features of the C.te.I1 ribozyme. The shifted 5' splice site is shown to be affected by structures in addition to IBS1-EBS1, and unlike other group II introns, C.te.I1 appears to require a spacer between IBS1 and the GUGYG motif. In addition, the mechanism of 3' exon recognition is modified from the ancestral IIB mechanism to a IIA-like mechanism that appears to be longer than the typical single base-pair interaction and may extend up to 4 bp. The novel ribozyme properties that have evolved for C.te.I1 illustrate the plasticity of group II introns in adapting new structural and catalytic properties that can be utilized to affect gene expression. © 2014 McNeil and Zimmerly; Published by Cold Spring Harbor Laboratory Press for the RNA Society.

  3. Structural aspects of glass-formation in Ni-Nb melts

    Science.gov (United States)

    Holland-Moritz, D.; Yang, F.; Gegner, J.; Hansen, T.; Ruiz-Martín, M. D.; Meyer, A.

    2014-05-01

    We report on investigations of the static structure factors of glass-forming Ni59.5Nb40.5 alloy melts by combination of the containerless processing technique of electrostatic levitation with neutron diffraction. By application of the isotopic substitution method, the full set of partial structure factors was determined. The short-range order in liquid Ni59.5Nb40.5 is characterized by a large nearest neighbor coordination number of ZNN = 14.3 and a chemical short-range order with an affinity for the formation of heterogeneous Nb-Ni nearest neighbors. The structure factors observed here in the liquid state closely resemble those reported for amorphous Nb-Ni solids. The comparison with earlier results on the short-range structure in Zr-based glass-forming melts suggests that a large local density of packing, chemical order, and structural frustration are, amongst others, common structural properties of these metallic glass-forming systems, which favor glass-formation.

  4. Correlation between UV-VIS spectra and the structure of Cu(II complexes with hydrogenated dextran in alkaline solutions

    Directory of Open Access Journals (Sweden)

    Nikolić Goran S.

    2005-01-01

    Full Text Available UV-VIS spectrophotometric investigations of Cu(II complexes with hydroge-nated dextran showed that the complexation of Cu(II-ions began at pH > 7. The formation of Cu(II complexes with dextran monomer units was observed at pH 7-12. With further increase in solution pH > 12, the Cu(II-dextran complex decomposed to Cu(OH42~-ions and dextran. With increasing solution pH the absorption maximum of complex solutions increased and shifted to shorter wavelength (hypsochromic shift compared with uncomplexed Cu(II. The UV spectra displayed bathochromic shifts. The changes of UV-VIS spectra with increasing in solution pH confirmed the formation of different kinds of complex species. The correlation between the results of UV-VIS spectrophotometry and the central metal ionligand coordination predicted that the copper binding within the complex depended on the pH and participation H2O molecules. Dextran complexes with Cu(II were formed by the displacement of water molecules from the coordination sphere of copper by OH groups. The analysis indicated that the Cu(II center was coordinated to two glucopyranose units of dextran. The spectrophotometric parameters of the investigated complexes were characteristic of a Cu(II-ion in a square-planar or tetragon ally distorted octahedral coordination.

  5. The Usefulness of the APACHE II Score in Obstetric Critical Care: A Structured Review.

    Science.gov (United States)

    Ryan, Helen M; Sharma, Sumedha; Magee, Laura A; Ansermino, J Mark; MacDonell, Karen; Payne, Beth A; Walley, Keith R; von Dadelszen, Peter

    2016-10-01

    To assess the performance of the Acute Physiology and Chronic Health Evaluation II (APACHE II) mortality prediction model in pregnant and recently pregnant women receiving critical care in low-, middle-, and high-income countries during the study period (1985-2015), using a structured literature review. Ovid MEDLINE, Embase, Web of Science, and Evidence-Based Medicine Reviews, searched for articles published between 1985 and 2015. Twenty-five studies (24 publications), of which two were prospective, were included in the analyses. Ten studies were from high-income countries (HICs), and 15 were from low- and middle-income countries (LMICs). Median study duration and size were six years and 124 women, respectively. ICU admission complicates 0.48% of deliveries, and pregnant and recently pregnant women account for 1.49% of ICU admissions. One quarter were admitted while pregnant, three quarters of these for an obstetric indication and for a median of three days. The median APACHE II score was 10.9, with a median APACHE II-predicted mortality of 16.6%. Observed mortality was 4.6%, and the median standardized mortality ratio was 0.36 (interquartile range 0.23 to 0.73). The standardized mortality ratio was critical care, whether they reside in HICs or LMICs. There is a need for a pregnancy-specific outcome prediction model for these women. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

  6. A Threonine on the Active Site Loop Controls Transition State Formation in Escherichia Coli Respiratory Complex II

    Energy Technology Data Exchange (ETDEWEB)

    Tomasiak, T.M.; Maklashina, E.; Cecchini, G.; Iverson, T.M.

    2009-05-26

    In Escherichia coli, the complex II superfamily members succinate:ubiquinone oxidoreductase (SQR) and quinol:fumarate reductase (QFR) participate in aerobic and anaerobic respiration, respectively. Complex II enzymes catalyze succinate and fumarate interconversion at the interface of two domains of the soluble flavoprotein subunit, the FAD binding domain and the capping domain. An 11-amino acid loop in the capping domain (Thr-A234 to Thr-A244 in quinol:fumarate reductase) begins at the interdomain hinge and covers the active site. Amino acids of this loop interact with both the substrate and a proton shuttle, potentially coordinating substrate binding and the proton shuttle protonation state. To assess the loop's role in catalysis, two threonine residues were mutated to alanine: QFR Thr-A244 (act-T; Thr-A254 in SQR), which hydrogen-bonds to the substrate at the active site, and QFR Thr-A234 (hinge-T; Thr-A244 in SQR), which is located at the hinge and hydrogen-bonds the proton shuttle. Both mutations impair catalysis and decrease substrate binding. The crystal structure of the hinge-T mutation reveals a reorientation between the FAD-binding and capping domains that accompanies proton shuttle alteration. Taken together, hydrogen bonding from act-T to substrate may coordinate with interdomain motions to twist the double bond of fumarate and introduce the strain important for attaining the transition state.

  7. Antitumor activity of resveratrol is independent of Cu(II) complex formation in MCF-7 cell line.

    Science.gov (United States)

    Andrade Volkart, Priscylla; Benedetti Gassen, Rodrigo; Mühlen Nogueira, Bettina; Nery Porto, Bárbara; Eduardo Vargas, José; Arigony Souto, André

    2017-08-01

    Resveratrol (Rsv) is widely reported to possess anticarcinogenic properties in a plethora of cellular and animal models having limited toxicity toward normal cells. In the molecular level, Rsv can act as a suppressive agent for several impaired signaling pathways on cancer cells. However, Fukuhara and Miyata have shown a non-proteic reaction of Rsv, which can act as a prooxidant agent in the presence of copper (Cu), causing cellular oxidative stress accompanied of DNA damage. After this discovery, the complex Rsv-Cu was broadly explored as an antitumor mechanism in multiples tumor cell lines. The aim of the study is to explore the anticarcinogenic behavior of resveratrol-Cu(II) complex in MCF-7 cell line. Selectivity of Rsv binding to Cu ions was analyzed by HPLC and UV-VIS. The cells were enriched with concentrations of 10 and 50µM CuSO 4 solution and treated with 25µM of Rsv. Copper uptake after enrichment of cells, as its intracellular distribution in MCF-7 line, was scanned by ICP-MS and TEM-EDS. Cell death and intracellular ROS production were determined by flow cytometry. Different from the extracellular model, no relationship of synergy between Rsv-Cu(II) and reactive oxidative species (ROS) production was detected in vitro. ICP-MS revealed intracellular copper accumulation to both chosen concentrations (0.33±0.09 and 1.18±0.13ppb) but there is no promotion of cell death by Rsv-Cu(II) complex. In addition, significant attenuation of ROS production was detected when cells were exposed to CuSO 4 after Rsv treatment, falling from 7.54% of ROS production when treated only with Rsv to 3.07 and 2.72% with CuSO 4 . Based on these findings antitumor activity of resveratrol when in copper ions presence, is not mediated by Rsv-Cu complex formation in MCF-7 human cell line, suggesting that the antitumoral reaction is dependent of a cancer cellular model. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Relevance of carbon structure to formation of tar and liquid alkane during coal pyrolysis

    International Nuclear Information System (INIS)

    Liu, Peng; Le, Jiawei; Wang, Lanlan; Pan, Tieying; Lu, Xilan; Zhang, Dexiang

    2016-01-01

    Highlights: • Curve-fitting method was used to quantify the accurate contents of structural carbon. • Effect of carbon structure in coal with different rank on formation of pyrolysis tar was studied. • Numerical interrelation between carbon types in coal structure and tar yield is elaborated. • Effect of carbon structure on formation of liquid alkane during coal pyrolysis is discussed. - Abstract: The relevance of carbon structure to formation of tar and liquid alkane during coal pyrolysis were discussed extensively. The pyrolysis tests were carried out in a tube reactor at 873 K and keep 15 min. The carbon distribution in coals was investigated by solid state 13 C nuclear magnetic resonance (N.M.R.). The curve-fitting method was used to quantify the accurate contents of structural carbon. The alkanes in coal tar were analyzed by Gas Chromatograph–Mass Spectrometer (GC–MS). The results show that oxygen-linked aromatic carbon decreases with the increasing of coal rank. The aliphatic carbon contents of Huainan (HN) coal are 44.20%, the highest among the four coals. The carbon types in coal structure have a significant influence on the formation of tar and liquid alkane. The coal tar yields are related to the aliphatic substituted aromatic carbon, CH 2 /CH 3 ratio and oxygen-linked carbon in coal so that the increasing order of tar yield is Inner Mongolia lignite (IM, 6.30 wt.%) < Sinkiang coal (SK, 7.55 wt.%) < Shenmu coal (SM, 12.84 wt.%) < HN (16.29 wt.%). The highest contents of oxygen-linked aromatic carbon in IM lead to phenolic compound of 41.06% in IM-tar. The contents of alkane in SM-tar are the highest because the appropriate CH 2 /CH 3 ratio and the highest aliphatic side chains on aromatic rings in SM leading to generate aliphatic hydrocarbon with medium molecular weight easily. The mechanism on formation of tar and liquid alkane plays an important role in guiding the industrialization of pyrolysis-based poly-generation producing tar with high

  9. Molecular structure impacts on secondary organic aerosol formation from glycol ethers

    Science.gov (United States)

    Li, Lijie; Cocker, David R.

    2018-05-01

    Glycol ethers, a class of widely used solvents in consumer products, are often considered exempt as volatile organic compounds based on their vapor pressure or boiling points by regulatory agencies. However, recent studies found that glycol ethers volatilize at ambient conditions nearly as rapidly as the traditional high-volatility solvents indicating the potential of glycol ethers to form secondary organic aerosol (SOA). This is the first work on SOA formation from glycol ethers. The impact of molecular structure, specifically -OH, on SOA formation from glycol ethers and related ethers are investigated in the work. Ethers with and without -OH, with methyl group hindrance on -OH and with -OH at different location are studied in the presence of NOX and under "NOX free" conditions. Photooxidation experiments under different oxidation conditions confirm that the processing of ethers is a combination of carbonyl formation, cyclization and fragmentation. Bulk SOA chemical composition analysis and oxidation products identified in both gas and particle phase suggests that the presence and location of -OH in the carbon bond of ethers determine the occurrence of cyclization mechanism during ether oxidation. The cyclization is proposed as a critical SOA formation mechanism to prevent the formation of volatile compounds from fragmentation during the oxidation of ethers. Glycol ethers with -CH2-O-CH2CH2OH structure is found to readily form cyclization products, especially with the presence of NOx, which is more relevant to urban atmospheric conditions than without NOx. Glycol ethers are evaluated as dominating SOA precursors among all ethers studied. It is estimated that the contribution of glycol ethers to anthropogenic SOA is roughly 1% of the current organic aerosol from mobile sources. The contribution of glycol ethers to anthropogenic SOA is roughly 1% of the current organic aerosol from mobile sources and will play a more important role in future anthropogenic SOA

  10. Scanning tunneling microscopy investigation of nano-structured α-K5PW11(M x OH2)O39(M = Mn(II), Co(II), Ni(II), and Zn(II)) Keggin heteropolyacid catalyst monolayers.

    Science.gov (United States)

    Choi, Jung Ho; Kang, Tae Hun; Bang, Yongju; Yoo, Jaekyeong; Jun, Jin Oh; Song, In Kyu

    2014-11-01

    Nano-structured α-K5PW11(M x OH2)O39 (M = Mn(II), Co(II), Ni(II), and Zn(II)) Keggin heteropolyacids (HPAs) were investigated by scanning tunneling microscopy (STM) and tunneling spectroscopy (TS) measurements in order to elucidate their redox property and oxidation catalysis. HPA molecules formed two-dimensional self-assembled monolayer arrays on highly oriented pyrolytic graphite (HOPG) surface. Furthermore, HPAs exhibited a distinctive current-voltage behavior referred to as negative differential resistance (NDR) phenomenon. The measured NDR peak voltage of HPAs was correlated with the reduction potential and the absorption edge energy determined by electrochemical method and UV-visible spectroscopy, respectively. NDR peak voltage of HPAs appeared at less negative voltage with increasing reduction potential and with decreasing UV-visible absorption edge energy. The correlations strongly suggested that NDR phenomenon was closely related to the redox property of HPAs. Vapor-phase oxidation of benzyl alcohol to benzaldehyde was carried out as a model reaction to track the oxidation catalysis of HPAs. NDR peak voltage appeared at less negative voltage with increasing yield for benzaldehyde.

  11. Iron(III) species formed during iron(II) oxidation and iron-core formation in bacterioferritin of Escherichia coli

    International Nuclear Information System (INIS)

    Hawkins, C.; Treffry, A.; Mackey, J.; Williams, J.M.; Andrews, S.C.; Guest, J.R.; Harrison, P.M.

    1996-01-01

    This paper describes a preliminary investigation of the mechanisms of Fe(II) oxidation and storage of Fe(III) in the bacterioferritin of Escherichia coli (EcBFR). Using Moessbauer spectroscopy to examine the initial oxidation of iron by EcBFR it is confirmed that this ferritin exhibits 'ferroxidase' activity and is shown that dimeric and monomeric iron species are produced as intermediates. The characteristics of ferroxidase activity in EcBFR is compare d with those of human H-chain ferritin (HuHF) and discuss the different Moessbauer parameters of their dimeric iron with reference to the structures of their di-metal sites. In addition, it is presented preliminary findings suggesting that after an initial 'burst', the rate of oxidation is greatly reduced, possibly due to blockage of the ferroxidase centre by bound iron. A new component, not found in HuHF and probably representing a small cluster of Fe(III) atoms, is reported

  12. Formation of an Oxidant-Sensible Pd(II) Coordination Compound and Its [superscript 1]H NMR Specific Characterization: A Preparative and Analytical Challenge in Current Coordination Chemistry

    Science.gov (United States)

    Abraham, Maria L.; Oppel, Iris M.

    2014-01-01

    A three-part experiment that leads to the synthesis of palladium(II) complex starting from a C[subscript 3]-symmetric triaminoguanidinium-based ligand is presented. In the first part, the preparation of tris-benzylidenetriaminoguanidinium chloride ([H[subscript 6]Br[subscript 3]L]Cl) by an acidic catalyzed 3-fold imine formation reaction of…

  13. Specific binding of nisin to the peptidoglycan precursor lipid II combines pore formation and inhibition of cell wall biosynthesis for potent antibiotic activity

    NARCIS (Netherlands)

    Wiedemann, [No Value; Breukink, E; van Kraaij, C; Kuipers, O.P.; Bierbaum, G; de Kruijff, B; Sahl, HA

    2001-01-01

    Unlike numerous pore-forming amphiphilic peptide antibiotics, the lantibiotic nisin is active in nanomolar concentrations, which results from its ability to use the Lipid-bound cell wall precursor lipid II as a docking molecule for subsequent pore formation. Here we use genetically engineered nisin

  14. β-hairpin-mediated formation of structurally distinct multimers of neurotoxic prion peptides.

    Directory of Open Access Journals (Sweden)

    Andrew C Gill

    Full Text Available Protein misfolding disorders are associated with conformational changes in specific proteins, leading to the formation of potentially neurotoxic amyloid fibrils. During pathogenesis of prion disease, the prion protein misfolds into β-sheet rich, protease-resistant isoforms. A key, hydrophobic domain within the prion protein, comprising residues 109-122, recapitulates many properties of the full protein, such as helix-to-sheet structural transition, formation of fibrils and cytotoxicity of the misfolded isoform. Using all-atom, molecular simulations, it is demonstrated that the monomeric 109-122 peptide has a preference for α-helical conformations, but that this peptide can also form β-hairpin structures resulting from turns around specific glycine residues of the peptide. Altering a single amino acid within the 109-122 peptide (A117V, associated with familial prion disease increases the prevalence of β-hairpin formation and these observations are replicated in a longer peptide, comprising residues 106-126. Multi-molecule simulations of aggregation yield different assemblies of peptide molecules composed of conformationally-distinct monomer units. Small molecular assemblies, consistent with oligomers, comprise peptide monomers in a β-hairpin-like conformation and in many simulations appear to exist only transiently. Conversely, larger assemblies are comprised of extended peptides in predominately antiparallel β-sheets and are stable relative to the length of the simulations. These larger assemblies are consistent with amyloid fibrils, show cross-β structure and can form through elongation of monomer units within pre-existing oligomers. In some simulations, assemblies containing both β-hairpin and linear peptides are evident. Thus, in this work oligomers are on pathway to fibril formation and a preference for β-hairpin structure should enhance oligomer formation whilst inhibiting maturation into fibrils. These simulations provide an

  15. β-Hairpin-Mediated Formation of Structurally Distinct Multimers of Neurotoxic Prion Peptides

    Science.gov (United States)

    Gill, Andrew C.

    2014-01-01

    Protein misfolding disorders are associated with conformational changes in specific proteins, leading to the formation of potentially neurotoxic amyloid fibrils. During pathogenesis of prion disease, the prion protein misfolds into β-sheet rich, protease-resistant isoforms. A key, hydrophobic domain within the prion protein, comprising residues 109–122, recapitulates many properties of the full protein, such as helix-to-sheet structural transition, formation of fibrils and cytotoxicity of the misfolded isoform. Using all-atom, molecular simulations, it is demonstrated that the monomeric 109–122 peptide has a preference for α-helical conformations, but that this peptide can also form β-hairpin structures resulting from turns around specific glycine residues of the peptide. Altering a single amino acid within the 109–122 peptide (A117V, associated with familial prion disease) increases the prevalence of β-hairpin formation and these observations are replicated in a longer peptide, comprising residues 106–126. Multi-molecule simulations of aggregation yield different assemblies of peptide molecules composed of conformationally-distinct monomer units. Small molecular assemblies, consistent with oligomers, comprise peptide monomers in a β-hairpin-like conformation and in many simulations appear to exist only transiently. Conversely, larger assemblies are comprised of extended peptides in predominately antiparallel β-sheets and are stable relative to the length of the simulations. These larger assemblies are consistent with amyloid fibrils, show cross-β structure and can form through elongation of monomer units within pre-existing oligomers. In some simulations, assemblies containing both β-hairpin and linear peptides are evident. Thus, in this work oligomers are on pathway to fibril formation and a preference for β-hairpin structure should enhance oligomer formation whilst inhibiting maturation into fibrils. These simulations provide an important new

  16. STAR FORMATION LAWS AND THRESHOLDS FROM INTERSTELLAR MEDIUM STRUCTURE AND TURBULENCE

    International Nuclear Information System (INIS)

    Renaud, Florent; Kraljic, Katarina; Bournaud, Frédéric

    2012-01-01

    We present an analytical model of the relation between the surface density of gas and star formation rate in galaxies and clouds, as a function of the presence of supersonic turbulence and the associated structure of the interstellar medium (ISM). The model predicts a power-law relation of index 3/2, flattened under the effects of stellar feedback at high densities or in very turbulent media, and a break at low surface densities when ISM turbulence becomes too weak to induce strong compression. This model explains the diversity of star formation laws and thresholds observed in nearby spirals and their resolved regions, the Small Magellanic Cloud, high-redshift disks and starbursting mergers, as well as Galactic molecular clouds. While other models have proposed interstellar dust content and molecule formation to be key ingredients to the observed variations of the star formation efficiency, we demonstrate instead that these variations can be explained by ISM turbulence and structure in various types of galaxies.

  17. Indole affects the formation of multicellular aggregate structures in Pantoea agglomerans YS19.

    Science.gov (United States)

    Yu, Xuemei; Jiang, Jing; Liang, Chen; Zhang, Xiao; Wang, Jieru; Shen, Delong; Feng, Yongjun

    2016-01-01

    Pantoea agglomerans YS19 is an endophytic diazotrophic bacterium isolated from rice. As well as having the ability to form a biofilm, as do most bacteria, it is characterized by the formation of a unique multicellular aggregate structure called symplasmata. Indole is traditionally known as a metabolite of the amino acid tryptophan, which, however, has recently been shown to participate in various regulations of bacterial physiological processes, including stress resistance, quorum sensing and biofilm formation. Here, an indole signal was found to promote symplasmata formation, yet inhibit biofilm formation, indicating different regulatory pathways of indole in the construction of the two structures. However, symplasmata showed almost an equivalent stress-resistant capability, as compared with biofilms, for YS19 to confront acids, heavy metals (Cu(2+)), and UV treatments. Moreover, indole was tested to show a promoting effect on exopolysaccharides (EPS) production and an inhibition effect on the expression of an outer membrane protein OmpW. These results provide evidence for understanding the regulatory mechanisms of indole on such multicellular aggregates.

  18. BOOK REVIEW: Structures in the Universe by Exact Methods: Formation, Evolutions, Interactions (Cambridge Monographs on Mathematical Physics) Structures in the Universe by Exact Methods: Formation, Evolutions, Interactions (Cambridge Monographs on Mathematical Physics)

    Science.gov (United States)

    Coley, Alan

    2010-05-01

    In this book the use of inhomogeneous models in cosmology, both in modelling structure formation and interpreting cosmological observations, is discussed. The authors concentrate on exact solutions, and particularly the Lemaitre-Tolman (LT) and Szekeres models (the important topic of averaging is not discussed). The book serves to demonstrate that inhomogeneous metrics can generate realistic models of cosmic structure formation and nonlinear evolution and shows that general relativity has a lot more to offer to cosmology than just the standard spatially homogeneous FLRW model. I would recommend this book to people working in theoretical cosmology. In the introduction (and in the concluding chapter and throughout the book) a reasonable discussion of the potential problems with the standard FLRW cosmology is presented, and a list of examples illustrating the limitations of standard FLRW cosmology are discussed (including potential problems with perturbation methods). In particular, the authors argue that the assumptions of isotropy and spatial homogeneity (and consequently the Copernican principle) must be properly challenged and revisited. Indeed, it is possible for `good old general relativity' to be used to explain cosmological observations without introducing speculative elements. In part I of the book the necessary background is presented (readers need a background in general relativity theory at an advanced undergraduate or graduate level). There is a good (and easy to read) review of the exact spherically symmetric dust Lemaitre-Tolman model (LT) (often denoted the LTB model) and the Lemaitre and Szekeres models. Light propogation (i.e. null geodesics, for both central and off-center observers) in exact inhomogeneous (LT) models is reviewed. In part II a number of applications of exact inhomogeneous models are presented (taken mainly from the authors' own work). In chapter 4, the evolution of exact inhomogeneous models (primarily the LT model, but also the

  19. Formation of gut-like structures in vitro from mouse embryonic stem cells.

    Science.gov (United States)

    Torihashi, Shigeko

    2006-01-01

    Embryonic stem (ES) cells have the potential to differentiate into all cell types originating from the three germ layers; however, there are still few reports about the formation of functional organs from embryonic stem cells. Recently, we reported that by hanging drops of mouse ES cells, embryoid bodies (EBs) formed gut-like structures in vitro composed of three layers corresponding to the epithelium, lamina propria, and musculature. The morphological features and the process of formation are similar to gut and its organogenesis in vivo. Thus, this is a good model for development of the gut and a useful tool for analysis of the factors required for gut organogenesis. The protocol basically involves a method of hanging drops to make EBs, which are then plated on coated dishes for outgrowth. EBs develop to form gut-like structures when induced to spontaneously enter a program of differentiation in vitro without addition of any extrinsic factors.

  20. Protein Data Bank Japan (PDBj): maintaining a structural data archive and resource description framework format.

    Science.gov (United States)

    Kinjo, Akira R; Suzuki, Hirofumi; Yamashita, Reiko; Ikegawa, Yasuyo; Kudou, Takahiro; Igarashi, Reiko; Kengaku, Yumiko; Cho, Hasumi; Standley, Daron M; Nakagawa, Atsushi; Nakamura, Haruki

    2012-01-01

    The Protein Data Bank Japan (PDBj, http://pdbj.org) is a member of the worldwide Protein Data Bank (wwPDB) and accepts and processes the deposited data of experimentally determined macromolecular structures. While maintaining the archive in collaboration with other wwPDB partners, PDBj also provides a wide range of services and tools for analyzing structures and functions of proteins, which are summarized in this article. To enhance the interoperability of the PDB data, we have recently developed PDB/RDF, PDB data in the Resource Description Framework (RDF) format, along with its ontology in the Web Ontology Language (OWL) based on the PDB mmCIF Exchange Dictionary. Being in the standard format for the Semantic Web, the PDB/RDF data provide a means to integrate the PDB with other biological information resources.

  1. Single- and multi-pulse formation of surface structures under static femtosecond irradiation

    Science.gov (United States)

    Guillermin, M.; Garrelie, F.; Sanner, N.; Audouard, E.; Soder, H.

    2007-07-01

    Femtosecond surface structure modifications are investigated under irradiation with laser pulses of 150 fs at 800 nm, on copper and silicon. We report sub-wavelength periodic structures formation (ripples) with a periodicity of 500 nm for both materials. These ripples are perpendicular to the laser polarization and can be obtained with only one pulse. The formation of these ripples corresponds to a fluence threshold of 1 J/cm 2 for copper and 0.15 J/cm 2 for silicon. We find several morphologies when more pulses are applied: larger ripples parallel to the polarization are formed with a periodicity of 1 μm and degenerate into a worm-like morphology with a higher number of pulses. In addition, walls of deep holes also show sub-wavelength and large ripples.

  2. Formation of silver microbelt structures by laser irradiation of silver nanoparticles in ethanol

    Directory of Open Access Journals (Sweden)

    Zamiri R

    2011-10-01

    Full Text Available Reza Zamiri1, Azmi Zakaria1,2, Mohd Shahril Husin1, Zaidan Abd Wahab1, Forough Kalaei Nazarpour3 1Department of Physics, Faculty of Science, 2Advanced Materials and Nanotechnology Laboratory, Institute of Advanced Technology, 3Institute of Bioscience, Universiti Putra Malaysia, Serdang, Selangor, Malaysia Abstract: In the present work, we prepared silver nanoparticles by laser ablation of pure silver plate in ethanol and then irradiated the silver nanoparticles using a 532 nm Q-switched Nd:YAG pulsed laser. Transmission electron microscopic images of the sample after irradiation clearly showed formation of big structures, such as microrods and microbelts in ethanol. The obtained microbelts had a width of about 0.166 µm and a length of 1.472 µm. The reason for the formation of such a big structure is the tendency of the nanoparticles to aggregate in ethanol before irradiation, which causes fusion of the nanoparticles. Keywords: nanomaterial, laser ablation, nanoparticles

  3. Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

    Energy Technology Data Exchange (ETDEWEB)

    Vlasic, Thomas M.; Servio, Phillip; Rey, Alejandro D., E-mail: alejandro.rey@mcgill.ca [Department of Chemical Engineering, McGill University, Montreal H3A 0C5 (Canada)

    2016-08-15

    This work uses density functional theory (DFT) to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane), at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS) for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu) were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better than the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.

  4. Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

    Directory of Open Access Journals (Sweden)

    Thomas M. Vlasic

    2016-08-01

    Full Text Available This work uses density functional theory (DFT to investigate the poorly characterized structure II gas hydrates, for various guests (empty, propane, butane, ethane-methane, propane-methane, at the atomistic scale to determine key structure and mechanical properties such as equilibrium lattice volume and bulk modulus. Several equations of state (EOS for solids (Murnaghan, Birch-Murnaghan, Vinet, Liu were fitted to energy-volume curves resulting from structure optimization simulations. These EOS, which can be used to characterize the compressional behaviour of gas hydrates, were evaluated in terms of their robustness. The three-parameter Vinet EOS was found to perform just as well if not better than the four-parameter Liu EOS, over the pressure range in this study. As expected, the Murnaghan EOS proved to be the least robust. Furthermore, the equilibrium lattice volumes were found to increase with guest size, with double-guest hydrates showing a larger increase than single-guest hydrates, which has significant implications for the widely used van der Waals and Platteeuw thermodynamic model for gas hydrates. Also, hydrogen bonds prove to be the most likely factor contributing to the resistance of gas hydrates to compression; bulk modulus was found to increase linearly with hydrogen bond density, resulting in a relationship that could be used predictively to determine the bulk modulus of various structure II gas hydrates. Taken together, these results fill a long existing gap in the material chemical physics of these important clathrates.

  5. The role of milk proteins in the structure formation of dairy products

    Directory of Open Access Journals (Sweden)

    O. Rybak

    2015-05-01

    Full Text Available Introduction. The structure of dairy products is a complex of proteins, fat, minerals and water that determines the texture and sensory properties of the product. Material and methods. The fermented milks (using the example of yogurt, cheese, ice cream, aerated milk and frozen fruit desserts have been researched. Scientific articles, published during 2000 and 2014 years, as well as theses and monographs of dairy science have been analysed too. Methodology of the investigation is based upon the use of the methods of analysis, comparison and synthesis. Results and discussion. The scientific understanding of the milk proteins’ role in the structure formation of dairy product has been summarized. Negligible changes of structure as a result of compositional or technological changes can lead to shifts in the stability, texture and rheology of products, which are closely related to each other. The allowance of these properties has significant influence on the manufacturing. Acid coagulation is a major functional property of milk proteins, which used in the structure formation of cheese and fermented dairy products. However, the form and properties of milk curd depend on the heat treatment of milk before fermentation. Milk proteins exhibit other functional properties (emulsification and partial coalescence o f fatglobules, aeration and foam stability during a churning, viscosity increasing of external phase in the development of structure in the ice cream, aerated milk and frozen fruit desserts. Conclusions.It is expedient to use results into a further study of the structure formation mechanism of dairy products and the development of recommendations in order to an efficient production.

  6. The role of milk proteins in the structure formation of dairy products

    Directory of Open Access Journals (Sweden)

    Olga Rybak

    2014-09-01

    Full Text Available Introduction. The structure of dairy products is a complex of proteins, fat, minerals and water that determines the texture and sensory properties of the product. Material and methods. The fermented milks (using the example of yogurt, cheese, ice cream, aerated milk and frozen fruit desserts have been researched. Scientific articles, published during 2000 and 2014 years, as well as theses and monographs of dairy science have been analysed too. Methodology of the investigation is based upon the use of the methods of analysis, comparison and synthesis. Results and discussion. The scientific understanding of the milk proteins’ role in the structure formation of dairy product has been summarized. Negligible changes of structure as a result of compositional or technological changes can lead to shifts in the stability, texture and rheology of products, which are closely related to each other. The allowance of these properties has significant influence on the manufacturing. Acid coagulation is a major functional property of milk proteins, which used in the structure formation of cheese and fermented dairy products. However, the form and properties of milk curd depend on the heat treatment of milk before fermentation. Milk proteins exhibit other functional properties (emulsification and partial coalescence of fat globules, aeration and foam stability during a churning, viscosity increasing of external phase in the development of structure in the ice cream, aerated milk and frozen fruit desserts. Conclusions. It is expedient to use results into a further study of the structure formation mechanism of dairy products and the development of recommendations in order to an efficient production.

  7. The role of milk proteins in the structure formation of dairy products

    Directory of Open Access Journals (Sweden)

    Olga Rybak

    2015-04-01

    Full Text Available Introduction. The structure of dairy products is a complex of proteins, fat, minerals and water that determines the texture and sensory properties of the product. Material and methods. The fermented milks (using the example of yogurt, cheese, ice cream, aerated milk and frozen fruit desserts have been researched. Scientific articles, published during 2000 and 2014 years, as well as theses and monographs of dairy science have been analysed too. Methodology of the investigation is based upon the use of the methods of analysis, comparison and synthesis. Results and discussion. The scientific understanding of the milk proteins’ role in the structure formation of dairy product has been summarized. Negligible changes of structure as a result of compositional or technological changes can lead to shifts in the stability, texture and rheology of products, which are closely related to each other. The allowance of these properties has significant influence on the manufacturing. Acid coagulation is a major functional property of milk proteins, which used in the structure formation of cheese and fermented dairy products. However, the form and properties of milk curd depend on the heat treatment of milk before fermentation. Milk proteins exhibit other functional properties (emulsification and partial coalescence of fat globules, aeration and foam stability during a churning, viscosity increasing of external phase in the development of structure in the ice cream, aerated milk and frozen fruit desserts. Conclusions. It is expedient to use results into a further study of the structure formation mechanism of dairy products and the development of recommendations in order to an efficient production.

  8. New nano-complexes of Zn(II), Cu(II), Ni(II) and Co(II) ions; spectroscopy, thermal, structural analysis, DFT calculations and antimicrobial activity application

    Science.gov (United States)

    El-Shafiy, Hoda F.; Saif, M.; Mashaly, Mahmoud M.; Halim, Shimaa Abdel; Eid, Mohamed F.; Nabeel, A. I.; Fouad, R.

    2017-11-01

    This work presents synthesis, characterization, and application of several metal (II) complexes with (E)-2-hydroxy-N/-((thiophen-2-yl)methylene)benzohydrazide (H2L). Prepared complexes were identified by elemental, thermal, FT-IR, UV-Vis, 1H NMR, and XRD analysis, as well as molar conductivity and magnetic moment measurements. Changes in FT-IR and 1H NMR spectra of hydrazone ligand upon coordination indicated that the ligand behaves the same way as a monoanonic ligand with ONS donor sites. Kinetic parameters were determined for each thermal degradation stage of the ligand and its complexes using 'Coats-Redfern' method. All results confirm that all prepared compounds have 1:2 metal-to-ligand stoichiometry except Zn(II) complex, which has 1:1 metal-to-ligand stoichiometry. The antimicrobial activity for complexes was investigated. The antimicrobial activity results revealed that Zn(II) complex (1) has a good potency against gram positive bacteria (E. coli) and gram negative bacteria (P. vulgaris) in comparision with doxymycin standard, AT B3LYP/6-311G (d,p) level, Density Functional Theory (DFT) calculations were carried out to investigate the optimized structure of both, the ligand and the complexes. Total energy, energy of HOMO, and LUMO as well as Mullikan atomic charges were calculated. Dipole moment, orientation, and structure activity relationship were performed and discussed.DFT calculations, moreover, confirmed practical antimicrobial results.

  9. Role of Acoustoelectric Interaction in the Formation of Nanoscale Periodic Structures of Adsorbed Atoms

    Energy Technology Data Exchange (ETDEWEB)

    Peleshchak, R. M., E-mail: peleshchak@rambler.ru; Lazurchak, I. I.; Kuzyk, O. V.; Dan’kiv, O. O. [Ivan Franko Drohobych State Pedagogical University (Ukraine); Zegrya, G. G. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation)

    2016-03-15

    The role of acoustoelectric effects in the formation of nanoscale structures of adatoms, resulting from the self-consistent interaction of adatoms with a surface acoustic wave and the electronic subsystem, is studied for the case of charged and uncharged adatoms. It is shown that an increase in the doping level of a semiconductor with donor impurities at a fixed average adatom concentration results in an increase in the critical temperature below which self-organization processes occur.

  10. First Synthesis of a Binuclear [Mn(II)(bipy)-Fe(III)(porphyrin)] Complex: Spectroscopic Characterization and First Evidence of Reversible Formation of Manganese(III) as Manganese Peroxidase.

    Science.gov (United States)

    Policar, Clotilde; Artaud, Isabelle; Mansuy, Daniel

    1996-01-03

    A [(P)Fe(III)-Mn(II)] bimetallic complex, mimicking the active site of manganese peroxidase, has been synthesized. A modified highly fluorinated porphyrin, 5,10,15-tris(pentafluorophenyl)-20-(o-aminophenyl)porphyrin, has been used to introduce, through a short spacer linked to the amino function, a manganese auxiliary ligand, 6-aminomethyl-2,2'-bipyridine. Two successive metalations by FeCl(2) and MnCl(2) afforded the [(P)Fe(III)-Mn(II)] bimetallic complex that has been characterized by elemental analysis and FAB(+) mass spectrometry. X-band EPR spectroscopy and magnetic susceptibility measurements were in agreement with two high spin Fe(III) and Mn(II) centers without magnetic exchange interaction. Moreover, there is no higher intermolecular association through &mgr;-chloro bridging as observed by EPR with a simpler chloromanganese complex, Mn(bipy)(2)Cl(2), at high concentration. Addition of pentafluoroiodosobenzene in methanol at 0 degrees C led to the progressive and complete disappearance of the EPR Mn(II) signals, that were recovered after addition of a phenol. This result is consistent with Mn(III) formation. This production of Mn(III) requires the presence of the iron porphyrin and is proposed to occur through the intermediate formation of a Fe(IV) dimethoxide species which can be related to the oxidation of Mn(II) catalyzed by manganese peroxidase compound II.

  11. Film-thickness dependence of structure formation in ultra-thin polymer blend films

    CERN Document Server

    Gutmann, J S; Stamm, M

    2002-01-01

    We investigated the film-thickness dependence of structure formation in ultra-thin polymer blend films prepared from solution. As a model system we used binary blends of statistical poly(styrene-co-p-bromostyrene) copolymers of different degrees of bromination. Ultra-thin-film samples differing in miscibility and film thickness were prepared via spin coating of common toluene solutions onto silicon (100) substrates. The resulting morphologies were investigated with scanning force microscopy, reflectometry and grazing-incidence scattering techniques using both X-rays and neutrons in order to obtain a picture of the sample structure at and below the sample surface. (orig.)

  12. Research on the nanolevel influence of surfactants on structure formation of the hydrated Portland cement compositions

    Directory of Open Access Journals (Sweden)

    Guryanov Alexander

    2016-01-01

    Full Text Available The research of the structure formation process on a nanolevel of the samples of hydrated Portland cement compositions containing the modifying additives has been conducted with the help of small angle neutron scattering method. Carbonate and aluminum alkaline slimes as well as the complex additives containing surfactants were used as additives. The influence of slimes and surfactants on structural parameters change of Portland cement compositions of the average size of the disseminating objects, fractal dimension samples is considered. These Portland cement compositions are shown to be fractal clusters.

  13. Complex Formation in a Liquid-Liquid Extraction System Containing Cobalt(II, 4-(2-Pyridylazoresorcinol, and Nitron

    Directory of Open Access Journals (Sweden)

    Petya Vassileva Racheva

    2013-01-01

    Full Text Available Complex formation and liquid-liquid extraction were studied in a system containing cobalt(II, 4-(2-pyridylazoresorcinol (PAR, 1,4-diphenyl-3-(phenylamino-1H-1,2,4-triazole (Nitron, Nt, water, and chloroform. The effect of some experimental parameters (pH, shaking time, concentration of PAR, and concentration of Nt was systematically investigated, and the optimum conditions for cobalt extraction as an ion-association complex, (NtH+[Co3+(PAR2], were found. The following key equilibrium constants were calculated: constant of association (Log β=4.77±0.06, constant of distribution (LogKD=1.34±0.01, and constant of extraction (LogKex=6.11±0.07. Beer’s law was obeyed for Co concentrations up to 1.7 μg mL−1 with a molar absorptivity of 6.0×104 L mol−1 cm−1 at λmax=520 nm. Some additional characteristics, such as limit of detection, limit of quantification, and Sandell’s sensitivity, were estimated as well.

  14. Curcumin Prevents Formation of Polyglutamine Aggregates by Inhibiting Vps36, a Component of the ESCRT-II Complex

    Science.gov (United States)

    Verma, Meenakshi; Sharma, Abhishek; Naidu, Swarna; Bhadra, Ankan Kumar; Kukreti, Ritushree; Taneja, Vibha

    2012-01-01

    Small molecules with antioxidative properties have been implicated in amyloid disorders. Curcumin is the active ingredient present in turmeric and known for several biological and medicinal effects. Adequate evidence substantiates the importance of curcumin in Alzheimer's disease and recent evidence suggests its role in Prion and Parkinson's disease. However, contradictory effects have been suggested for Huntington's disease. This difference provided a compelling reason to investigate the effect of curcumin on glutamine-rich (Q-rich) and non-glutamine-rich (non Q-rich) amyloid aggregates in the well established yeast model system. Curcumin significantly inhibited the formation of htt72Q-GFP (a Q-rich) and Het-s-GFP (a non Q-rich) aggregates in yeast. We show that curcumin prevents htt72Q-GFP aggregation by down regulating Vps36, a component of the ESCRT-II (Endosomal sorting complex required for transport). Moreover, curcumin disrupted the htt72Q-GFP aggregates that were pre-formed in yeast and cured the yeast prion, [PSI +]. PMID:22880132

  15. Flexible porous coordination polymer of Ni(II) for developing nanoparticles through acid formation and redox activity of the framework

    Science.gov (United States)

    Agarwal, Rashmi A.

    2017-10-01

    Immobilization of the nanoparticles (NPs) in a two dimensional porous coordination polymer (PCP) is currently an emerging field for a number of applications. But still it is a great challenge to fabricate any specified metal NPs in a single network. Herein the synthesis of Au, Pd, Mn, Fe, Cu, Zn, Mg, Li, Fe/Cu, Zn/Mg etc, NPs in a highly flexible PCP of Ni(II); {[Ni3(TBIB)2(BTC)2(H2O)6]·5C2H5OH·9H2O}n [TBIB = 1,3,5-tri(1H-benzo[d]imidazol-1-yl)benzene, H3BTC = 1,3,5-benzenetricarboxylic acid] have been reported. This universal host is able to grow mixed metal NPs from mixed metal precursors. Monodentate carboxylate groups of BTC linker act as anchoring sites for the metal ions of the metal precursors. This is the main driving force to grow NPs within the cavities along with the high flexibility of this polymer at room temperature. Mechanism involves acid formation followed by redox reaction to synthesize metal NPs explained by EPR and FTIR. Paramagnetic properties have been shown by as-synthesized Fe NPs integrated framework at room temperature under applied magnetic field up to 17,500 Oe.

  16. Structure formation in turbulent plasmas - test of nonlinear processes in plasma experiments

    International Nuclear Information System (INIS)

    Itoh, S.-I.; Yagi, Masatoshi; Inagaki, Shigeru

    2009-01-01

    Full text: Recent developments in plasma physics, either in the fusion research in a new era of ITER, or in space and in astro-physics, the world-wide and focused research has been developed on the subject of structural formation in turbulent plasma being associated with electro-magnetic field formation. Keys for the progress were a change of the physics view from the 'linear, local and deterministic' picture to the description based on 'nonlinear instability, nonlocal interaction and probabilistic excitation' for the turbulent state, and the integration of the theory-simulation-experiment. In this presentation, we first briefly summarize the theory of microscopic turbulence and mesoscale fluctuations and selection rules. In addition, the statistical formation of large-scale structure/deformation by turbulence is addressed. Then, the experimental measurements of the mesoscale structures (e.g., zonal flows, zonal fields, streamer and transport interface) and of the nonlinear interactions among them in turbulent plasmas are reported. Confirmations by, and new challenges from, the experiments are overviewed. Work supported by the Grant-in-Aid for Specially-Promoted Research (16002005). (author)

  17. A model of social network formation under the impact of structural balance

    Science.gov (United States)

    Li, Pei; Cheng, Jiajun; Chen, Yingwen; Wang, Hui

    2016-03-01

    Social networks have attracted remarkable attention from both academic and industrial societies and it is of great importance to understand the formation of social networks. However, most existing research cannot be applied directly to investigate social networks, where relationships are heterogeneous and structural balance is a common phenomenon. In this paper, we take both positive and negative relationships into consideration and propose a model to characterize the process of social network formation under the impact of structural balance. In this model, a new node first establishes a link with an existing node and then tries to connect to each of the newly connected node’s neighbors. If a new link is established, the type of this link is determined by structural balance. Then we analyze the degree distribution of the generated network theoretically, and estimate the fractions of positive and negative links. All analysis results are verified by simulations. These results are of importance to understand the formation of social networks, and the model can be easily extended to consider more realistic situations.

  18. Rational assembly of soluble copper(II) phosphonates: synthesis, structure and magnetism of molecular tetranuclear copper(II) phosphonates.

    Science.gov (United States)

    Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Sañudo, E Carolina

    2011-02-21

    The reactions of the dinuclear copper complexes [Cu(2)(L)(OAc)] [H(3)L = N,N'-(2-hydroxypropane-1,3-diyl)bis(salicylaldimine) or [Cu(2)(L')(OAc)] (H(3)L' = N,N'-(2-hydroxypropane-1,3-diyl)bis(4,5-dimethylsalicylaldimine)] with various phosphonic acids, RPO(3)H(2) (R = t-Bu, Ph, c-C(5)H(9), c-C(6)H(11) or 2,4,6-i-Pr(3)-C(6)H(2)), leads to the replacement of the acetate bridge affording tetranuclear copper(II) phosphonates, [Cu(4)(L)(2)(t-BuPO(3))](CH(3)OH)(2)(C(6)H(6)) (1), [Cu(4)(L)(2)(PhPO(3))(H(2)O)(2)(NMe(2)CHO)](H(2)O)(2) (2), [Cu(4)(L')(2)(C(5)H(9)PO(3))](CH(3)OH)(2) (3), [Cu(4)(L')(2)(C(6)H(11)PO(3)](MeOH)(4)(H(2)O)(2) (4) and [Cu(4)(L')(2)(C(30)H(46)P(2)O(5))](PhCH(3)) (5). The molecular structures of 1-4 reveal that a [RPO(3)](2-) ligand is involved in holding the four copper atoms together by a 4.211 coordination mode. In 5, an in situ formed [(RPO(2))(2)O](4-) ligand bridges two pairs of the dinuclear subunits. Magnetic studies on these complexes reveal that the phosphonate ligand is an effective conduit for magnetic interaction among the four copper centers present; a predominantly antiferromagnetic interaction is observed at low temperatures.

  19. Golgi structure formation, function, and post-translational modifications in mammalian cells.

    Science.gov (United States)

    Huang, Shijiao; Wang, Yanzhuang

    2017-01-01

    The Golgi apparatus is a central membrane organelle for trafficking and post-translational modifications of proteins and lipids in cells. In mammalian cells, it is organized in the form of stacks of tightly aligned flattened cisternae, and dozens of stacks are often linked laterally into a ribbon-like structure located in the perinuclear region of the cell. Proper Golgi functionality requires an intact architecture, yet Golgi structure is dynamically regulated during the cell cycle and under disease conditions. In this review, we summarize our current understanding of the relationship between Golgi structure formation, function, and regulation, with focus on how post-translational modifications including phosphorylation and ubiquitination regulate Golgi structure and on how Golgi unstacking affects its functions, in particular, protein trafficking, glycosylation, and sorting in mammalian cells.

  20. Formation and structure of V-Zr amorphous alloy thin films

    KAUST Repository

    King, Daniel J M

    2015-01-01

    Although the equilibrium phase diagram predicts that alloys in the central part of the V-Zr system should consist of V2Zr Laves phase with partial segregation of one element, it is known that under non-equilibrium conditions these materials can form amorphous structures. Here we examine the structures and stabilities of thin film V-Zr alloys deposited at room temperature by magnetron sputtering. The films were characterized by X-ray diffraction, transmission electron microscopy and computational methods. Atomic-scale modelling was used to investigate the enthalpies of formation of the various competing structures. The calculations confirmed that an amorphous solid solution would be significantly more stable than a random body-centred solid solution of the elements, in agreement with the experimental results. In addition, the modelling effort provided insight into the probable atomic configurations of the amorphous structures allowing predictions of the average distance to the first and second nearest neighbours in the system.

  1. Spontaneous formation of complex structures made from elastic membranes in an aluminum-hydroxide-carbonate system

    Science.gov (United States)

    Kiehl, Micah; Kaminker, Vitaliy; Pantaleone, James; Nowak, Piotr; Dyonizy, Agnieszka; Maselko, Jerzy

    2015-06-01

    A popular playground for studying chemo-hydrodynamic patterns and instabilities is chemical gardens, also known as silicate gardens. In these systems, complex structures spontaneously form, driven by buoyant forces and either osmotic or mechanical pumps. Here, we report on systems that differ somewhat from classical chemical gardens in that the membranes are much more deformable and soluble. These properties lead to structures that self-construct and evolve in new ways. For example, they exhibit the formation of chemical balloons, a new growth mechanism for tubes, and also the homologous shrinking of these tubes. The stretching mechanism for the membranes is probably different than for other systems by involving membrane "self-healing." Other unusual properties are osmosis that sometimes occurs out of the structure and also small plumes that flow away from the structure, sometimes upwards, and sometimes downwards. Mathematical models are given that explain some of the observed phenomena.

  2. Halide/pseudohalide complexes of cadmium(II) with benzimidazole: Synthesis, crystal structures and fluorescence properties

    Science.gov (United States)

    Zhao, Hai-Yan; Yang, Fu-Li; Li, Na; Wang, Xiao-Jing

    2017-11-01

    Two new dinuclear Cd(II) complexes, [CdL1Cl2]2·H2O (1) and [CdL1(N3)2]2·CH3OH (2) and one dicyanamide bridged one-dimensional polynuclear network [CdL1(μ1,5-dca)dca]n (3) of the potentially tridentate NNN-donor Schiff base 2-((1H-benzimidazol-2-yl-ethylimino)-methyl)pyridine (L1) and another dinucler Cd(II) complex [CdL2Cl(dca)]2 (4) of a similar NNN-donor Schiff base ligand 2-((1H-benzimidazol-2-yl-propylimino)-methyl)pyridine (L2), have been synthesized and characterized by elemental analyses, IR and single crystal X-ray crystallography. The ligands L1 and L2 are [1 + 1] condensation products of pyridine-2-carbaldehyde with 2-aminoethyl-1H-benzimidazole and 2-aminopropyl-1H-benzimidazole, respectively. In the complexes 1 and 4 the two Cd(II) centers are held together by the bridged chloride ligands, while in 2 the two Cd(II) centers are bridged by μ1,1-azide ions. Complex 3 has a one-dimensional infinite chain structure in which Cd(II) ions are bridged by single dicyanamide groups in end-to-end fashion. All the metal centers have a distorted octahedral geometry and H-bonding or π⋯π interactions are operative to bind the complex units in the solid state. Furthermore, these complexes have been investigated by thermogravimetric analyses and fluorescence spectra.

  3. Structural and evolutionary aspects of antenna chromophore usage by class II photolyases.

    Science.gov (United States)

    Kiontke, Stephan; Gnau, Petra; Haselsberger, Reinhard; Batschauer, Alfred; Essen, Lars-Oliver

    2014-07-11

    Light-harvesting and resonance energy transfer to the catalytic FAD cofactor are key roles for the antenna chromophores of light-driven DNA photolyases, which remove UV-induced DNA lesions. So far, five chemically diverse chromophores have been described for several photolyases and related cryptochromes, but no correlation between phylogeny and used antenna has been found. Despite a common protein topology, structural analysis of the distantly related class II photolyase from the archaeon Methanosarcina mazei (MmCPDII) as well as plantal orthologues indicated several differences in terms of DNA and FAD binding and electron transfer pathways. For MmCPDII we identify 8-hydroxydeazaflavin (8-HDF) as cognate antenna by in vitro and in vivo reconstitution, whereas the higher plant class II photolyase from Arabidopsis thaliana fails to bind any of the known chromophores. According to the 1.9 Å structure of the MmCPDII·8-HDF complex, its antenna binding site differs from other members of the photolyase-cryptochrome superfamily by an antenna loop that changes its conformation by 12 Å upon 8-HDF binding. Additionally, so-called N- and C-motifs contribute as conserved elements to the binding of deprotonated 8-HDF and allow predicting 8-HDF binding for most of the class II photolyases in the whole phylome. The 8-HDF antenna is used throughout the viridiplantae ranging from green microalgae to bryophyta and pteridophyta, i.e. mosses and ferns, but interestingly not in higher plants. Overall, we suggest that 8-hydroxydeazaflavin is a crucial factor for the survival of most higher eukaryotes which depend on class II photolyases to struggle with the genotoxic effects of solar UV exposure. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

  4. Adsorption and desorption of Cd(II) onto titanate nanotubes and efficient regeneration of tubular structures

    International Nuclear Information System (INIS)

    Wang, Ting; Liu, Wen; Xu, Nan; Ni, Jinren

    2013-01-01

    Highlights: ► Satisfactory reuse of TNTs due to easy regeneration of tubular structures. ► TNTs regeneration using only 2% of NaOH needed for virgin TNTs preparation. ► Excellent regeneration attributed to steady TNTs skeleton and complex form of TNTs-OCd + OH − onto adsorbed TNTs. -- Abstract: Efficient regeneration of desorbed titanate nanotubes (TNTs) was investigated with cycled Cd(II) adsorption and desorption processes. After desorption of Cd (II) from TNTs using 0.1 M HNO 3 , regeneration could be simply achieved with only 0.2 M NaOH at ambient temperature, i.e. 2% of the NaOH needed for virgin TNTs preparation at 130 °C. The regenerated TNTs displayed similar adsorption capacity of Cd(II) even after six recycles, while significant reduction could be detected for desorbed TNTs without regeneration. The virgin TNTs, absorbed TNTs, desorbed TNTs and regenerated TNTs were systematically characterized. As results, the ion-exchange mechanism with Na + in TNTs was convinced with obvious change of -TiO(ONa) 2 by FTIR spectroscopy. The easy recovery of the damaged tubular structures proved by TEM and XRD was ascribed to asymmetric distribution of H + and Na + on the surface side and interlayer region of TNTs. More importantly, the cost-effective regeneration was found possibly related to complex form of TNTs-OCd + OH − onto the adsorbed TNTs, which was identified with help of X-ray photoelectron spectroscopy, and further indicated due to high relevance to an unexpected mole ratio of 1:1 between exchanged Na + and absorbed Cd(II)

  5. Synthesis, structural characterization, Hirshfeld surface analysis and spectroscopic studies of cadmium (II) chloride complex with 4-hydroxy-1-methylpiperidine

    Energy Technology Data Exchange (ETDEWEB)

    Soudani, S. [Université de Carthage, Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna (Tunisia); Ferretti, V. [Department of Chemical and Pharmaceutical Sciences and Center for Structural Diffractometry, via Fossato di Mortara 17, I-44121 Ferrara (Italy); Jelsch, C. [CRM2, CNRS, Institut Jean Barriol, Université de Lorraine, Vandoeuvre les Nancy CEDEX (France); Lefebvre, F. [Laboratoire de Chimie Organométallique de Surface (LCOMS), Ecole Supérieure de Chimie Physique Electronique, 69626 Villeurbanne Cedex (France); Nasr, C. Ben, E-mail: cherif_bennasr@yahoo.fr [Université de Carthage, Laboratoire de Chimie des Matériaux, Faculté des Sciences de Bizerte, 7021 Zarzouna (Tunisia)

    2016-05-15

    The chemical preparation, crystal structure, Hirshfeld surface analysis and spectroscopic characterization of the novel cadmium (II) 4-hydroxy-1-methylpiperidine complex, Cd{sub 4}Cl{sub 10}(C{sub 6}H{sub 14}NO){sub 2}·2H{sub 2}O, have been reported. The atomic arrangement can be described as built up by an anionic framework, formed by edge sharing CdCl{sub 6} and CdCl{sub 5}O octahedral linear chains spreading along the a-axis. These chains are interconnected by water molecules via O–H⋯Cl and O–H⋯O hydrogen bonds to form layers parallel to (011) plane. The organic cations are inserted between layers through C–H⋯Cl hydrogen bonds. Investigation of intermolecular interactions and crystal packing via Hirshfeld surface analysis reveals that the H{sub C}⋯Cl and H{sub C}⋯H{sub C} intermolecular interactions are the most abundant contacts of the organic cation in the crystal packing. The statistical analysis of crystal contacts reveals the driving forces in the packing formation. The {sup 13}C and {sup 15}N CP-MAS NMR spectra are in agreement with the X-ray structure. The vibrational absorption bands were identified by infrared spectroscopy. DFT calculations allowed the attribution of the NMR peaks and of the IR bands.

  6. XAS study of mercury(II) ions trapped in mercaptan-functionalized mesostructured silicate with a wormhole framework structure.

    Science.gov (United States)

    Chen, Chia-Chen; McKimmy, Emily J; Pinnavaia, Thomas J; Hayes, Kim F

    2004-09-15

    Directly assembled wormhole mesostructures with high level functionalized mercaptan (MP-HMS) have been shown to be effective mercury(II) (Hg2+) trapping agents. Sorption of Hg2+ onto MP-HMS was investigated using X-ray absorption spectroscopy (XAS) to identify the structural coordination of the adsorbed Hg. Samples with different fractions of mercaptan functionalized groups (i.e., x = 0.1 and 0.5) with various Hg/S molar ratios ranging from 0.05 to 1.4 were investigated. XAS analysis indicates that adsorbed Hg first coordination shell is best fitted with an Hg-O path and an Hg-S path. The Hg-S atomic distance (R(Hg-S)) remained relatively constant while the Hg-S coordination numbers (CN) decreased as Hg/S loading increased. For the Hg-O path, both the CN and the R(Hg-O) increased with increasing Hg loading. XAS results suggest that at low Hg loadings, adsorbed Hg2+ forms mostly monodentate sulfur complexes (-S-Hg-OH) with the sulfur functional groups on the MP-HMS surfaces. At high Hg loadings, the Hg coordination environment is consistent with the formation of a double-layer structure of Hg attached to sulfur binding sites (-S-Hg-O-Hg-OH).

  7. Structural and chemical disorder in semiconductors under pressure: Evidence in II-VI’s, role of photoactive defects, material predictions

    Science.gov (United States)

    Weinstein, Bernard A.; Lindberg, George P.; Gross, Nelson

    2017-05-01

    Hydrostatic pressure can sometimes generate structural and chemical disorder within crystals. We review pressure-Raman experiments on ZnSe, ZnTe, and CdSe showing evidence for these phenomena. In ZnSe and ZnTe Raman spectra recorded with low laser flux show only pre-transition structural disorder on approaching the lowest pressure transition, as is typical for first-order phase changes. Spectra recorded with higher laser flux (sub-band-gap) observe precipitation of anion nanocrystals. This behavior is absent in CdSe. A model is developed that considers the role of crystal defects. The defects promote plastic deformation assisted by photoexcitation of Jahn-Teller distortions. Nanocrystals can precipitate on dislocations in deformed regions under energetically favorable conditions. Model calculations based on theories for precipitation in metals account for the influence of pressure on the nanocrystal formation in ZnSe and ZnTe, and explain its absence in CdSe. Material maps are constructed to predict the tendencies for similar precipitation in III-V, II-VI, I-VII, and chalcopyrite crystals.

  8. Stokes shift and fine-structure splitting in CdSe/CdTe invert type-II ...

    Indian Academy of Sciences (India)

    Using the atomistic tight-binding (TB) theory and configuration interaction (CI) description, it is showed that the Stokes shift and fine-structure splitting (FSS) in semiconductor core/shell nanocrystals are predominantly affected by the shell thickness and band profiles. CdSe/CdTe invert type-II and CdTe/CdSe type-II core/shell ...

  9. Structure, dynamics, and energetics of the primary photochemistry of photosystem II of oxygenic photosynthesis.

    Science.gov (United States)

    Diner, Bruce A; Rappaport, Fabrice

    2002-01-01

    Recent progress in two-dimensional and three-dimensional electron and X-ray crystallography of Photosystem II (PSII) core complexes has led to major advances in the structural definition of this integral membrane protein complex. Despite the overall structural and kinetic similarity of the PSII reaction centers to their purple non-sulfur photosynthetic bacterial homologues, the different cofactors and subtle differences in their spatial arrangement result in significant differences in the energetics and mechanism of primary charge separation. In this review we discuss some of the recent spectroscopic, structural, and mutagenic work on the primary and secondary electron transfer reactions in PSII, stressing what is experimentally novel, what new insights have appeared, and where questions of interpretation remain.

  10. Structural requirements for the interaction between class II MHC molecules and peptide antigens

    DEFF Research Database (Denmark)

    Sette, A; Buus, S; Appella, E

    1990-01-01

    IA(d) and IE(d) molecules and their peptide ligands, we found that some structural characteristics apply to both antigen-MHC interactions. In particular, we found: 1) each MHC molecule is capable of binding many unrelated peptides through the same peptide-binding site; 2) despite this permissiveness......Previous work from our and other laboratories indicates that T cells recognize a complex between the MHC restriction element and peptide antigen fragments. This paper reviews the structural characteristics of the formation of such a complex. By analyzing in detail the interactions between purified...... of binding, it is possible to define certain structural features of peptides that are associated with the capacity to bind to a particular MHC specificity (IA(d) or IE(d)); 3) IA(d) and IE(d) molecules recognize different and independent structures on the antigen molecule; 4) only about 10% of the single...

  11. Research of composition and structure of complex Cd(II tetrafluoroborates with phenylenediamines

    Directory of Open Access Journals (Sweden)

    M.V. Shestakova

    2016-05-01

    Full Text Available Borofluoric acid and its various products, for example complex metals tetrafluoroborates, become widely used in electrochemical processes at refinement of metals, when receiving soldering fluxes. An interesting feature of tetrafluoroborate complexes of metals with organic ligands is that in these compounds the BF4- group has various nature of bond. Aim: The aim of this work is to confirm the established earlier dependence between basicity of organic ligand and structure of the coordination sphere of tetrafluoroborate complex. Materials and Methods: By preparative way the complex tetrafluoroborates Cd(II with isomeric o-, m-, p-phenylenediamine (PD are synthesized. The composition and the structure of the synthesized complex compounds are defined by series of physical and chemical methods of research. According to results of elemental, titrimetric and nuclear-absorbing analyses and without dependency on way of synthesis for m- and p-isomers the [Cd(PD2](BF42 bindings are implemented. In case of OPD use at synthesis without solvent the [Cd(OPD2](BF42 complex has been received. Results: Measurements results of solutions molar conductivity of bonds in dimethyl formamide demonstrate that complexes are the three-ionic electrolytes of the general structure of [Cd(PD4](BF42, and in case of OPD use – the [Cd(OPD2](BF42. Coordination centers of organic ligands and outer-sphere nature of tetrafluoroborate ion bond are defined by spectroscopy IR. Influence of provision of amino groups in diamine molecule on composition and structure of complexes is noted. Conclusions: The established structure of the coordination sphere of the Cd(II tetrafluoroborate complexes with isomeric phenylenediamines allows to draw conclusion about their tetrahedral configuration as such structure of coordination node is characteristic for this metal as complexing agent with 4 as coordination number.

  12. Structural Basis of the Heterodimer Formation between Cell Shape-Determining Proteins Csd1 and Csd2 from Helicobacter pylori.

    Directory of Open Access Journals (Sweden)

    Doo Ri An

    Full Text Available Colonization of the human gastric mucosa by Helicobacter pylori requires its high motility, which depends on the helical cell shape. In H. pylori, several genes (csd1, csd2, csd3/hdpA, ccmA, csd4, csd5, and csd6 play key roles in determining the cell shape by alteration of cross-linking or by trimming of peptidoglycan stem peptides. H. pylori Csd1, Csd2, and Csd3/HdpA are M23B metallopeptidase family members and may act as d,d-endopeptidases to cleave the d-Ala4-mDAP3 peptide bond of cross-linked dimer muropeptides. Csd3 functions also as the d,d-carboxypeptidase to cleave the d-Ala4-d-Ala5 bond of the muramyl pentapeptide. To provide a basis for understanding molecular functions of Csd1 and Csd2, we have carried out their structural characterizations. We have discovered that (i Csd2 exists in monomer-dimer equilibrium and (ii Csd1 and Csd2 form a heterodimer. We have determined crystal structures of the Csd2121-308 homodimer and the heterodimer between Csd1125-312 and Csd2121-308. Overall structures of Csd1125-312 and Csd2121-308 monomers are similar to each other, consisting of a helical domain and a LytM domain. The helical domains of both Csd1 and Csd2 play a key role in the formation of homodimers or heterodimers. The Csd1 LytM domain contains a catalytic site with a Zn2+ ion, which is coordinated by three conserved ligands and two water molecules, whereas the Csd2 LytM domain has incomplete metal ligands and no metal ion is bound. Structural knowledge of these proteins sheds light on the events that regulate the cell wall in H. pylori.

  13. Diversity, mobility, and structural and functional evolution of group II introns carrying an unusual 3' extension

    Directory of Open Access Journals (Sweden)

    Tourasse Nicolas J

    2011-12-01

    Full Text Available Abstract Background Group II introns are widespread genetic elements endowed with a dual functionality. They are catalytic RNAs (ribozymes that are able of self-splicing and they are also mobile retroelements that can invade genomic DNA. The group II intron RNA secondary structure is typically made up of six domains. However, a number of unusual group II introns carrying a unique extension of 53-56 nucleotides at the 3' end have been identified previously in bacteria of the Bacillus cereus group. Methods In the present study, we conducted combined sequence comparisons and phylogenetic analyses of introns, host gene, plasmid and chromosome of host strains in order to gain insights into mobility, dispersal, and evolution of the unusual introns and their extension. We also performed in vitro mutational and kinetic experiments to investigate possible functional features related to the extension. Results We report the identification of novel copies of group II introns carrying a 3' extension including the first two copies in bacteria not belonging to the B. cereus group, Bacillus pseudofirmus OF4 and Bacillus sp. 2_A_57_CT2, an uncharacterized species phylogenetically close to B. firmus. Interestingly, the B. pseudofirmus intron has a longer extension of 70 bases. From sequence comparisons and phylogenetic analyses, several possible separate events of mobility involving the atypical introns could be identified, including both retrohoming and retrotransposition events. In addition, identical extensions were found in introns that otherwise exhibit little sequence conservation in the rest of their structures, with the exception of the conserved and catalytically critical domains V and VI, suggesting either separate acquisition of the extra segment by different group II introns or a strong selection pressure acting on the extension. Furthermore, we show by in vitro splicing experiments that the 3' extension affects the splicing properties differently in

  14. Luminescent pincer platinum(II) complexes with emission quantum yields up to almost unity: photophysics, photoreductive C-C bond formation, and materials applications.

    Science.gov (United States)

    Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; To, Wai-Pong; Kwong, Wai-Lun; Low, Kam-Hung; Kwok, Chi-Chung; Ma, Chensheng; Che, Chi-Ming

    2015-02-09

    Luminescent pincer-type Pt(II)  complexes supported by C-deprotonated π-extended tridentate RC^N^NR' ligands and pentafluorophenylacetylide ligands show emission quantum yields up to almost unity. Femtosecond time-resolved fluorescence measurements and time-dependent DFT calculations together reveal the dependence of excited-state structural distortions of [Pt(RC^N^NR')(CC-C6 F5 )] on the positional isomers of the tridentate ligand. Pt complexes [Pt(R-C^N^NR')(CC-Ar)] are efficient photocatalysts for visible-light-induced reductive CC bond formation. The [Pt(R-C^N^NR')(CC-C6 F5 )] complexes perform strongly as phosphorescent dopants for green- and red-emitting organic light-emitting diodes (OLEDs) with external quantum efficiency values over 22.1 %. These complexes are also applied in two-photon cellular imaging when incorporated into mesoporous silica nanoparticles (MSNs). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Alpha, beta-unsaturated lactones 2-furanone and 2-pyrone induce cellular DNA damage, formation of topoisomerase I- and II-DNA complexes and cancer cell death.

    Science.gov (United States)

    Calderón-Montaño, José Manuel; Burgos-Morón, Estefanía; Orta, Manuel Luis; Pastor, Nuria; Austin, Caroline A; Mateos, Santiago; López-Lázaro, Miguel

    2013-09-12

    The alpha, beta-unsaturated lactones 2-furanone and 2-pyrone are part of the chemical structure of a variety of naturally occurring compounds (e.g., cardenolides, bufadienolides, acetogenins, coumarins, and food-flavoring furanones), some of which have shown anticancer activity and/or DNA damaging effects. Here we report that 2-furanone and 2-pyrone induce cellular DNA damage (assessed by the comet assay and the gamma-H2AX focus assay) and the formation of topoisomerase I- and topoisomerase II-DNA complexes in cells (visualized and quantified in situ by the TARDIS assay). Cells mutated in BRCA2 (deficient in homologous recombination repair) were significantly hypersensitive to the cytotoxic activity of 2-pyrone, therefore suggesting that BRCA2 plays an important role in the repair of DNA damage induced by this lactone. Both lactones were cytotoxic in A549 lung cancer cells at lower concentrations than in MRC5 non-malignant lung fibroblasts. The possible involvement of 2-furanone and 2-pyrone in the anticancer and DNA-damaging activities of compounds containing these lactones is discussed. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  16. Complex Formation in a Liquid-Liquid Extraction System Containing Co(II), 4-(2-Thiazolylazo)resorcinol and Monotetrazolium Salt.

    Science.gov (United States)

    Divarova, Vidka; Stojnova, Kirila; Racheva, Petya; Lekova, Vanya

    2016-01-01

    The ion-associated complex formed between anionic chelate of Co(II)-4-(2-Thiazolylazo)resorcinol (TAR) with the monotetrazolium cation of 2-(4-Iodophenyl)-3-(4-nitrophenyl)-5-phenyl-2H-tetrazolium chloride (INT) in the liquid-liquid extraction system Co(II)-TAR-INT-H(2)O-CHCl(3) was studied by the spectrophotometric method. The optimum extraction conditions of Co(II) were found. The extraction equilibria were studied. The equilibrium constants, the recovery factor and some analytical characteristics were calculated. The validity of Beer's law was checked. The molar ratio of the components in the ternary ion-associated complex Co(II)-TAR-INT was determined. The general formula of the complex was suggested. The effect of various foreign ions and reagents on the process of complex formation in the liquid-liquid extraction system was studied.

  17. Selforganized Structure Formation in Organized Microstructuring by Laser-Jet Etching

    Science.gov (United States)

    Rabbow, T. J.; Plath, P. J.; Mora, A.; Haase, M.

    Laser-jet induced wet etching of stainless steel in 5M H3PO4 has been investigated. By this method, it is possible to cut and microstructure metals and alloys that form passive layers in strong etchants. Due to the laser heating of the metal and the adjacent layers of the etchant, the passive layer is removed and an active dissolution of the base metal together with the formation of hydrogen is observed. The reactions are limited by the transport of fresh acid and the removal of dissolved metal. A jet of etchant reduces the transport limitations. For definite ranges of the laser power, the feed velocity and the etchant jet velocity, a regime of periodic structure formation of the kerf, often called ripples, has been found. The ripple length depends on all three parameters. The ripple formation can be brought into correlation with a periodic change of the intensity of the reflected light as well as oscillations of the potential workpiece. It could be shown that the periodic structure formation is connected to a spreading of an etching front from the laser activated area, that temporarily moves ahead to the laser. This leads to modulations of the interface for the laser absorption, which results, for example, in oscillations of the intensity of the reflected light. This means the laser induced etching reaction attracts a feedback based on the conditions of absorption for the laser. For those parameters of feed velocity, laser power and etchant jet velocity, without ripple formation the laser induced etching front is of a constant distance to the laser which results in steady conditions at the interface for the absorption of the laser.

  18. Role of structure imperfection in the formation of the magnetotransport properties of rare-earth manganites with a perovskite structure

    Science.gov (United States)

    Pashchenko, A. V.; Pashchenko, V. P.; Prokopenko, V. K.; Turchenko, V. A.; Revenko, Yu. F.; Mazur, A. S.; Sycheva, V. Ya.; Liedienov, N. A.; Pitsyuga, V. G.; Levchenko, G. G.

    2017-01-01

    The structure, the structure imperfection, and the magnetoresistance, magnetotransport, and microstructure properties of rare-earth perovskite La0.3Ln0.3Sr0.3Mn1.1O3-δ manganites are studied by X-ray diffraction, thermogravimetry, electrical resistivity measurement, magnetic, 55Mn NMR, magnetoresistance measurement, and scanning electron microscopy. It is found that the structure imperfection increases, and the symmetry of a rhombohedrally distorted R3̅ c perovskite structure changes into its pseudocubic type during isovalent substitution for Ln = La3+, Pr3+, Nd3+, Sm3+, or Eu3+ when the ionic radius of an A cation decreases. Defect molar formulas are determined for a real perovskite structure, which contains anion and cation vacancies. The decrease in the temperatures of the metal-semiconductor ( T ms) and ferromagnet-paramagnet ( T C) phase transitions and the increase in electrical resistivity ρ and activation energy E a with increasing serial number of Ln are caused by an increase in the concentration of vacancy point defects, which weaken the double exchange 3 d 4(Mn3+)-2 p 6(O2-)-3 d 3(Mn4+)- V ( a)-3 d 4(Mn3+). The crystal structure of the compositions with Ln = La contains nanostructured planar clusters, which induce an anomalous magnetic hysteresis at T = 77 K. Broad and asymmetric 55Mn NMR spectra support the high-frequency electronic double exchange Mn3+(3 d 4) ↔ O2-(2 p 6) ↔ Mn4+(3 d 3) and indicate a heterogeneous surrounding of manganese by other ions and vacancies. A correlation is revealed between the tunneling magnetoresistance effect and the crystallite size. A composition-structure imperfection-property experimental phase diagram is plotted. This diagram supports the conclusion about a strong influence of structure imperfection on the formation of the magnetic, magnetotransport, and magnetoresistance properties of rare-earth perovskite manganites.

  19. Mn(HPO3): A new manganese (II) phosphite with a condensed structure

    International Nuclear Information System (INIS)

    Chung, U-Chan; Mesa, Jose L.; Pizarro, Jose L.; Jubera, Veronique; Lezama, Luis; Arriortua, Maria I.; Rojo, Teofilo

    2005-01-01

    A new manganese (II) phosphite with the formula Mn(HPO 3 ) has been synthesised under mild hydrothermal conditions and autogenous pressure. Large pink coloured single crystals were obtained, allowing the resolution of the structure by x-ray diffraction. Mn(HPO 3 ) crystallises in the P2 1 /c monoclinic space group with a=8.036(3) A, b=8.240(3) A, c=10.410(3) A, β=124.73(3) deg. and Z=8. The structure consists of a three-dimensional, compact framework of edge sharing MnO 6 octahedra linked to phosphite groups via oxygens. The presence of the phosphite anion has been confirmed by IR spectroscopy. Mn(HPO 3 ) presents a high thermal stability limit of 580 deg. C, before rapid transformation to Mn 2 P 2 O 7 occurs. Photoluminescence and diffuse reflectance spectroscopy studies show the presence of high spin Mn(II) in significantly distorted octahedral coordination with Dq and Racah parameters of Dq=820, B=910 and C=3135 cm -1 . The ESR spectra, performed at different temperatures, are isotropic with a g-value of 2.00(1). Magnetic measurements indicate global antiferromagnetic interactions with a ferromagnetic transition at 15 K, attributed to a canting of the antiferromagneticaly aligned spins. - Graphical abstract: Crystal structure of Mn(HPO 3 )

  20. X-ray sources in regions of star formation. II. The pre-main-sequence G star HDE 283572

    International Nuclear Information System (INIS)

    Walter, F.M.; Brown, A.; Linsky, J.L.; Rydgren, A.E.; Vrba, F.; Joint Institute for Laboratory Astrophysics, Boulder, CO; Computer Sciences Corp., El Segundo, CA; Naval Observatory, Flagstaff, AZ)

    1987-01-01

    This paper reports the detection of HDE 283572, a ninth-magnitude G star 8 arcmin south of RY Tau, as a bright X-ray source. The observations reveal this object to be a fairly massive (about 2 solar masses) pre-main-sequence star associated with the Taurus-Auriga star formation complex. It exhibits few of the characteristics of the classical T Tauri stars and is a good example of a naked T Tauri star. The star is a mid-G subgiant, of about three solar radii and rotates with a period of 1.5 d. The coronal and chromospheric surface fluxes are similar to those of the most active late type stars (excluding T Tauri stars). The X-ray and UV lines most likely arise in different atmospheric structures. Radiative losses are some 1000 times the quiet solar value and compare favorably with those of T Tauri stars. 49 references