WorldWideScience

Sample records for stacking interactions compound

  1. Stray field interaction of stacked amorphous tapes

    International Nuclear Information System (INIS)

    Guenther, Wulf; Flohrer, Sybille

    2008-01-01

    In this study, magnetic cores made of amorphous rectangular tape layers are investigated. The quality factor Q of the tape material decreases rapidly, however, when stacking at least two tape layers. The hysteresis loop becomes non-linear, and the coercivity increases. These effects are principally independent of the frequency and occur whether tape layers are insulated or not. The Kerr-microscopy was used to monitor local hysteresis loops by varying the distance of two tape layers. The magnetization direction of each magnetic domain is influenced by the anisotropy axis, the external magnetic field and the stray field of magnetic domains of the neighboring tape layers. We found that crossed easy axes (as the extreme case for inclined axes) of congruent domains retain the remagnetization and induce a plateau of the local loop. Summarizing local loops leads to the observed increase of coercivity and non-linearity of the inductively measured loop. A high Q-factor can be preserved if the easy axes of stacked tape layers are identical within the interaction range in the order of mm

  2. Edge-edge interactions in stacked graphene nanoplatelets

    Energy Technology Data Exchange (ETDEWEB)

    Cruz Silva, Eduardo [ORNL; Terrones Maldonado, Humberto [ORNL; Terrones Maldonado, Mauricio [ORNL; Jia, Xiaoting [Massachusetts Institute of Technology (MIT); Sumpter, Bobby G [ORNL; Dresselhaus, M [Massachusetts Institute of Technology (MIT); Meunier, V. [Rensselaer Polytechnic Institute (RPI)

    2013-01-01

    High-resolution transmission electron microscopy (HRTEM) studies show the dynamics of small graphene platelets on larger graphene layers. The platelets move nearly freely to eventually lock in at well-defined positions close to the edges of the larger underlying graphene sheet. While such movement is driven by a shallow potential energy surface described by an interplane interaction, the lock-in position occurs by via edge-edge interactions of the platelet and the graphene surface located underneath. Here we quantitatively study this behavior using van der Waals density functional calculations. Local interactions at the open edges are found to dictate stacking configurations that are different from Bernal (AB) stacking. These stacking configurations are known to be otherwise absent in edge-free two-dimensional (2D) graphene. The results explain the experimentally observed platelet dynamics and provide a detailed account of the new electronic properties of these combined systems.

  3. RPLsh: An Interactive Shell for Stack-based Numerical Computation

    Science.gov (United States)

    Rauch, Kevin P.

    RPL shell or RPLsh, is an interactive numerical shell designed to combine the convenience of a hand-held calculator with the computational power and advanced numerical functionality of a workstation. The user interface is modelled after stack-based scientific calculators such as those made by Hewlett-Packard RPL is the name of the Forth-like programming language used in the HP 48 series), but includes many features not found in hand-held devices, such as a multi-threaded kernel with job control, integrated extended precision arithmetic, a large library of special functions, and a dynamic, resizable window display. As a native C/C++ application, it is over 1000 times faster than HP 48 emulators (e.g. Emu48 ) in simple benchmarks; for extended precision numerical analysis, its performance can exceed that of Mathematica by similar amounts. Current development focuses on interactive user functionality, with comprehensive programming and debugging support to follow.

  4. Ab initio study of antiphase boundaries and stacking faults in L12 and DO22 compounds

    DEFF Research Database (Denmark)

    Rosengaard, N. M.; Skriver, Hans Lomholt

    1994-01-01

    We have performed ab initio calculations of the energies of antiphase boundaries as well as complex and superlattice intrinsic stacking faults in nine intermetallic compounds observed in the face-centered-cubic L1(2) and DO22 structures. The calculations were performed by means of a Green...

  5. Interactive display of stacks of images in scientific presentations with PowerPoint.

    Science.gov (United States)

    Gniadek, Thomas J; Desjardins, Benoit

    2004-09-01

    We describe a new tool to facilitate the creation and interactive display of stacks of images for scientific and educational presentations using Microsoft PowerPoint. This new tool allows interactive scrolling through stacks of images. After a presentation is created, all elements required to display the stacks of images are embedded in the PowerPoint file. These presentations can be run on any computer (Macintosh or IBM-compatible versions) using PowerPoint with no other preinstalled software, making this tool useful for scientific and educational presentations at national and international meetings.

  6. Influence of supramolecular structures in crystals on parallel stacking interactions between pyridine molecules.

    Science.gov (United States)

    Janjić, Goran V; Ninković, Dragan B; Zarić, Snezana D

    2013-08-01

    Parallel stacking interactions between pyridines in crystal structures and the influence of hydrogen bonding and supramolecular structures in crystals on the geometries of interactions were studied by analyzing data from the Cambridge Structural Database (CSD). In the CSD 66 contacts of pyridines have a parallel orientation of molecules and most of these pyridines simultaneously form hydrogen bonds (44 contacts). The geometries of stacked pyridines observed in crystal structures were compared with the geometries obtained by calculations and explained by supramolecular structures in crystals. The results show that the mean perpendicular distance (R) between pyridine rings with (3.48 Å) and without hydrogen bonds (3.62 Å) is larger than that calculated, because of the influence of supramolecular structures in crystals. The pyridines with hydrogen bonds show a pronounced preference for offsets of 1.25-1.75 Å, close to the position of the calculated minimum (1.80 Å). However, stacking interactions of pyridines without hydrogen bonds do not adopt values at or close to that of the calculated offset. This is because stacking interactions of pyridines without hydrogen bonds are less strong, and they are more susceptible to the influence of supramolecular structures in crystals. These results show that hydrogen bonding and supramolecular structures have an important influence on the geometries of stacked pyridines in crystals.

  7. Electrostatic double-layer interaction between stacked charged bilayers

    Science.gov (United States)

    Hishida, Mafumi; Nomura, Yoko; Akiyama, Ryo; Yamamura, Yasuhisa; Saito, Kazuya

    2017-10-01

    The inapplicability of the DLVO theory to multilayered anionic bilayers is found in terms of the co-ion-valence dependence of the lamellar repeat distance. Most of the added salt is expelled from the interlamellar space to the bulk due to the Gibbs-Donnan effect on multiple bilayers with the bulk. The electrostatic double-layer interaction is well expressed by the formula recently proposed by Trefalt. The osmotic pressure due to the expelled ions, rather than the van der Waals interaction, is the main origin of the attractive force between the bilayers.

  8. Restricting rotation of triple bond through π-stacking interactions in ...

    Indian Academy of Sciences (India)

    SANKARARAMAN

    Photophysical properties - well understood. -monomer and excimer emission – well characterized. Applications – sensors – molecular photonics devices. Static excimer – preorganization in the ground state – π-π stacking in the GS. Dynamic excimer – interaction in the excited state after diffusional encounter. 3.4 - 3.5 A ...

  9. Stacking of purines in water: the role of dipolar interactions in caffeine.

    Science.gov (United States)

    Tavagnacco, L; Di Fonzo, S; D'Amico, F; Masciovecchio, C; Brady, J W; Cesàro, A

    2016-05-11

    During the last few decades it has been ascertained that base stacking is one of the major contributions stabilizing nucleic acid conformations. However, the understanding of the nature of the interactions involved in the stacking process remains under debate and it is a subject of theoretical and experimental studies. Structural similarity between purine bases (guanine and adenine) in DNA and the caffeine molecule makes caffeine an excellent model for the purine bases. The present study clearly shows that dipolar interactions play a fundamental role in determining stacking of purine molecules in solution. In order to reach this achievement, polarized ultraviolet Raman resonant scattering experiments have been carried out on caffeine aqueous solutions as a function of concentration and temperature. The investigation pointed out at the aggregation and solvation properties, particularly at elevated temperatures. Kubo-Anderson theory was used as a framework to investigate the non-coincidence effect (NCE) occurring in the totally symmetric breathing modes of the purine rings, and in the bending modes of the methyl groups of caffeine. The NCE concentration dependence shows that caffeine aggregation at 80 °C occurs by planar stacking of the hydrophobic faces. The data clearly indicate that dipolar interactions determine the reorientational motion of the molecules in solution and are the driving force for the stacking of caffeine. In parallel, the observed dephasing times imply a change in caffeine interactions as a function of temperature and concentration. A decrease, at low water content, of the dephasing time for the ring breathing vibration mode indicates that self-association alters the solvation structure that is detectable at low concentration. These results are in agreement with simulation predictions and serve as an important validation of the models used in those calculations.

  10. Processing of CdTe thin films by the stacked elemental layer method. Compound formation and physical properties

    Energy Technology Data Exchange (ETDEWEB)

    Cruz, L.R. [Departamento de Engenharia, Macanica e de Materiais, Instituto Militar de Engenharia, Praca General Tiburcio, 80, Urca, 22290-270 RJ Rio de Janeiro (Brazil); Matson, R. [National Renewable Energy Laboratory, 1617 Cole Boulevard, 80401 Golden, CO (United States); De Avillez, R.R. [Pontificia Universidade Catolica, Rua Marques de Sao Vicente, 225, Gavea, 22543-900 RJ Rio de Janeiro (Brazil)

    2001-01-01

    Cadmium telluride (CdTe) thin films have been deposited using the stacked elemental layer (SEL) technique. This process consists of sequentially depositing tellurium and cadmium layers and then annealing the stacks in order to synthesize the compound. The films were characterized using X-ray diffraction (XRD), optical transmittance and reflectance, scanning electron microscopy (SEM) and atomic force microscopy (AFM). The evolution of the thin film reaction and compound formation were studied using X-ray data. The results show that the growth is diffusion-controlled and the activation energy is (82{+-}2) kJ/mol. The effect of the conventional post-synthesis CdCl{sub 2} heat treatment on the physical properties of the films produced is also reported.

  11. Stack zooming for multifocus interaction in skewed-aspect visual spaces.

    Science.gov (United States)

    Javed, Waqas; Elmqvist, Niklas

    2013-08-01

    Many 2D visual spaces have a virtually one-dimensional nature with very high aspect ratio between the dimensions: examples include time-series data, multimedia data such as sound or video, text documents, and bipartite graphs. Common among these is that the space can become very large, e.g., temperature measurements could span a long time period, surveillance video could cover entire days or weeks, and documents can have thousands of pages. Many analysis tasks for such spaces require several foci while retaining context and distance awareness. In this extended version of our IEEE PacificVis 2010 paper, we introduce a method for supporting this kind of multifocus interaction that we call stack zooming. The approach is based on building hierarchies of 1D strips stacked on top of each other, where each subsequent stack represents a higher zoom level, and sibling strips represent branches in the exploration. Correlation graphics show the relation between stacks and strips of different levels, providing context and distance awareness for the foci. The zoom hierarchies can also be used as graphical histories and for communicating insights to stakeholders and can be further extended with annotation and integrated statistics.

  12. Parsing of the free energy of aromatic-aromatic stacking interactions in solution

    Energy Technology Data Exchange (ETDEWEB)

    Kostjukov, Viktor V.; Khomytova, Nina M. [Department of Physics, Sevastopol National Technical University, Sevastopol 99053, Crimea (Ukraine); Hernandez Santiago, Adrian A.; Tavera, Anna-Maria Cervantes; Alvarado, Julieta Salas [Faculty of Chemical Sciences, Autonomous University of Puebla, Puebla (Mexico); Evstigneev, Maxim P., E-mail: max_evstigneev@mail.ru [Department of Physics, Sevastopol National Technical University, Sevastopol 99053, Crimea (Ukraine)

    2011-10-15

    Graphical abstract: Highlights: > A protocol for decomposition of the free energy of aromatic stacking is developed. > The factors stabilizing/destabilizing stacking of aromatic molecules are defined. > Hydrophobic contribution is found to be dominant. - Abstract: We report an analysis of the energetics of aromatic-aromatic stacking interactions for 39 non-covalent reactions of self- and hetero-association of 12 aromatic molecules with different structures and charge states. A protocol for computation of the contributions to the total energy from various energetic terms has been developed and the results are consistent with experiment in 92% of all the systems studied. It is found that the contributions from hydrogen bonds and entropic factors are always unfavorable, whereas contributions from van-der-Waals, electrostatic and/or hydrophobic effects may lead to stabilizing or destabilizing factors depending on the system studied. The analysis carried out in this work provides an answer to the questions 'What forces stabilize/destabilize the stacking of aromatic molecules in aqueous-salt solution and what are their relative importance?'

  13. Parsing of the free energy of aromatic-aromatic stacking interactions in solution

    International Nuclear Information System (INIS)

    Kostjukov, Viktor V.; Khomytova, Nina M.; Hernandez Santiago, Adrian A.; Tavera, Anna-Maria Cervantes; Alvarado, Julieta Salas; Evstigneev, Maxim P.

    2011-01-01

    Graphical abstract: Highlights: → A protocol for decomposition of the free energy of aromatic stacking is developed. → The factors stabilizing/destabilizing stacking of aromatic molecules are defined. → Hydrophobic contribution is found to be dominant. - Abstract: We report an analysis of the energetics of aromatic-aromatic stacking interactions for 39 non-covalent reactions of self- and hetero-association of 12 aromatic molecules with different structures and charge states. A protocol for computation of the contributions to the total energy from various energetic terms has been developed and the results are consistent with experiment in 92% of all the systems studied. It is found that the contributions from hydrogen bonds and entropic factors are always unfavorable, whereas contributions from van-der-Waals, electrostatic and/or hydrophobic effects may lead to stabilizing or destabilizing factors depending on the system studied. The analysis carried out in this work provides an answer to the questions 'What forces stabilize/destabilize the stacking of aromatic molecules in aqueous-salt solution and what are their relative importance?'

  14. Occurrence and stability of lone pair–π stacking interactions between ribose and nucleobases in functional RNAs

    KAUST Repository

    Chawla, Mohit

    2017-08-18

    The specific folding pattern and function of RNA molecules lies in various weak interactions, in addition to the strong base-base pairing and stacking. One of these relatively weak interactions, characterized by the stacking of the O4′ atom of a ribose on top of the heterocycle ring of a nucleobase, has been known to occur but has largely been ignored in the description of RNA structures. We identified 2015 ribose–base stacking interactions in a high-resolution set of non-redundant RNA crystal structures. They are widespread in structured RNA molecules and are located in structural motifs other than regular stems. Over 50% of them involve an adenine, as we found ribose-adenine contacts to be recurring elements in A-minor motifs. Fewer than 50% of the interactions involve a ribose and a base of neighboring residues, while approximately 30% of them involve a ribose and a nucleobase at least four residues apart. Some of them establish inter-domain or inter-molecular contacts and often implicate functionally relevant nucleotides. In vacuo ribose-nucleobase stacking interaction energies were calculated by quantum mechanics methods. Finally, we found that lone pair–π stacking interactions also occur between ribose and aromatic amino acids in RNA–protein complexes.

  15. Transmission electron microscopy study of stacking faults and their interaction with pyramidal dislocations in deformed Mg

    International Nuclear Information System (INIS)

    Li, B.; Yan, P.F.; Sui, M.L.; Ma, E.

    2010-01-01

    We present transmission electron microscopy (TEM) observations of stacking faults (SFs) and their interactions with pyramidal dislocations, in plastically deformed polycrystalline pure magnesium. We have observed well-defined fringes as well as streaking in diffraction patterns, typical of SFs. The basal SFs are decorated by a large number of dark speckles, which are created by the interaction with pyramidal dislocations that have both and components as revealed by our contrast analysis. The SFs do not appear to result from the splitting of unit dislocations, as the SFs are relatively wide and no dislocation nodes were observed. By tilting the specimen systematically inside TEM, the SFs and the associated dislocations in Mg are found to exhibit a rich variety of features in terms of their morphology and diffraction contrast.

  16. Analysis of Three Compounds in Flos Farfarae by Capillary Electrophoresis with Large-Volume Sample Stacking

    Directory of Open Access Journals (Sweden)

    Hai-xia Yu

    2017-01-01

    Full Text Available The aim of this study was to develop a method combining an online concentration and high-efficiency capillary electrophoresis separation to analyze and detect three compounds (rutin, hyperoside, and chlorogenic acid in Flos Farfarae. In order to get good resolution and enrichment, several parameters such as the choice of running buffer, pH and concentration of the running buffer, organic modifier, temperature, and separation voltage were all investigated. The optimized conditions were obtained as follows: the buffer of 40 mM NaH2P04-40 mM Borax-30% v/v methanol (pH 9.0; the sample hydrodynamic injection of up to 4 s at 0.5 psi; 20 kV applied voltage. The diode-array detector was used, and the detection wavelength was 364 nm. Based on peak area, higher levels of selective and sensitive improvements in analysis were observed and about 14-, 26-, and 5-fold enrichment of rutin, hyperoside, and chlorogenic acid were achieved, respectively. This method was successfully applied to determine the three compounds in Flos Farfarae. The linear curve of peak response versus concentration was from 20 to 400 µg/ml, 16.5 to 330 µg/mL, and 25 to 500 µg/mL, respectively. The regression coefficients were 0.9998, 0.9999, and 0.9991, respectively.

  17. π-Stacking interactions between G-quartets and circulenes: A ...

    Indian Academy of Sciences (India)

    Abstract. Structures of planar and bowl-shaped circulenes as well as their stacks with G-quartet (G4) have been investigated through dispersion-corrected Density Functional Theory (DFT-D). The binding energies are substantial ∼10 kcal/mol with d ∼3.5 Å between the stacking rings. The calculations show that G4 binds ...

  18. Supramolecular self-assembly of a coumarine-based acylthiourea synthon directed by π-stacking interactions: Crystal structure and Hirshfeld surface analysis

    Science.gov (United States)

    Saeed, Aamer; Ashraf, Saba; Flörke, Ulrich; Delgado Espinoza, Zuly Yuliana; Erben, Mauricio F.; Pérez, Hiram

    2016-05-01

    The structure of 1-(2-oxo-2H-chromene-3-carbonyl)-3-(2-methoxy-phenyl)thiourea (1) has been determined by single-crystal X-ray crystallography. This compound crystallizes in the monoclinic space group P21/c with a = 7.455 (2) Å, b = 12.744 (3) Å, c = 16.892 (4) Å, β = 90.203 (6)° and Z = 4. Both, the coumarin and the phenyl rings are nearly coplanar with the central 1-acylthiourea group, with the Cdbnd O and Cdbnd S bonds adopting an opposite orientation. Intramolecular N-H···O, C-H···O, and C-H···S hydrogen bonds are favored by the planar conformation. The molecules are packed through C-H···O, C-H···S and C-H···C hydrogen bonds, and two π···π interactions with offset arrangement. Inter-centroid distance of 3.490 (2) Å, slip angles of 18.5 and 20.9°, and vertical displacements of 1.10 and 1.24 Å are the stacking parameters corresponding to the stronger π···π interaction. Hirshfeld surface analysis was performed for visualizing, exploring and quantifying intermolecular interactions in the crystal lattice of compound 1, and compared with two closely related species. Shape index and Curvedness surfaces indicated π-stacking with different features in opposed sides of the molecule. Fingerprint plot showed C···C contacts with similar contributions to the crystal packing in comparison with those associated to hydrogen bonds. Enrichment ratios for H···H, O···H, S···H and C···C contacts revealed a high propensity to form in the crystal.

  19. Magnetic interactions in the R-Mn12 compounds

    International Nuclear Information System (INIS)

    Deportes, J.; Givord, D.; Lemaire, R.; Nagai, H.

    1977-01-01

    Magnetic interactions in the R-Mn 12 compounds are discussed from results of magnetic measurements and neutron diffraction experiments. The antiferromagnetic structure of YMn 12 is non-collinear. In the other RMn 12 compounds, the R and Mn lattices are not magnetically coupled. The main interactions, strongly distance dependent, are of 3d type. The R-R interactions are very weak. (Auth.)

  20. Interfacial interaction and glassy dynamics in stacked thin films of poly(methyl methacrylate)

    Science.gov (United States)

    Hayashi, Tatsuhiko; Segawa, Kenta; Sadakane, Koichiro; Fukao, Koji; Yamada, Norifumi L.

    2017-05-01

    Neutron reflectivity and dielectric permittivity of alternately stacked thin films of protonated and deuterated poly(methyl methacrylate) were measured to elucidate a correlation between the time evolution of the interfacial structure and the segmental dynamics in the stacked thin polymer films during isothermal annealing above the glass transition temperature. The roughness at the interface between two thin layers increases with the annealing time, whereas the relaxation rate and strength of the α-process decrease with an increase in the annealing time. A strong correlation between the time evolution of the interfacial structure and the dynamics of the α-process during annealing could be observed using neutron reflectivity and dielectric relaxation measurements.

  1. Solute-solute interactions in intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, Debashis; Murray, Ryan; Collins, Gary S., E-mail: collins@wsu.edu [Washington State University, Department of Physics and Astronomy (United States); Zacate, Matthew O. [Northern Kentucky University, Department of Physics and Geology (United States)

    2017-11-15

    Experiments were carried out on highly ordered GdAl{sub 2} samples containing extremely dilute mole fractions of{sup 111}In/Cd probe-atom solutes (about 10{sup −11}), intrinsic antisite atoms Al{sub Gd} having mole fractions of order 0-10{sup −2}, and doped with Ag solutes at mole fractions of order 10{sup −2}. Three types of defect interactions were investigated. (1) Quadrupole interactions caused by Ag-solute atoms neighboring{sup 111}In/Cd solute probe atoms were detected using the method of perturbed angular correlation of gamma rays (PAC). Three complexes of pairs of In-probes and Ag-solutes occupying neighboring positions on Gd- and Al-sublattices were identified by comparing site fractions in Gd-poor and Gd-rich GdAl{sub 2}(Ag) samples and from the symmetry of the quadrupole interactions. Interaction enthalpies between solute-atom pairs were determined from temperature dependences of observed site fractions. Repulsive interactions were observed for close-neighbor complexes In{sub Gd}+Ag{sub Gd} and In{sub Gd}+Ag{sub Al} pairs, whereas a slightly attractive interaction was observed for In{sub Al}+Ag{sub Al}. Interaction enthalpies were all small, in the range ±0.15 eV. (2) Quadrupole interactions caused by intrinsic antisite atoms Al{sub Gd} neighboring In{sub Gd} probes were also detected and site fractions measured as a function of temperature, as in previous work on samples not doped with Ag-solutes [Temperature- and composition-driven changes in site occupation of solutes in Gd{sub 1+3x}Al{sub 2−3x}, Zacate and Collins (Phys. Rev. B69, 174202 (1))]. However, the effective binding enthalpy between In{sub Gd} probe and Al{sub Gd} antisite was found to change sign from -0.12 eV (attractive interaction) in undoped samples to + 0.24 eV (repulsive) in Ag-doped samples. This may be attributed to an attractive interaction between Al{sub Gd} antisite atoms and Ag-dopants that competes with the attractive interaction between In{sub Gd} and Al{sub Gd

  2. No Interactions of Stacked Bt Maize with the Non-target Aphid Rhopalosiphum padi and the Spider Mite Tetranychus urticae

    Directory of Open Access Journals (Sweden)

    Yinghua Shu

    2018-02-01

    Full Text Available In the agroecosystem, genetically engineered plants producing insecticidal Cry proteins from Bacillus thuringiensis (Bt interact with non-target herbivores and other elements of the food web. Stacked Bt crops expose herbivores to multiple Cry proteins simultaneously. In this study, the direct interactions between SmartStax® Bt maize producing six different Cry proteins and two herbivores with different feeding modes were investigated. Feeding on leaves of Bt maize had no effects on development time, fecundity, or longevity of the aphid Rhopalosiphum padi (Hemiptera: Aphididae, and no effects on the egg hatching time, development time, sex ratio, fecundity, and survival of the spider mite Tetranychus urticae (Acari: Tetranychidae. The results thus confirm the lack of effects on those species reported previously for some of the individual Cry proteins. In the Bt maize leaves, herbivore infestation did not result in a consistent change of Cry protein concentrations. However, occasional statistical differences between infested and non-infested leaves were observed for some Cry proteins and experimental repetitions. Overall, the study provides evidence that the Cry proteins in stacked Bt maize do not interact with two common non-target herbivores.

  3. Cation-cation interaction in neptunyl(V) compounds

    Energy Technology Data Exchange (ETDEWEB)

    Krot, N.N. [Russian Academy of Sciences, Institute of Physical Chemistry (Russian Federation); Saeki, Masakatsu [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

    2003-03-01

    The original manuscript was prepared by Professor N.N. Krot of Institute of Physical Chemistry, Russian Academy of Sciences, in 1997. Saeki tried to translate that into Japanese and to add some new data since 1997. The contents include the whole picture of cation-cation interactions mainly in 5-valence neptunium compounds. Firstly, characteristic structures of neptunium are summarized of the cation-cation bonding in compounds. Secondly, it is mentioned how the cation-cation bonding affects physical and chemical properties of the compounds. Then, characterization-methods for the cation-cation bonding in the compounds are discussed. Finally, the cation-cation interactions in compounds of other actinide-ions are shortly reviewed. (author)

  4. π -Stacking interactions in YFP, quantum mechanics and force field evaluations in the S0 and S1 states

    Science.gov (United States)

    Merabti, Karim Elhadj; Azizi, Sihem; Ridard, Jacqueline; Lévy, Bernard; Demachy, Isabelle

    2017-08-01

    We study the π -stacking interaction between the chromophore and Tyr203 in the Yellow Fluorescent Protein (YFP) in order to (i) evaluate the contribution of the internal interaction energy of the isolated Chromophore-Tyrosine complex (Eint) to the 26 nm red shift observed from GFP to YFP, (ii) compare the effects of Eint and of the proteic environment. To that end, we perform quantum mechanical and force field (ff) calculations of the isolated complex in S0 and S1 states on a large sample of geometries, together with molecular dynamics simulations and potential of mean force analysis. The calculated absorption wavelengths are found red shifted with respect to the isolated chromophore by 12-19 nm, that represents a large part of the GFP-YFP shift. We find that the effect of the protein is determinant on the dynamics of the complex while the error that results from using a classicalff is of limited effect.

  5. Synthesis of hydrides by interaction of intermetallic compounds with ammonia

    Energy Technology Data Exchange (ETDEWEB)

    Tarasov, Boris P., E-mail: tarasov@icp.ac.ru [Institute of Problems of Chemical Physics of the Russian Academy of Sciences, Chernogolovka 142432 (Russian Federation); Fokin, Valentin N.; Fokina, Evelina E. [Institute of Problems of Chemical Physics of the Russian Academy of Sciences, Chernogolovka 142432 (Russian Federation); Yartys, Volodymyr A., E-mail: volodymyr.yartys@ife.no [Institute for Energy Technology, Kjeller NO 2027 (Norway); Department of Materials Science and Engineering, Norwegian University of Science and Technology, Trondheim NO 7491 (Norway)

    2015-10-05

    Highlights: • Interaction of the intermetallics A{sub 2}B, AB, AB{sub 2}, AB{sub 5} and A{sub 2}B{sub 17} with NH{sub 3} was studied. • The mechanism of interaction of the alloys with ammonia is temperature-dependent. • Hydrides, hydridonitrides, disproportionation products or metal–N–H compounds are formed. • NH{sub 4}Cl was used as an activator of the reaction between ammonia and intermetallics. • Interaction with ammonia results in the synthesis of the nanopowders. - Abstract: Interaction of intermetallic compounds with ammonia was studied as a processing route to synthesize hydrides and hydridonitrides of intermetallic compounds having various stoichiometries and types of crystal structures, including A{sub 2}B, AB, AB{sub 2}, AB{sub 5} and A{sub 2}B{sub 17} (A = Mg, Ti, Zr, Sc, Nd, Sm; B = transition metals, including Fe, Co, Ni, Ti and nontransition elements, Al and B). In presence of NH{sub 4}Cl used as an activator of the reaction between ammonia and intermetallic alloys, their interaction proceeds at rather mild P–T conditions, at temperatures 100–200 °C and at pressures of 0.6–0.8 MPa. The mechanism of interaction of the alloys with ammonia appears to be temperature-dependent and, following a rise of the interaction temperature, it leads to the formation of interstitial hydrides; interstitial hydridonitrides; disproportionation products (binary hydride; new intermetallic hydrides and binary nitrides) or new metal–nitrogen–hydrogen compounds like magnesium amide Mg(NH{sub 2}){sub 2}. The interaction results in the synthesis of the nanopowders where hydrogen and nitrogen atoms become incorporated into the crystal lattices of the intermetallic alloys. The nitrogenated materials have the smallest particle size, down to 40 nm, and a specific surface area close to 20 m{sup 2}/g.

  6. Boosting compound-protein interaction prediction by deep learning.

    Science.gov (United States)

    Tian, Kai; Shao, Mingyu; Wang, Yang; Guan, Jihong; Zhou, Shuigeng

    2016-11-01

    The identification of interactions between compounds and proteins plays an important role in network pharmacology and drug discovery. However, experimentally identifying compound-protein interactions (CPIs) is generally expensive and time-consuming, computational approaches are thus introduced. Among these, machine-learning based methods have achieved a considerable success. However, due to the nonlinear and imbalanced nature of biological data, many machine learning approaches have their own limitations. Recently, deep learning techniques show advantages over many state-of-the-art machine learning methods in some applications. In this study, we aim at improving the performance of CPI prediction based on deep learning, and propose a method called DL-CPI (the abbreviation of Deep Learning for Compound-Protein Interactions prediction), which employs deep neural network (DNN) to effectively learn the representations of compound-protein pairs. Extensive experiments show that DL-CPI can learn useful features of compound-protein pairs by a layerwise abstraction, and thus achieves better prediction performance than existing methods on both balanced and imbalanced datasets. Copyright © 2016 Elsevier Inc. All rights reserved.

  7. Theoretical study on effects of curvature of graphene in conjunction with simultaneous anion- and - stacking interactions

    Directory of Open Access Journals (Sweden)

    Pouya Karimi

    2015-12-01

    Full Text Available A graphene sheet (C102H30 has been rolled up by computational quantum chemistry methods to construct single-walled carbon nanotube fragments (SWCNTFs. The anion-π interactions of F- anion together with π-π stacking interactions of benzene on inner face and outer face of the central rings of SWCNTFs have been concurrently investigated. Structural parameters and energy data of the ternary benzene-SWCNTF-F- complexes were considered. Also, effects of charge transfer and aromaticity were estimated to determine how curvature of graphene influences on simultaneous anion-π and π-π stacking interactions.  Results indicate that curvature of graphene leads to structural changes in SWCNTFs which effects on simultaneous interactions of F- anion and benzene with SWCNTFs. Also, results show that although p-p stacking is a weak interaction, but it can impact on order of binding energies in complexes involved both p-p stacking and anion-p interactions

  8. Flavor release and perception in hard candy: influence of flavor compound-compound interactions.

    Science.gov (United States)

    Schober, Amanda L; Peterson, Devin G

    2004-05-05

    The influence of flavor compound-compound interactions on flavor release properties and flavor perception in hard candy was investigated. Hard candies made with two different modes of binary flavor delivery, (1) L-menthol and 1,8-cineole added as a mixture and (2) L-menthol and 1,8-cineole added separate from one another, were analyzed via breath analysis and sensory time-intensity testing. Single-flavor candy containing only L-menthol or 1,8-cineole was also investigated via breath analysis for comparison. The release rates of both L-menthol and 1,8-cineole in the breath were more rapid and at a higher concentration when the compounds were added to hard candy separate from one another in comparison to their addition as a mixture (conventional protocol). Additionally, the time-intensity study indicated a significantly increased flavor intensity (measured as overall cooling) for hard candy made with separate addition of these flavor compounds. In conclusion, the flavor properties of hard candy can be controlled, at least in part, by flavor compound-compound interactions and may be altered by the method of flavor delivery.

  9. Interaction between natural compounds and human topoisomerase I.

    Science.gov (United States)

    Castelli, Silvia; Coletta, Andrea; D'Annessa, Ilda; Fiorani, Paola; Tesauro, Cinzia; Desideri, Alessandro

    2012-11-01

    Eukaryotic topoisomerase I (Top1) is a monomeric enzyme that catalyzes the relaxation of supercoiled DNA during important processes including DNA replication, transcription, recombination and chromosome condensation. Human Top1 I is of significant medical interest since it is the unique cellular target of camptothecin (CPT), a plant alkaloid that rapidly blocks both DNA and RNA synthesis. In this review, together with CPT, we point out the interaction between human Top1 and some natural compounds, such us terpenoids, flavonoids, stilbenes and fatty acids. The drugs can interact with the enzyme at different levels perturbing the binding, cleavage, rotation or religation processes. Here we focus on different assays that can be used to identify the catalytic step of the enzyme inhibited by different natural compounds.

  10. Simultaneous observations of aerosol-cloud-albedo interactions with three stacked unmanned aerial vehicles.

    Science.gov (United States)

    Roberts, G C; Ramana, M V; Corrigan, C; Kim, D; Ramanathan, V

    2008-05-27

    Aerosol impacts on climate change are still poorly understood, in part, because the few observations and methods for detecting their effects are not well established. For the first time, the enhancement in cloud albedo is directly measured on a cloud-by-cloud basis and linked to increasing aerosol concentrations by using multiple autonomous unmanned aerial vehicles to simultaneously observe the cloud microphysics, vertical aerosol distribution, and associated solar radiative fluxes. In the presence of long-range transport of dust and anthropogenic pollution, the trade cumuli have higher droplet concentrations and are on average brighter. Our observations suggest a higher sensitivity of radiative forcing by trade cumuli to increases in cloud droplet concentrations than previously reported owing to a constrained droplet radius such that increases in droplet concentrations also increase cloud liquid water content. This aerosol-cloud forcing efficiency is as much as -60 W m(-2) per 100% percent cloud fraction for a doubling of droplet concentrations and associated increase of liquid water content. Finally, we develop a strategy for detecting aerosol-cloud interactions based on a nondimensional scaling analysis that relates the contribution of single clouds to albedo measurements and illustrates the significance of characterizing cloud morphology in resolving radiometric measurements. This study demonstrates that aerosol-cloud-albedo interactions can be directly observed by simultaneous observations below, in, and above the clouds.

  11. Simultaneous observations of aerosol–cloud–albedo interactions with three stacked unmanned aerial vehicles

    Science.gov (United States)

    Roberts, G. C.; Ramana, M. V.; Corrigan, C.; Kim, D.; Ramanathan, V.

    2008-01-01

    Aerosol impacts on climate change are still poorly understood, in part, because the few observations and methods for detecting their effects are not well established. For the first time, the enhancement in cloud albedo is directly measured on a cloud-by-cloud basis and linked to increasing aerosol concentrations by using multiple autonomous unmanned aerial vehicles to simultaneously observe the cloud microphysics, vertical aerosol distribution, and associated solar radiative fluxes. In the presence of long-range transport of dust and anthropogenic pollution, the trade cumuli have higher droplet concentrations and are on average brighter. Our observations suggest a higher sensitivity of radiative forcing by trade cumuli to increases in cloud droplet concentrations than previously reported owing to a constrained droplet radius such that increases in droplet concentrations also increase cloud liquid water content. This aerosol-cloud forcing efficiency is as much as −60 W m−2 per 100% percent cloud fraction for a doubling of droplet concentrations and associated increase of liquid water content. Finally, we develop a strategy for detecting aerosol–cloud interactions based on a nondimensional scaling analysis that relates the contribution of single clouds to albedo measurements and illustrates the significance of characterizing cloud morphology in resolving radiometric measurements. This study demonstrates that aerosol–cloud–albedo interactions can be directly observed by simultaneous observations below, in, and above the clouds. PMID:18499803

  12. Effects of base mat flexibility and structure-soil-structure interaction on the seismic responses of a nuclear stack building

    International Nuclear Information System (INIS)

    Kabir, A.F.; Malik, L.E.; Maryak, M.E.

    1991-01-01

    A nuclear exhaust stack building was analyzed considering flexibility of the base mat and through-soil coupling with a nearby massive reactor building. The analysis indicated that the base mat flexibility and the proximity of the reactor building significantly affect the seismic responses of the stack building

  13. Tin compounds interaction with membranes of egg lecithin liposomes

    Energy Technology Data Exchange (ETDEWEB)

    Man, D.; Podolak, M. [Opole Univ. (Poland). Inst. of Physics

    2007-05-15

    This work is a continuation of earlier research concerning the influence of tin compounds on the dynamic properties of liposome membranes produced with lecithin hen egg yolks (EYL). The experiments were carried out at room temperature (about 25 C). Four tin compounds were chosen, including three organic ones, (CH{sub 3}){sub 4}Sn, (C{sub 2}H{sub 5}){sub 4}Sn and (C{sub 3}H{sub 7}){sub 3}SnCl, and one inorganic, SnCl{sub 2}. The investigated compounds were admixed to water dispersions of liposomes. The content of the admixture changed within the range 0 mol-% to 11 mol-% in proportion to EYL. Two spin probes were used in the experiment: 2,2,6,6-tetramethylpiperidine- 1-oxyl (TEMPO) and 2-ethyl-2-(15-methoxy-15-oxopentadecyl)-4,4-dimethyl-3-oxazolidinyloxyl (16-DOXYL-stearic acid), which penetrated through different areas of the membrane. It was found that tin compounds containing chlorine were the most active in interaction with liposome membranes. In the case of (C{sub 3}H{sub 7}){sub 3}SnCl, after exceeding 4% admixture content, an additional line appeared in the spectrum of the TEMPO probe which can be a result of formation of domain structures in the membranes of the studied liposomes. Compounds containing chlorine are of ionized form in water solution. The obtained results can thus mean that the activity of admixtures can be seriously influenced by their ionic character. In case of an admixture of non-ionic compounds the compound with a longer hydrocarbon chain displayed a slightly stronger effect on the spectroscopic parameters of the probes. (orig.)

  14. Algebraic stacks

    Indian Academy of Sciences (India)

    generally, any fiber product) is not uniquely defined: it is only defined up to unique isomorphism. ..... Fiber product. Given two morphisms f1 : F1 ! G, f2 : F2 ! G, we define a new stack. F1 آG F2 (with projections to F1 and F2) as follows. The objects are triples ًX1; X2; ق ..... In fact, any Artin stack F can be defined in this fashion.

  15. Interaction of erythrocytes and hexavalent uranium compounds -an autoanalytical study

    International Nuclear Information System (INIS)

    Stuart, W.I.; Shying, M.E.

    1980-05-01

    An automated analytical system was devised to measure the kinetics of hemolysis by uranyl compounds. Accurate plots of percentage hemolysis v. time were obtained; these, together with the corresponding differential curves, show that hemolysis of plasma-free erythrocytes is a two-stage process. The first stage of hemolysis is particularly affected by pH and anion content of uranyl solutions, and also by incubation of cell suspensions at 37 deg. before mixing with lysing solution. Complementary studies involving Coulter counting and microscopic observation established the general pattern of hemolysis and showed that cell agglutination is a prominent feature of the interaction of cells with uranyl solutions

  16. Compounds interaction on biodegradation of toluene and methyl ...

    African Journals Online (AJOL)

    MEK) mixtures in a composite bead biofilter was investigated. The biodegradation rate of two compounds in the exponential growth phase and stationary phase for the single compound and two compounds mixing systems was determined.

  17. Density of oxidation-induced stacking faults in damaged silicon

    NARCIS (Netherlands)

    Kuper, F.G.; Hosson, J.Th.M. De; Verwey, J.F.

    1986-01-01

    A model for the relation between density and length of oxidation-induced stacking faults on damaged silicon surfaces is proposed, based on interactions of stacking faults with dislocations and neighboring stacking faults. The model agrees with experiments.

  18. Construction of Discrete Pentanuclear Platinum(II) Stacks with Extended Metal-Metal Interactions by Using Phosphorescent Platinum(II) Tweezers.

    Science.gov (United States)

    Kong, Fred Ka-Wai; Chan, Alan Kwun-Wa; Ng, Maggie; Low, Kam-Hung; Yam, Vivian Wing-Wah

    2017-11-20

    Discrete pentanuclear Pt II stacks were prepared by the host-guest adduct formation between multinuclear tweezer-type Pt II complexes. The formation of the Pt II stacks in solution was accompanied by color changes and the turning on of near-infrared emission resulting from Pt⋅⋅⋅Pt and π-π interactions. The X-ray crystal structure revealed the formation of a discrete 1:1 adduct, in which a linear stack of five Pt II centers with extended Pt⋅⋅⋅Pt interactions was observed. Additional binding affinity and stability have been achieved through a multinuclear host-guest system. The binding behaviors can be fine-tuned by varying the spacer between the two Pt II moieties in the guests. This work provides important insights for the construction of discrete higher-order supramolecular metal-ligand aggregates using a tweezer-directed approach. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Energy dependence of radiation interaction parameters of some organic compounds

    Science.gov (United States)

    Singh, Mohinder; Tondon, Akash; Sandhu, B. S.; Singh, Bhajan

    2018-04-01

    Gamma rays interact with a material through photoelectric absorption, Compton scattering, Rayleigh scattering and Pair production in the intermediate energy range. The probability of occurrence of a particular type of process depends on the energy of incident gamma rays, atomic number of the material, scattering angle and geometrical conditions. Various radiological parameters for organic compounds, namely ethylene glycol (C2H6O2), propylene glycol (C3H8O2), glycerin (C3H8O3), isoamyl alcohol (C5H12O), butanone (C4H8O), acetophenone (C8H8O2), cyclohexanone (C6H10O), furfural (C5H4O2), benzaldehyde (C7H6O), cinnamaldehyde (C9H8O), glutaraldehyde (C5H8O2), aniline (C6H7N), benzyl amine (C6H7N), nitrobenzene (C6H5NO2), ethyl benzene (C8H10), ethyl formate (C3H6O2) and water (H2O) are presented at 81, 122, 356 and 511 keV energies employing NaI(Tl) scintillation detector in narrow-beam transmission geometry. The radiation interaction parameters such as mass attenuation, molar extinction and mass energy absorption coefficients, half value layer, total atomic and effective electronic cross-sections and CT number have been evaluated for these organic compounds. The general trend of values of mass attenuation coefficients, half value layer, molar extinction coefficients, total atomic and effective electronic cross-sections and mass energy absorption coefficients shows a decrease with increase in incident gamma photon energy. The values of CT number are found to increases linearly with increase of effective atomic number (Zeff). The variation in CT number around Zeff ≈ 3.3 shows the peak like structure with respect to water and the correlation between CT number and linear attenuation coefficient is about 0.99. Appropriate equations are fitted to these experimentally determined parameters for the organic compounds at incident photon energy ranging from 81 keV to 511 keV used in the present study. Experimental values are compared with the theoretical data obtained using Win

  20. Algebraic stacks

    Indian Academy of Sciences (India)

    truct the 'moduli stack', that captures all the information that we would like in a fine moduli space. ..... the fine moduli space), it has the property that for any family W of vector bundles (i.e. W is a vector bundle over B ...... the etale topology is finer: V is a 'small enough open subset' because the square root can be defined on it.

  1. Hyperfine interaction measurements in biological compounds: the case of hydroxyapatite

    International Nuclear Information System (INIS)

    Leite Neto, Osmar Flavio da Silveira

    2014-01-01

    The use o nanoparticles in current medicine are under intense investigation. The possible advantages proposed by these systems are very impressive and the results may be quite schemer. In this scenario, the association of nanoparticles with radioactive materials (radionuclide) may be the most important step since the discovery of radioactive for nuclear medicine and radiopharmacy, especially for cancer targeting and therapy. The hyperfine interaction of the nuclear probe 111 Cd in the Hydroxyapatite compounds has been investigated by perturbed angular correlation (PAC) spectroscopy in room temperature for the hydroxyapatite made in the temperatures of 90°C, 35°C and with Ho doped, both thermalized and not. The thermalized samples were heated to T= 1273 K for 6 h. The 111 Cd was broadcast in the structure of the material by diffusion, closing in quartz tubes were heated – together with the radioactive PAC probe 111 In/ 111 Cd to T = 1073 K for 12 h. In not thermalized samples the PAC spectra indicate a distribution of frequency, but in the thermalized samples, the PAC spectra shows the presence of β-tri calcium phosphate in the structure of this kind of Hydroxyapatite. (author)

  2. Regulation of Nucleosome Stacking and Chromatin Compaction by the Histone H4 N-Terminal Tail-H2A Acidic Patch Interaction.

    Science.gov (United States)

    Chen, Qinming; Yang, Renliang; Korolev, Nikolay; Liu, Chuan Fa; Nordenskiöld, Lars

    2017-06-30

    Chromatin folding and dynamics are critically dependent on nucleosome-nucleosome interactions with important contributions from internucleosome binding of the histone H4 N-terminal tail K16-R23 domain to the surface of the H2A/H2B dimer. The H4 Lys16 plays a pivotal role in this regard. Using in vitro reconstituted 12-mer nucleosome arrays, we have investigated the mechanism of the H4 N-terminal tail in maintaining nucleosome-nucleosome stacking and mediating intra- and inter-array chromatin compaction, with emphasis on the role of K16 and the positive charge region, R17-R23. Analytical ultracentrifugation sedimentation velocity experiments and precipitation assays were employed to analyze effects on chromatin folding and self-association, respectively. Effects on chromatin folding caused by various mutations and modifications at position K16 in the H4 histone were studied. Additionally, using charge-quenching mutations, we characterized the importance of the interaction of the residues within the H4 positive charge region R17-R23 with the H2A acidic patch of the adjacent nucleosome. Furthermore, crosslinking experiments were conducted to establish the proximity of the basic tail region to the acidic patch. Our data indicate that the positive charge and length of the side chain of H4 K16 are important for its access to the adjacent nucleosome in the process of nucleosome-nucleosome stacking and array folding. The location and orientation of the H4 R17-R23 domain on the H2A/H2B dimer surface of the neighboring nucleosome core particle (NCP) in the compacted chromatin fiber were established. The dominance of electrostatic interactions in maintaining intra-array interaction was demonstrated. Copyright © 2017 Elsevier Ltd. All rights reserved.

  3. A series of Cd(II) complexes with π-π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands

    International Nuclear Information System (INIS)

    Wang Xiuli; Zhang Jinxia; Liu Guocheng; Lin Hongyan

    2011-01-01

    Seven new Cd(II) complexes consisting of different phenanthroline derivatives and organic acid ligands, formulated as [Cd(PIP) 2 (dnba) 2 ] (1), [Cd(PIP)(ox)].H 2 O (2), [Cd(PIP)(1,4-bdc)(H 2 O)].4H 2 O (3), [Cd(3-PIP) 2 (H 2 O) 2 ].4H 2 O (4), [Cd 2 (3-PIP) 4 (4,4'-bpdc)(H 2 O) 2 ].5H 2 O (5), [Cd(3-PIP)(nip)(H 2 O)].H 2 O (6), [Cd 2 (TIP) 4 (4,4'-bpdc)(H 2 O) 2 ].3H 2 O (7) (PIP=2-phenylimidazo[4,5-f]1,10-phenanthroline, 3-PIP=2-(3-pyridyl)imidazo[4,5-f]1,10-phenanthroline, TIP=2-(2-thienyl)imidazo[4,5-f]1,10-phenanthroline, Hdnba=3,5-dinitrobenzoic acid, H 2 ox=oxalic acid, 1,4-H 2 bdc=benzene-1,4-dicarboxylic acid, 4,4'-H 2 bpdc=biphenyl-4,4'-dicarboxylic acid, H 2 nip=5-nitroisophthalic acid) have been synthesized under hydrothermal conditions. Complexes 1 and 4 possess mononuclear structures; complexes 5 and 7 are isostructural and have dinuclear structures; complexes 2 and 3 feature 1D chain structures; complex 6 contains 1D double chain, which are further extended to a 3D supramolecular structure by π-π stacking and hydrogen bonding interactions. The N-donor ligands with extended π-system and organic acid ligands play a crucial role in the formation of the final supramolecular frameworks. Moreover, thermal properties and fluorescence of 1-7 are also investigated. -- Graphical abstract: Seven new supramolecular architectures have been successfully isolated under hydrothermal conditions by reactions of different phen derivatives and Cd(II) salts together with organic carboxylate anions auxiliary ligands. Display Omitted Research highlights: → Complexes 1-7 are 0D or 1D polymeric structure, the π-π stacking and H-bonding interactions extend the complexes into 3D supramolecular network. To our knowledge, systematic study on π-π stacking and H-bonding interactions in cadmium(II) complexes are still limited. → The structural differences among the title complexes indicate the importance of N-donor chelating ligands for the creation of molecular

  4. Effects of stacking fault energies on the interaction between an edge dislocation and an 8.0-nm-diameter Frank loop of self-interstitial atoms

    Directory of Open Access Journals (Sweden)

    S. Hayakawa

    2016-12-01

    Full Text Available Molecular dynamics simulations were conducted to investigate the effects of stacking fault energy (SFE as a single variable parameter on the interaction between an edge dislocation and a Frank loop of self-interstitial atoms with a diameter of 8.0nm. The physical contact between the edge dislocation and the loop causes constriction of the edge dislocation, followed by the formation of a D-Shockley partial dislocation. The latter process is associated with either the formation of a screw component and its cross-slip, or the direct core reaction between the dislocation and the loop. These processes induce either the absorption of the loop into the dislocation or the transformation of the loop into a perfect loop. The SFE influences the interaction morphologies by determining the separation distance of the two partial dislocations and consequently the rate of constriction. The dependence of the interaction morphology on the SFE varies with the habit plane of the loop. A higher SFE increases the probability of the absorption or transformation interaction; however, only loop shearing is observed at the lower limit of the SFE range of austenitic stainless steels.

  5. PieceStack: Toward Better Understanding of Stacked Graphs.

    Science.gov (United States)

    Wu, Tongshuang; Wu, Yingcai; Shi, Conglei; Qu, Huamin; Cui, Weiwei

    2016-02-24

    Stacked graphs have been widely adopted in various fields, because they are capable of hierarchically visualizing a set of temporal sequences as well as their aggregation. However, because of visual illusion issues, connections between overly-detailed individual layers and overly-generalized aggregation are intercepted. Consequently, information in this area has yet to be fully excavated. Thus, we present PieceStack in this paper, to reveal the relevance of stacked graphs in understanding intrinsic details of their displayed shapes. This new visual analytic design interprets the ways through which aggregations are generated with individual layers by interactively splitting and re-constructing the stacked graphs. A clustering algorithm is designed to partition stacked graphs into sub-aggregated pieces based on trend similarities of layers. We then visualize the pieces with augmented encoding to help analysts decompose and explore the graphs with respect to their interests. Case studies and a user study are conducted to demonstrate the usefulness of our technique in understanding the formation of stacked graphs.

  6. Mononuclear and dinuclear manganese compounds stabilized by supramolecular interactions

    NARCIS (Netherlands)

    Viciano-Chumillas, M.; Giménez-Marqués, M.; Tanase, S.; Mutikainen, I.; Turpeinen, U.; Smits, J.M.M.; van Gelder, R.; de Jongh, L.J.; Reedijk, J.

    2012-01-01

    New manganese compounds [Mn(HphpzMe)2(H2phpzMe)(HCO2)] (1), [Mn2(phpzMe)2(HphpzMe)2(OCH3)]·2CH3OH (2), Na{[Mn(HphpzPh)(phpzPh)(MeOH)2]2}(HCO2) (3), [Mn(HphpzPh)2(EtOH)2]ClO4·2EtOH (4) and [Mn(HphpzPh)2N3] (5) were synthesized and characterized with various techniques. 1, 4 and 5 are mononuclear

  7. Quark compound bag (QCB) model and nucleon-nucleon interaction

    International Nuclear Information System (INIS)

    Simonov, Yu.A.

    1983-01-01

    Quark degrees of freedom are treated in the NN system in the framework of the QCB model. The resulting QCB potential is in agreement with experimental data. P-matrix analysis inherent to the QCB model is discussed in detail. Applications of the QCB model are given including the weak NN interaction

  8. Pyrolysis mechanism of microalgae Nannochloropsis sp. based on model compounds and their interaction

    International Nuclear Information System (INIS)

    Wang, Xin; Tang, Xiaohan; Yang, Xiaoyi

    2017-01-01

    Highlights: • Pyrolysis experiments were conducted by model compounds of algal components. • Interaction affected little bio-crude yield of model compounds co-pyrolysis. • Some interaction pathways between microalgae components were recommended. • N-heterocyclic compounds were further pyrolysis products of Maillard reaction products. • Surfactant synthesis (lipid-amino acids and lipid-glucose) between algal components. - Abstract: Pyrolysis is one of important pathways to convert microalgae to liquid biofuels and key components of microalgae have different chemical composition and structure, which provides a barrier for large-scale microalgae-based liquid biofuel application. Microalgae component pyrolysis mechanism should be researched to optimal pyrolysis process parameters. In this study, single pyrolysis and co-pyrolysis of microalgal components (model compounds castor oil, soybean protein and glucose) were conducted to reveal interaction between them by thermogrametric analysis and bio-crude evaluation. Castor oil (model compound of lipid) has higher pyrolysis temperature than other model compounds and has the maximum contribution to bio-crude formation. Bio-crude from soybean protein has higher N-heterocyclic compounds as well as phenols, which could be important aromatic hydrocarbon source during biorefineries and alternative aviation biofuel production. Potential interaction pathways based on model compounds are recommended including further decomposition of Maillard reaction products (MRPs) and surfactant synthesis, which indicate that glucose played an important role on pyrolysis of microalgal protein and lipid components. The results should provide necessary information for microalgae pyrolysis process optimization and large-scale pyrolysis reactor design.

  9. Recognition of 5'-YpG-3' sequences by coupled stacking/hydrogen bonding interactions with amino acid residues.

    Science.gov (United States)

    Lamoureux, Jason S; Maynes, Jason T; Glover, J N Mark

    2004-01-09

    The combined biochemical and structural study of hundreds of protein-DNA complexes has indicated that sequence-specific interactions are mediated by two mechanisms termed direct and indirect readout. Direct readout involves direct interactions between the protein and base-specific atoms exposed in the major and minor grooves of DNA. For indirect readout, the protein recognizes DNA by sensing conformational variations in the structure dependent on nucleotide sequence, typically through interactions with the phosphodiester backbone. Based on our recent structure of Ndt80 bound to DNA in conjunction with a search of the existing PDB database, we propose a new method of sequence-specific recognition that utilizes both direct and indirect readout. In this mode, a single amino acid side-chain recognizes two consecutive base-pairs. The 3'-base is recognized by canonical direct readout, while the 5'-base is recognized through a variation of indirect readout, whereby the conformational flexibility of the particular dinucleotide step, namely a 5'-pyrimidine-purine-3' step, facilitates its recognition by the amino acid via cation-pi interactions. In most cases, this mode of DNA recognition helps explain the sequence specificity of the protein for its target DNA.

  10. Interactions between wine phenolic compounds and human saliva in astringency perception.

    Science.gov (United States)

    García-Estévez, Ignacio; Ramos-Pineda, Alba María; Escribano-Bailón, María Teresa

    2018-03-01

    Astringency is a complex perceptual phenomenon involving several sensations that are perceived simultaneously. The mechanism leading to these sensations has been thoroughly and controversially discussed in the literature and it is still not well understood since there are many contributing factors. Although we are still far from elucidating the mechanisms whereby astringency develops, the interaction between phenolic compounds and proteins (from saliva, oral mucosa or cells) seems to be most important. This review summarizes the recent trends in the protein-phenol interaction, focusing on the effect of the structure of the phenolic compound on the interaction with salivary proteins and on methodologies based on these interactions to determine astringency.

  11. Pre-compound emission in low-energy heavy-ion interactions

    Directory of Open Access Journals (Sweden)

    Kumar Sharma Manoj

    2017-01-01

    Full Text Available Recent experimental studies have shown the presence of pre-compound emission component in heavy ion reactions at low projectile energy ranging from 4 to 7 MeV/nucleons. In earlier measurements strength of the pre-compound component has been estimated from the difference in forward-backward distributions of emitted particles. Present measurement is a part of an ongoing program on the study of reaction dynamics of heavy ion interactions at low energies aimed at investigating the effect of momentum transfer in compound, precompound, complete and incomplete fusion processes in heavy ion reactions. In the present work on the basis of momentum transfer the measurement of the recoil range distributions of heavy residues has been used to decipher the components of compound and pre-compound emission processes in the fusion of 16O projectile with 159Tb and 169Tm targets. The analysis of recoil range distribution measurements show two distinct linear momentum transfer components corresponding to pre-compound and compound nucleus processes are involved. In order to obtain the mean input angular momentum associated with compound and pre-compound emission processes, an online measurement of the spin distributions of the residues has been performed. The analysis of spin distribution indicate that the mean input angular momentum associated with pre-compound products is found to be relatively lower than that associated with compound nucleus process. The pre-compound components obtained from the present analysis are consistent with those obtained from the analysis of excitation functions.

  12. Evolution and interaction of twins, dislocations and stacking faults in rolled α-brass during nanostructuring at sub-zero temperature

    Directory of Open Access Journals (Sweden)

    Barna Roy

    2014-06-01

    Full Text Available The effect of cryorolling (CR strain at 153 K on the evolution of structural defects and their interaction in α−brass (Cu–30 wt.% Zn during nanostructuring has been evaluated. Even though the lattice strain increases up to 2.1 × 10−3 at CR strain of 0.6 initially, but it remains constant upon further rolling. Whereas, the twin density (β increases to a maximum value of 5.9 × 10−3 at a CR strain of 0.7 and reduces to 1.1 × 10−5 at 0.95. Accumulation of stacking faults (SFs and lattice disorder at the twin boundaries causes dynamic recrystallization, promotes grain refinement and decreases the twin density by forming subgrains. Detailed investigations on the formation and interaction of defects have been done through resistivity, positron lifetime and Doppler broadening measurements in order to understand the micro-mechanism of nanostructuring at sub-zero temperatures.

  13. Generalized data stacking programming model with applications

    Directory of Open Access Journals (Sweden)

    Hala Samir Elhadidy

    2016-09-01

    Full Text Available Recent researches have shown that, everywhere in various sciences the systems are following stacked-based stored change behavior when subjected to events or varying environments “on and above” their normal situations. This paper presents a generalized data stack programming (GDSP model which is developed to describe the system changes under varying environment. These changes which are captured with different ways such as sensor reading are stored in matrices. Extraction algorithm and identification technique are proposed to extract the different layers between images and identify the stack class the object follows; respectively. The general multi-stacking network is presented including the interaction between various stack-based layering of some applications. The experiments prove that the concept of stack matrix gives average accuracy of 99.45%.

  14. The polar 2e/12c bond in phenalenyl-azaphenalenyl hetero-dimers: Stronger stacking interaction and fascinating interlayer charge transfer

    Science.gov (United States)

    Zhong, Rong-Lin; Xu, Hong-Liang; Li, Zhi-Ru

    2016-08-01

    An increasing number of chemists have focused on the two-electron/multicenter bond (2e/mc) that was first introduced to interpret the bonding mechanism of radical dimers. Herein, we report the polar two-electron/twelve center (2e/12c) bonding character in a series of phenalenyl-azaphenalenyl radical hetero-dimers. Interestingly, the bonding energy of weaker polar hetero-dimer (P-TAP) is dominated by the overlap of the two different singly occupied molecular orbital of radicals, while that of stronger polar hetero-dimer (P-HAP) is dominated by the electrostatic attraction. Results show that the difference between the electronegativity of the monomers plays a prominent role in the essential attribution of the polar 2e/12c bond. Correspondingly, a stronger stacking interaction in the hetero-dimer could be effectively achieved by increasing the difference of nitrogen atoms number between the monomers. It is worthy of note that an interesting interlayer charge transfer character is induced in the polar hetero-dimers, which is dependent on the difference between the electronegativity of the monomers. It is our expectation that the new knowledge about the bonding nature of radical hetero-dimers might provide important information for designing radical based functional materials with various applications.

  15. Plasma surface interactions in nanoscale processing: Preservation of low-k integrity and high-k gate-stack etching with silicon selectivity

    Science.gov (United States)

    Shoeb, Juline

    Plasma-surface interactions are very important in the fabrication of the nm-sized features of integrated circuits. Plasma processes are employed to produce high-resolution patterns in many of the thin layers of silicon integrated circuits and to remove masking layers while maintaining high selectivity. Integrated plasma processes consisting of sequential steps such as etch, clean and surface modification, are used in semiconductor industries. The surface in contact with the process plasma is exposed to the fluxes of neutrals, ions, molecules, electrons and photons. Modeling of surface reaction mechanisms requires the determination of the characterizations of fluxes (e.g. composition, magnitude, energy and angle) and development of the reaction mechanisms of the processes such as adsorption, reflection, bond breaking and etch product evolution, while reproducing the experimental results. When modeling the reaction mechanism for an entirely new material, the experimental data is often fragmentary. Therefore, fundamental principles such as bond energies and volatility of the etch products must be considered to develop the mechanism. In this thesis, results from a computational investigation of porous low-k SiCOH etching in fluorocarbon plasmas, damage during cleaning of CFx polymer etch residue in Ar/O2 and He/H2 plasmas, NH3 plasma pore sealing and low-k degradation due to water uptake, will be discussed. The plasma etching of HfO2 gate-stacks is also computationally investigated with an emphasis on the selectivity between HfO2 and Si.

  16. Interaction of cadmium(2) trifluoroacetate with activated aromatic compounds: a new reaction of direct metallation

    International Nuclear Information System (INIS)

    Boev, V.I.; Denisov, S.P.; Moskalenko, A.I.; Stamova, L.G.; Gulin, A.V.

    2000-01-01

    Interaction of cadmium trifluoroacetate with aniline, 4-bromo-aniline, indole and benzimidazole was studied to develop a simple method for synthesizing cadmium organic compounds by direct electrophilic metallation of aromatic compounds. It is shown that heating of the reagents in anhydrous ethanol for several hours or without a solvent at 100-120 deg C for 5-10 min with subsequent treatment of the reacting mass by sodium chloride involves formation of the relevant cadmium organic compounds. The substances prepared were characterized by the methods of element analysis, IR and 1 H NMR spectroscopy [ru

  17. Studies on complex π-π and T-stacking features of imidazole and phenyl/p-halophenyl units in series of 5-amino-1-(phenyl/p-halophenyl)imidazole-4-carboxamides and their carbonitrile derivatives: Role of halogens in tuning of conformation

    Science.gov (United States)

    Das, Aniruddha

    2017-11-01

    5-amino-1-(phenyl/p-halophenyl)imidazole-4-carboxamides (N-phenyl AICA) (2a-e) and 5-amino-1-(phenyl/p-halophenyl)imidazole-4-carbonitriles (N-phenyl AICN) (3a-e) had been synthesized. X-ray crystallographic studies of 2a-e and 3a-e had been performed to identify any distinct change in stacking patterns in their crystal lattice. Single crystal X-ray diffraction studies of 2a-e revealed π-π stack formations with both imidazole and phenyl/p-halophenyl units in anti and syn parallel-displaced (PD)-type dispositions. No π-π stacking of imidazole occurred when the halogen substituent is bromo or iodo; π-π stacking in these cases occurred involving phenyl rings only. The presence of an additional T-stacking had been observed in crystal lattices of 3a-e. Vertical π-π stacking distances in anti-parallel PD-type arrangements as well as T-stacking distances had shown stacking distances short enough to impart stabilization whereas syn-parallel stacking arrangements had got much larger π-π stacking distances to belie any syn-parallel stacking stabilization. DFT studies had been pursued for quantifying the π-π stacking and T-stacking stabilization. The plotted curves for anti-parallel and T-stacked moieties had similarities to the 'Morse potential energy curve for diatomic molecule'. The minima of the curves corresponded to the most stable stacking distances and related energy values indicated stacking stabilization. Similar DFT studies on syn-parallel systems of 2b corresponded to no π-π stacking stabilization at all. Halogen-halogen interactions had also been observed to stabilize the compounds 2d, 2e and 3d. Nano-structural behaviour of the series of compounds 2a-e and 3a-e were thoroughly investigated.

  18. The importance of pKa in an analysis of the interaction of compounds with DNA.

    Science.gov (United States)

    Saha, Mouli; Nandy, Promita; Chakraborty, Mousumi; Das, Piyal; Das, Saurabh

    2018-05-01

    pK a of a compound is crucial for determining the contributions of different forms of it towards overall binding with DNA. Hence it is important to use correct pK a values in DNA interaction studies. This study takes a look at the importance of pK a values to realize binding of compounds with DNA. Since pK a of a compound determined in the presence of DNA is quite different from that determined in its absence hence, presence of different forms of a compound during interaction with DNA is different from that realized if the determination of pK a is done in normal aqueous solution in absence of DNA. Hence, calculations determining contributions of different forms of a compound interacting with DNA are affected accordingly. Two simple analogues of anthracyclines, alizarin and purpurin, were used to investigate the influence DNA has on pK a values. Indeed, they were different in presence of DNA than when determined in normal aqueous solution. pK a1 for alizarin and purpurin determined in the absence and presence of calf thymus DNA were used in equations that determine contributions of two forms (neutral and anionic) towards overall binding with DNA. The study concludes that correct pK a values, determined correctly i.e. under appropriate conditions, must be used for DNA binding experiments to evaluate contributions of individual forms. Copyright © 2018 Elsevier B.V. All rights reserved.

  19. Interaction of chelate cyclopentadienyl compounds of zirconium and hafnium with bromine

    International Nuclear Information System (INIS)

    Brajnina, Eh.M.; Minacheva, M.Kh.

    1975-01-01

    Interaction of bromine with Zr and Hf dibenzoylmethane (DBM) compounds of following type: (DBM) 4 M, CpM(DBM) 3 and Cp 2 M(DBM) 2 leads to the formation of (DBM) 2 MBr 2 , (DBM) 3 MBr and CpZr(DBM) 2 Br in the rations which depend on the conditions of the reaction (Cp=C 5 H 5 )

  20. Systematic identification of the druggable interactions between human protein kinases and naturally occurring compounds in endometriosis.

    Science.gov (United States)

    Jiang, Lai; Tang, Chaoliang; Rao, Jie; Xue, Qing; Wu, Hao; Wu, Dabao; Zhang, Aijun; Chen, Ling; Shen, Zhen; Lei, Lei

    2017-12-01

    Diverse kinase signaling pathways have been involved in the pathogenesis of endometriosis (EM), which can be modulated either by directly targeting the hub kinases or by indirectly regulating marginal members in the pathways. Here, a systematic kinase-inhibitor interaction profile was created for 8 naturally occurring compounds against 20 human protein kinases. The compounds are all non-sterid that have been reported as pharmacologically active molecular entities potential for EM therapeutics, while the kinases were curated via gene ontology terms enriched from the gene co-citation network with EM. The resulting profile was analyzed at structural, energetic and dynamic levels to identify druggable kinase-compound interactions. The compounds Gossypol, Curcumin and EGCG showed a similar interaction profile across these kinases; they can bind tightly to the top-listed kinases in gene ontology, while the compounds Marrubiin, Apigenin and DIM were predicted to exhibit generally weak affinity for the 20 curated kinases. The JNK kinase, a MAPK family member, was identified as a putative candidate of druggable target for EM therapeutics; the inhibitory activity of eight naturally occurring compounds as well as a sophisticated kinase inhibitor SP600125 against the JNK was tested using enzymatic activity analysis. As might be expected, the Gossypol and EGCG were determined to have high inhibitory activity at namomolar level (IC 50 =55 and 94nM, respectively), which are comparable with or better than the positive control SP600125 (IC 50 =76nM), while other tested compounds exhibited weak inhibition (IC 50 >100nM) or bad potency (IC 50 =n.d.) against the kinase. Copyright © 2017 Elsevier Ltd. All rights reserved.

  1. Deploying OpenStack

    CERN Document Server

    Pepple, Ken

    2011-01-01

    OpenStack was created with the audacious goal of being the ubiquitous software choice for building public and private cloud infrastructures. In just over a year, it's become the most talked-about project in open source. This concise book introduces OpenStack's general design and primary software components in detail, and shows you how to start using it to build cloud infrastructures. If you're a developer, technologist, or system administrator familiar with cloud offerings such as Rackspace Cloud or Amazon Web Services, Deploying OpenStack shows you how to obtain and deploy OpenStack softwar

  2. Sorption interactions of organic compounds with soils affected by agricultural olive mill wastewater.

    Science.gov (United States)

    Keren, Yonatan; Borisover, Mikhail; Bukhanovsky, Nadezhda

    2015-11-01

    The organic compound-soil interactions may be strongly influenced by changes in soil organic matter (OM) which affects the environmental fate of multiple organic pollutants. The soil OM changes may be caused by land disposal of various OM-containing wastes. One unique type of OM-rich waste is olive mill-related wastewater (OMW) characterized by high levels of OM, the presence of fatty aliphatics and polyphenolic aromatics. The systematic data on effects of the land-applied OMW on organic compound-soil interactions is lacking. Therefore, aqueous sorption of simazine and diuron, two herbicides, was examined in batch experiments onto three soils, including untreated and OMW-affected samples. Typically, the organic compound-soil interactions increased following the prior land application of OMW. This increase is associated with the changes in sorption mechanisms and cannot be attributed solely to the increase in soil organic carbon content. A novel observation is that the OMW application changes the soil-sorbent matrix in such a way that the solute uptake may become cooperative or the existing ability of a soil sorbent to cooperatively sorb organic molecules from water may become characterized by a larger affinity. The remarkable finding of this study was that in some cases a cooperative uptake of organic molecules by soils makes itself evident in distinct sigmoidal sorption isotherms rarely observed in soil sorption of non-ionized organic compounds; the cooperative herbicide-soil interactions may be characterized by the Hill model coefficients. However, no single trend was found for the effect of applied OMW on the mechanisms of organic compound-soil interactions. Copyright © 2015 Elsevier Ltd. All rights reserved.

  3. Open stack thermal battery tests

    Energy Technology Data Exchange (ETDEWEB)

    Long, Kevin N. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Roberts, Christine C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Grillet, Anne M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Headley, Alexander J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Fenton, Kyle [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Wong, Dennis [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Ingersoll, David [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2017-04-17

    We present selected results from a series of Open Stack thermal battery tests performed in FY14 and FY15 and discuss our findings. These tests were meant to provide validation data for the comprehensive thermal battery simulation tools currently under development in Sierra/Aria under known conditions compared with as-manufactured batteries. We are able to satisfy this original objective in the present study for some test conditions. Measurements from each test include: nominal stack pressure (axial stress) vs. time in the cold state and during battery ignition, battery voltage vs. time against a prescribed current draw with periodic pulses, and images transverse to the battery axis from which cell displacements are computed. Six battery configurations were evaluated: 3, 5, and 10 cell stacks sandwiched between 4 layers of the materials used for axial thermal insulation, either Fiberfrax Board or MinK. In addition to the results from 3, 5, and 10 cell stacks with either in-line Fiberfrax Board or MinK insulation, a series of cell-free “control” tests were performed that show the inherent settling and stress relaxation based on the interaction between the insulation and heat pellets alone.

  4. Interaction of a biguanide compound with membrane model interface systems: probing the properties of antimalaria and antidiabetic compounds.

    Science.gov (United States)

    Samart, Nuttaporn; Beuning, Cheryle N; Haller, Kenneth J; Rithner, Chris D; Crans, Debbie C

    2014-07-29

    Since membrane penetration is important for drug efficacy, how antimalarial precursor material 1-phenylbiguanide (PBG) interacts with an interface was characterized using a reverse micelle (RM) model system. (1)H NMR studies show that PBG partitions across the membrane interface. Specifically, the (1)H NMR studies showed that the 1-phenylbiguanide compound in an aqueous environment changed when placed near an interface. PBG is known to affect hydrogen bonding in water, and as the size of the RMs changes, the water organization in the water pool is changed. The NOESY spectrum of PBG in AOT RM contains cross-peak signals between the PBG protons and AOT protons, which is consistent with the penetration of the PBG into the interface. At the same time, there is a cross peak between the biguanide moiety and the HOD signal. This shows that these NH protons are near the HOD protons, placing the biguanide functional group in the water pool. Preliminary differential FTIR spectroscopic studies confirmed this location. In summary, we found that PBG interacts with different regions of the interface, with the phenyl group penetrating the hydrophobic interface while the biguanide remains in the water pool.

  5. OpenStack essentials

    CERN Document Server

    Radez, Dan

    2015-01-01

    If you need to get started with OpenStack or want to learn more, then this book is your perfect companion. If you're comfortable with the Linux command line, you'll gain confidence in using OpenStack.

  6. Mastering OpenStack

    CERN Document Server

    Khedher, Omar

    2015-01-01

    This book is intended for system administrators, cloud engineers, and system architects who want to deploy a cloud based on OpenStack in a mid- to large-sized IT infrastructure. If you have a fundamental understanding of cloud computing and OpenStack and want to expand your knowledge, then this book is an excellent checkpoint to move forward.

  7. Dietary fiber and phenolic compounds as functional ingredients: interaction and possible effect after ingestion.

    Science.gov (United States)

    Quirós-Sauceda, A E; Palafox-Carlos, H; Sáyago-Ayerdi, S G; Ayala-Zavala, J F; Bello-Perez, L A; Alvarez-Parrilla, E; de la Rosa, L A; González-Córdova, A F; González-Aguilar, G A

    2014-06-01

    Dietary fiber and phenolic compounds are two recognized dietary factors responsible for potential effects on human health; therefore, they have been widely used to increase functionality of some foods. This paper focuses on showing the use of both substances as functional ingredients for enriching foods, and at the same time, describes the use of a single material that combines the properties of the two types of substances. The last part of the work describes some facts related to the interaction between dietary fiber and phenolic compounds, which could affect the bioaccessibility and absorption of phenolics in the gut. In this sense, the purpose of the present review is to compile and analyze evidence relating to the use of dietary fiber and phenolic compounds to enhance technological and nutritional properties of foods and hypothesize some of the possible effects in the gut after their ingestion.

  8. COPPER RESISTANT STRAIN CANDIDA TROPICALIS RomCu5 INTERACTION WITH SOLUBLE AND INSOLUBLE COPPER COMPOUNDS

    Directory of Open Access Journals (Sweden)

    Ie. P. Prekrasna

    2015-10-01

    Full Text Available The focus of the study was interaction of Candida tropicalis RomCu5 isolated from highland Ecuador ecosystem with soluble and insoluble copper compounds. Strain C. tropicalis RomCu5 was cultured in a liquid medium of Hiss in the presence of soluble (copper citrate and CuCl2 and insoluble (CuO and CuCO3 copper compounds. The biomass growth was determined by change in optical density of culture liquid, composition of the gas phase was measured on gas chromatograph, redox potential and pH of the culture fluid was defined potentiometrically. The concentration of soluble copper compounds was determined colorimetrically. Maximal permissible concentration of Cu2+ for C. tropicalis RomCu5 was 30 000 ppm of Cu2+ in form of copper citrate and 500 ppm of Cu2+ in form of CuCl2. C. tropicalis was metabolically active at super high concentrations of Cu2+, despite the inhibitory effect of Cu2+. C. tropicalis immobilized Cu2+ in the form of copper citrate and CuCl2 by it accumulation in the biomass. Due to medium acidification C. tropicalis dissolved CuO and CuCO3. High resistance of C. tropicalis to Cu2+ and ability to interact with soluble and insoluble copper compounds makes it biotechnologically perspective.

  9. The Dynamics of Autism Spectrum Disorders: How Neurotoxic Compounds and Neurotransmitters Interact

    Directory of Open Access Journals (Sweden)

    Margot Van de Bor

    2013-08-01

    Full Text Available In recent years concern has risen about the increasing prevalence of Autism Spectrum Disorders (ASD. Accumulating evidence shows that exposure to neurotoxic compounds is related to ASD. Neurotransmitters might play a key role, as research has indicated a connection between neurotoxic compounds, neurotransmitters and ASD. In the current review a literature overview with respect to neurotoxic exposure and the effects on neurotransmitter systems is presented. The aim was to identify mechanisms and related factors which together might result in ASD. The literature reported in the current review supports the hypothesis that exposure to neurotoxic compounds can lead to alterations in the GABAergic, glutamatergic, serotonergic and dopaminergic system which have been related to ASD in previous work. However, in several studies findings were reported that are not supportive of this hypothesis. Other factors also might be related, possibly altering the mechanisms at work, such as time and length of exposure as well as dose of the compound. Future research should focus on identifying the pathway through which these factors interact with exposure to neurotoxic compounds making use of human studies.

  10. The lattice dynamical studies of rare earth compounds: electron-phonon interactions

    International Nuclear Information System (INIS)

    Jha, Prafulla K.; Sanyal, Sankar P.; Singh, R.K.

    2002-01-01

    During the last two decades chalcogenides and pnictides of rare earth (RE) atoms have drawn considerable attention of the solid state physicists because of their peculiar electronic, magnetic, optical and phonon properties. Some of these compounds e.g. sulphides and selenides of cerium (Ce), samarium (Sm), yttrium (Y), ytterbium (Yb), europium (Eu) and thulium (Tm) and their alloys show nonintegral valence (between 2 and 3), arising due to f-d electron hybridization at ambient temperature and pressure. The rare earth mixed valence compounds (MVC) reviewed in this article crystallize in simple cubic structure. Most of these compounds show the existence of strong electron-phonon coupling at half way to the zone boundary. This fact manifests itself through softening of the longitudinal acoustic mode, negative value of elastic constant C 12 etc. The purpose of this contribution is to review some of the recent activities in the fields of lattice dynamics and allied properties of rare earth compounds. The present article is primarily devoted to review the effect of electron-phonon interactions on the dynamical properties of rare earth compounds by using the lattice dynamical model theories based on charged density deformations and long-range many body forces. While the long range charge transfer effect arises due to f-d hybridization of nearly degenerate 4f-5d bands of rare earth ions, the density deformation comes into the picture of breathing motion of electron shells. These effects of charge transfer and charge density deformation when considered in the lattice dynamical models namely the three body force rigid ion model (TRM) and breathing shell model (BSM) are quite successful in explaining the phonon anomalies in these compounds and undoubtedly unraveled many important physical process governing the phonon anomalies in rare earth compounds

  11. Volatile compound-mediated interactions between barley and pathogenic fungi in the soil.

    Science.gov (United States)

    Fiers, Marie; Lognay, Georges; Fauconnier, Marie-Laure; Jijakli, M Haïssam

    2013-01-01

    Plants are able to interact with their environment by emitting volatile organic compounds. We investigated the volatile interactions that take place below ground between barley roots and two pathogenic fungi, Cochliobolus sativus and Fusarium culmorum. The volatile molecules emitted by each fungus, by non-infected barley roots and by barley roots infected with one of the fungi or the two of them were extracted by head-space solid phase micro extraction and analyzed by gas chromatography mass spectrometry. The effect of fungal volatiles on barley growth and the effect of barley root volatiles on fungal growth were assessed by cultivating both organisms in a shared atmosphere without any physical contact. The results show that volatile organic compounds, especially terpenes, are newly emitted during the interaction between fungi and barley roots. The volatile molecules released by non-infected barley roots did not significantly affect fungal growth, whereas the volatile molecules released by pathogenic fungi decreased the length of barley roots by 19 to 21.5% and the surface of aerial parts by 15%. The spectrum of the volatiles released by infected barley roots had no significant effect on F. culmorum growth, but decreased C. sativus growth by 13 to 17%. This paper identifies the volatile organic compounds emitted by two pathogenic fungi and shows that pathogenic fungi can modify volatile emission by infected plants. Our results open promising perspectives concerning the biological control of edaphic diseases.

  12. Interactions of microalgae and other microorganisms for enhanced production of high-value compounds.

    Science.gov (United States)

    Lutzu, Giovanni Antonio; Turgut Dunford, Nurhan

    2018-03-01

    The cultivation of microalgae for the production of biomass and associated valuable compounds has gained increasing interest not only within the scientific community but also at the industrial level. Microalgae cells are capable of producing high-value compounds that are widely used in food, feed, pharmaceutical, medical, nutraceutical, cosmeceutical, and aquaculture industries. For example, lipids produced by algae can be converted to biodiesel, other fuels and bio-products. Hence, high oil content algal biomass has been regarded as a potential alternative feedstock to replace terrestrial crops for sustainable production of bio-products. It has been reported that the interaction of microalgae and other microorganisms greatly enhances the efficiency of microalgal biomass production and its chemical composition. Microalgae-bacteria interaction with an emphasis on the nature of symbiotic relationship in mutualisitc and parasitic consortia has been extensively studied. For instance, it is well documented that production of vitamins or growth promoting factors by bacteria enhances the growth of microalgae. Little attention has been paid to the consortia formed by microalgae and other microorganisms such as other microalgae strains, cyanobacteria, fungi, and yeasts. Hence, the aim of this review is to investigate the impact of the microalgae-other microorganism interactions on the production of high value compounds.

  13. Volatile compound-mediated interactions between barley and pathogenic fungi in the soil.

    Directory of Open Access Journals (Sweden)

    Marie Fiers

    Full Text Available Plants are able to interact with their environment by emitting volatile organic compounds. We investigated the volatile interactions that take place below ground between barley roots and two pathogenic fungi, Cochliobolus sativus and Fusarium culmorum. The volatile molecules emitted by each fungus, by non-infected barley roots and by barley roots infected with one of the fungi or the two of them were extracted by head-space solid phase micro extraction and analyzed by gas chromatography mass spectrometry. The effect of fungal volatiles on barley growth and the effect of barley root volatiles on fungal growth were assessed by cultivating both organisms in a shared atmosphere without any physical contact. The results show that volatile organic compounds, especially terpenes, are newly emitted during the interaction between fungi and barley roots. The volatile molecules released by non-infected barley roots did not significantly affect fungal growth, whereas the volatile molecules released by pathogenic fungi decreased the length of barley roots by 19 to 21.5% and the surface of aerial parts by 15%. The spectrum of the volatiles released by infected barley roots had no significant effect on F. culmorum growth, but decreased C. sativus growth by 13 to 17%. This paper identifies the volatile organic compounds emitted by two pathogenic fungi and shows that pathogenic fungi can modify volatile emission by infected plants. Our results open promising perspectives concerning the biological control of edaphic diseases.

  14. Impact of Microalgae-Bacteria Interactions on the Production of Algal Biomass and Associated Compounds.

    Science.gov (United States)

    Fuentes, Juan Luis; Garbayo, Inés; Cuaresma, María; Montero, Zaida; González-Del-Valle, Manuel; Vílchez, Carlos

    2016-05-19

    A greater insight on the control of the interactions between microalgae and other microorganisms, particularly bacteria, should be useful for enhancing the efficiency of microalgal biomass production and associated valuable compounds. Little attention has been paid to the controlled utilization of microalgae-bacteria consortia. However, the studies of microalgal-bacterial interactions have revealed a significant impact of the mutualistic or parasitic relationships on algal growth. The algal growth, for instance, has been shown to be enhanced by growth promoting factors produced by bacteria, such as indole-3-acetic acid. Vitamin B12 produced by bacteria in algal cultures and bacterial siderophores are also known to be involved in promoting faster microalgal growth. More interestingly, enhancement in the intracellular levels of carbohydrates, lipids and pigments of microalgae coupled with algal growth stimulation has also been reported. In this sense, massive algal production might occur in the presence of bacteria, and microalgae-bacteria interactions can be beneficial to the massive production of microalgae and algal products. This manuscript reviews the recent knowledge on the impact of the microalgae-bacteria interactions on the production of microalgae and accumulation of valuable compounds, with an emphasis on algal species having application in aquaculture.

  15. Chemical interaction in resistors based on lead ruthenite with additions of niobium(5) oxide compounds

    International Nuclear Information System (INIS)

    Lozinskij, N.S.; Shevtsova, N.A.; Gruba, A.I.; Volkov, V.I.

    1986-01-01

    The method of X-ray phase analysis was used to study chemical interaction in isothermal cross-section of Pb 2 RU 2 O 6 -Nb 2 O 5 , Rbsub(2)Rusub(2)Osub(6)-NbWOsub(5.5) and Rb 2 Ru 2 O 6 -Pb 2 Nb 2 O 7 systems at 850 deg C as well as in models of real ruthenium resistors. Chemical interaction is stated to take place in systems with niobium (5) oxide and NbWOsub(5.5). Niobium (5) and tungsten (6) displace ruthenium (4) from its compounds with formation of their lead salts. Similar chemical interactions between current-carrying phase of the resistor and modifiers representing niobium-containing take place in models of components of the studied systems take place in models of resistors

  16. Interaction of active compounds from Aegle marmelos CORREA with histamine-1 receptor

    Science.gov (United States)

    Nugroho, Agung Endro; Agistia, Dany Dwi; Tegar, Maulana; Purnomo, Hari

    2013-01-01

    The aim of this study is to determine the affinity of six active compounds of Aegle Marmelos Correa, they are (E, R)-Marmin, skimmianine, (S)-aegeline, aurapten, zeorin, and dustanin as antihistamines in histamine H1 receptor in comparison to cetirizin, diphenhydramine and chlorpheniramine as ligands comparison. Previously, in the in vitro study marmin obviously antagonized the histamine H1 receptor in a competitive manner. Methods: molecular docking to determine the interaction of ligand binding to its receptor. Lower docking score indicates more stable binding to that protein. Results: Marmin, skimmianine, aegeline, aurapten, zeorin, and dustanin were potential to develop as antihistamine agents, especially as histamine H1 receptor antagonists by interacting with amino acid residues, Asp107, Lys179, Lys191, Asn198, and Trp428 of histamine H1 receptor. Conclusions: Based on molecular docking, Amino acid residues involved in ligand protein interactions were Asp107, Lys179, Lys191, Asn198, and Trp428. PMID:23750086

  17. Interactions between radionuclides and organic colloids. Structure and reactivity of humic compounds

    International Nuclear Information System (INIS)

    Plancque, G.

    2001-09-01

    Humic compounds are the main organic colloids present in natural waters. These compounds can significantly modify the speciation of metals and control their properties, like migration, toxicity or bio-availability. It is thus important to study their speciation in conditions representative to those encountered in the natural environment. The aim of this work is to analyze the reactivity of these humic compounds. Two spectroscopic techniques have been used: the time-resolution laser spectro-fluorimetry, limited to the study of fluorescent elements, and the electro-spray source mass spectroscopy which requires the development of specific protocols for all elements of the periodic classification system. Europium, a fluorescent element analogue to trivalent actinides, has been chosen as test-metal for the intercomparison of both spectroscopic techniques. The first technique has permitted to determine the inorganic and organic speciation (spectra and lifetime of europium hydroxides and carbonates, and constants of interaction with humic acids, respectively). The limitations of this technique in the study of inorganic speciation has been evidenced. Humic compounds have a badly defined structure. The use of high-resolution mass spectroscopy has permitted to propose in a direct and experimental way, a molecular structure of aquatic fulvic acids in agreement with their known physico-chemical properties. (J.S.)

  18. Simple model of stacking-fault energies

    DEFF Research Database (Denmark)

    Stokbro, Kurt; Jacobsen, Lærke Wedel

    1993-01-01

    A simple model for the energetics of stacking faults in fcc metals is constructed. The model contains third-nearest-neighbor pairwise interactions and a term involving the fourth moment of the electronic density of states. The model is in excellent agreement with recently published local-density ......A simple model for the energetics of stacking faults in fcc metals is constructed. The model contains third-nearest-neighbor pairwise interactions and a term involving the fourth moment of the electronic density of states. The model is in excellent agreement with recently published local...

  19. Thermodynamic clarification of interaction between antiseptic compounds and lipids consisting of stratum corneum

    International Nuclear Information System (INIS)

    Aki, Hatsumi; Kawasaki, Yuhsuke

    2004-01-01

    The interactions of antiseptic compounds with quaternary ammonium, such as benzalkonium chloride (BC), benzethonium chloride (BZC), dodecyldiaminoethyl-glycine hydrochloride (AEG), and chlorhexidine gluconate (CHG), with components of the stratum corneum were investigated by isothermal titration calorimetry at pH 7.5 and 25 deg. C. The different mechanisms for their permeation to stratum corneum were clarified. Cationic surfactants of BC and BZC bound to cholesterol and cholesterol sulfate with high affinity (10 5 -10 6 M -1 ) to extract endogenous cholesterol and its derivatives from the stratum corneum and penetrated via an intercellular route. CHG also bound to cholesterol and accumulated in the stratum corneum without removing endogenous cholesterol. On the other hand, an amphoteric surfactant of AEG seemed to be incorporated into the lipid bilayer and bound to ceramide with its polar end close to the lipid polar heads by hydrophobic interaction

  20. Thermodynamic clarification of interaction between antiseptic compounds and lipids consisting of stratum corneum

    Energy Technology Data Exchange (ETDEWEB)

    Aki, Hatsumi; Kawasaki, Yuhsuke

    2004-06-24

    The interactions of antiseptic compounds with quaternary ammonium, such as benzalkonium chloride (BC), benzethonium chloride (BZC), dodecyldiaminoethyl-glycine hydrochloride (AEG), and chlorhexidine gluconate (CHG), with components of the stratum corneum were investigated by isothermal titration calorimetry at pH 7.5 and 25 deg. C. The different mechanisms for their permeation to stratum corneum were clarified. Cationic surfactants of BC and BZC bound to cholesterol and cholesterol sulfate with high affinity (10{sup 5}-10{sup 6} M{sup -1}) to extract endogenous cholesterol and its derivatives from the stratum corneum and penetrated via an intercellular route. CHG also bound to cholesterol and accumulated in the stratum corneum without removing endogenous cholesterol. On the other hand, an amphoteric surfactant of AEG seemed to be incorporated into the lipid bilayer and bound to ceramide with its polar end close to the lipid polar heads by hydrophobic interaction.

  1. Whole plant extracts versus single compounds for the treatment of malaria: synergy and positive interactions

    Directory of Open Access Journals (Sweden)

    Wright Colin W

    2011-03-01

    Full Text Available Abstract Background In traditional medicine whole plants or mixtures of plants are used rather than isolated compounds. There is evidence that crude plant extracts often have greater in vitro or/and in vivo antiplasmodial activity than isolated constituents at an equivalent dose. The aim of this paper is to review positive interactions between components of whole plant extracts, which may explain this. Methods Narrative review. Results There is evidence for several different types of positive interactions between different components of medicinal plants used in the treatment of malaria. Pharmacodynamic synergy has been demonstrated between the Cinchona alkaloids and between various plant extracts traditionally combined. Pharmacokinetic interactions occur, for example between constituents of Artemisia annua tea so that its artemisinin is more rapidly absorbed than the pure drug. Some plant extracts may have an immunomodulatory effect as well as a direct antiplasmodial effect. Several extracts contain multidrug resistance inhibitors, although none of these has been tested clinically in malaria. Some plant constituents are added mainly to attenuate the side-effects of others, for example ginger to prevent nausea. Conclusions More clinical research is needed on all types of interaction between plant constituents. This could include clinical trials of combinations of pure compounds (such as artemisinin + curcumin + piperine and of combinations of herbal remedies (such as Artemisia annua leaves + Curcuma longa root + Piper nigum seeds. The former may enhance the activity of existing pharmaceutical preparations, and the latter may improve the effectiveness of existing herbal remedies for use in remote areas where modern drugs are unavailable.

  2. Stack filter classifiers

    Energy Technology Data Exchange (ETDEWEB)

    Porter, Reid B [Los Alamos National Laboratory; Hush, Don [Los Alamos National Laboratory

    2009-01-01

    Just as linear models generalize the sample mean and weighted average, weighted order statistic models generalize the sample median and weighted median. This analogy can be continued informally to generalized additive modeels in the case of the mean, and Stack Filters in the case of the median. Both of these model classes have been extensively studied for signal and image processing but it is surprising to find that for pattern classification, their treatment has been significantly one sided. Generalized additive models are now a major tool in pattern classification and many different learning algorithms have been developed to fit model parameters to finite data. However Stack Filters remain largely confined to signal and image processing and learning algorithms for classification are yet to be seen. This paper is a step towards Stack Filter Classifiers and it shows that the approach is interesting from both a theoretical and a practical perspective.

  3. Interaction of antibacterial compounds with RND efflux pumps in Pseudomonas aeruginosa

    Science.gov (United States)

    Dreier, Jürg; Ruggerone, Paolo

    2015-01-01

    Pseudomonas aeruginosa infections are becoming increasingly difficult to treat due to intrinsic antibiotic resistance and the propensity of this pathogen to accumulate diverse resistance mechanisms. Hyperexpression of efflux pumps of the Resistance-Nodulation-Cell Division (RND)-type multidrug efflux pumps (e.g., MexAB-OprM), chromosomally encoded by mexAB-oprM, mexCD-oprJ, mexEF-oprN, and mexXY (-oprA) is often detected in clinical isolates and contributes to worrying multi-drug resistance phenotypes. Not all antibiotics are affected to the same extent by the aforementioned RND efflux pumps. The impact of efflux on antibiotic activity varies not only between different classes of antibiotics but also between members of the same family of antibiotics. Subtle differences in physicochemical features of compound-pump and compound-solvent interactions largely determine how compounds are affected by efflux activity. The combination of different high-resolution techniques helps to gain insight into the functioning of these molecular machineries. This review discusses substrate recognition patterns based on experimental evidence and computer simulations with a focus on MexB, the pump subunit of the main RND transporter in P. aeruginosa. PMID:26217310

  4. Interaction of antibacterial compounds with RND efflux pumps in Pseudomonas aeruginosa

    Directory of Open Access Journals (Sweden)

    Juerg eDreier

    2015-07-01

    Full Text Available Pseudomonas aeruginosa infections are becoming increasingly difficult to treat due to intrinsic antibiotic resistance and the propensity of this pathogen to accumulate diverse resistance mechanisms. Hyperexpression of efflux pumps of the Resistance-Nodulation-Division-type multidrug efflux pumps (e.g. MexAB-OprM, chromosomally encoded by mexAB-oprM, mexCD-oprJ, mexEF-oprN, and mexXY (-oprA is often detected in clinical isolates and contributes to worrying multi-drug resistance phenotypes.Not all antibiotics are affected to the same extent by the aforementioned RND efflux pumps. The impact of efflux on antibiotic activity varies not only between different classes of antibiotics but also between members of the same family of antibiotics. Subtle differences in physicochemical features of compound-pump and compound-solvent interactions largely determine how compounds are affected by efflux activity.The combination of different high-resolution techniques helps to gain insight into the functioning of these molecular machineries. This review discusses substrate recognition patterns based on experimental evidence and computer simulations with a focus on MexB, the pump subunit of the main RND transporter in P. aeruginosa.

  5. The Study of Interactions between Active Compounds of Coffee and Willow (Salix sp. Bark Water Extract

    Directory of Open Access Journals (Sweden)

    Agata Durak

    2014-01-01

    Full Text Available Coffee and willow are known as valuable sources of biologically active phytochemicals such as chlorogenic acid, caffeine, and salicin. The aim of the study was to determine the interactions between the active compounds contained in water extracts from coffee and bark of willow (Salix purpurea and Salix myrsinifolia. Raw materials and their mixtures were characterized by multidirectional antioxidant activities; however, bioactive constituents interacted with each other. Synergism was observed for ability of inhibition of lipid peroxidation and reducing power, whereas compounds able to scavenge ABTS radical cation acted antagonistically. Additionally, phytochemicals from willow bark possessed hydrophilic character and thermostability which justifies their potential use as an ingredient in coffee beverages. Proposed mixtures may be used in the prophylaxis or treatment of some civilization diseases linked with oxidative stress. Most importantly, strong synergism observed for phytochemicals able to prevent lipids against oxidation may suggest protective effect for cell membrane phospholipids. Obtained results indicate that extracts from bark tested Salix genotypes as an ingredient in coffee beverages can provide health promoting benefits to the consumers; however, this issue requires further study.

  6. Identification and effects of interaction phytotoxic compounds from exudate of Cistus ladanifer leaves.

    Science.gov (United States)

    Chaves, N; Sosa, T; Alías, J C; Escudero, J C

    2001-03-01

    Eleven allelochemicals (ferulic acid, cinnamic acid, 4-hydroxybenzoic acid, hydroxycinnamic acid, methyl propionate, oxalic acid, methylmalonic acid, p-anisic acid, butyric acid, 3-hydroxybutyric acid, and azulene) were identified in the exudate of Cistus ladanifer L. We studied the effect of each on germination, cotyledon emergence, root length, and cotyledon length of Rumex crispus. Three groups were distinguished with respect to phytotoxic activity: compounds with low activity (ferulic acid, 4-hydroxybenzoic acid, oxalic acid, methylmalonic acid, p-anisic acid, hydroxybutyric acid, and azulene), with intermediate activity (cinnamic acid and hydroxycinnamic acid), and with high activity (methyl propionate and butyric acid). The effect of the interaction of the compounds was studied. When acting conjointly, all combinations tested produced a more negative effect on both germination and seedling growth than when acting alone. The interaction affected cotyledon emergence and root length more negatively than germination and cotyledon length. When hydroxycinnamic acid and cinnamic acid were added to these mixtures there was an enhancement in the phytotoxic activity, accentuating the effect of the other allelochemicals.

  7. On Stack Reconstruction Problem

    Directory of Open Access Journals (Sweden)

    V. D. Аkeliev

    2009-01-01

    Full Text Available The paper describes analytical investigations that study relation of fuel combustion regimes with concentration values of sulphur anhydride in flue gases and acid dew point. Coefficients of convective heat transfer at internal and external surfaces of stacks have been determined in the paper. The paper reveals the possibility to reconstruct stacks while using gas discharging channel made of composite material on the basis of glass-reinforced plastic which permits to reduce thermo-stressed actions on reinforced concrete and increase volume of released gases due to practically two-fold reduction of gas-dynamic pressure losses along the pipe length.

  8. Laser pulse stacking method

    Science.gov (United States)

    Moses, E.I.

    1992-12-01

    A laser pulse stacking method is disclosed. A problem with the prior art has been the generation of a series of laser beam pulses where the outer and inner regions of the beams are generated so as to form radially non-synchronous pulses. Such pulses thus have a non-uniform cross-sectional area with respect to the outer and inner edges of the pulses. The present invention provides a solution by combining the temporally non-uniform pulses in a stacking effect to thus provide a more uniform temporal synchronism over the beam diameter. 2 figs.

  9. Desalting of phosphopeptides by tandem polypyrrole-c18 reverse phase micropipette tip (TMTip{sub PPY-C18}) based on hybrid electrostatic, {Pi}-{Pi} stacking and hydrophobic interactions for mass spectrometric analysis

    Energy Technology Data Exchange (ETDEWEB)

    Zheng Shi; Wang Xiaoli; Fu Jieying; Hu Xuejiao; Xiao Xiao; Huang Lulu; Zhou Youe [Key Laboratory of Pesticides and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan, Hubei 430079 (China); Zhong Hongying, E-mail: hyzhong@mail.ccnu.edu.cn [Key Laboratory of Pesticides and Chemical Biology, Ministry of Education, College of Chemistry, Central China Normal University, Wuhan, Hubei 430079 (China)

    2012-04-29

    Highlights: Black-Right-Pointing-Pointer A new micropipette tip TMTip{sub PPY-C18} was developed for desalting of phosphopeptides. Black-Right-Pointing-Pointer TMTip{sub PPY-C18} is based on polypyrrole in tandem with C18 chromatographic material. Black-Right-Pointing-Pointer TMTip{sub PPY-C18} combines electrostatic, {Pi}-{Pi} stacking and hydrophobic interactions. Black-Right-Pointing-Pointer TMTip{sub PPY-C18} can be used in both acidic and basic experimental conditions. - Abstract: Desalting and concentration of peptides using reverse phase (RP) C18 chromatographic material based on hydrophobic interaction is a routine approach used in mass spectrometry (MS)-based proteomics. However, MS detection of small hydrophilic peptides, in particular, phosphopeptides that bear multiple negative charges, is challenging due to the insufficient binding to C18 stationary phase. We described here the development of a new desalting method that takes the unique properties of polypyrrole (PPY). The presence of positively charged nitrogen atoms under acidic conditions and polyunsaturated bonds in polypyrrole provide a prospect for enhanced adsorption of phosphopeptides or hydrophilic peptides through extra electrostatic and {Pi}-{Pi} stacking interactions in addition to hydrophobic interactions. In tandem with reversed phase C18 chromatographic material, the new type of desalting method termed as TMTip{sub PPY-C18} can significantly improve the MS detection of phosphopeptides with multiple phosphate groups and other small hydrophilic peptides. It has been applied to not only tryptic digest of model proteins but also the analysis of complex lysates of zebrafish eggs. The number of detected phosphate groups on a peptide ranged from 1 to 6. Particularly, polypyrrole based method can also be used in basic condition. Thus it provides a useful means to handle peptides that may not be detectable in acidic condition. It can be envisioned that the TMTip{sub PPY-C18} should be able to

  10. Study of the interactions between uranium and organic compounds in the hydrothermal systems

    International Nuclear Information System (INIS)

    Salze, David

    2008-01-01

    Formers studies on the relations between organic matter and uranium have shown that these interactions go since the complexation and the transport of uranium in organics fluids until its reduction by the organic matter leading to the uranium-bearing mineral precipitation. An experimental study of these reactions to 200 deg. C and 500 bars between experimental compounds (pure organic compounds) such as the n-alkanes (n-pentane, n-hexane, n-heptane, n-octane, n-nonane, n-decane, n-dodecane, n-tetradecane and n-hexadecane), an n-alkene hydrocarbon (n-dec-1-ene), cycles (butyl-cyclohexane and cyclo-hexane) and the aromatic ones (butyl-benzene and naphthalene), and hexavalent uranium oxides was undertaken. These experiments allowed to show a progressive oxidation of n-alkanes starting from made up C6. The increasing size of the aliphatic chains and the increase in the time of setting in interaction are major factors of the increase in the environment oxidizing capacity in interaction with uranium on the organic compound. The determination of the oxidation step of uranium oxides after experiment made it possible to determine that in aqueous environment the aliphatic model compounds are reducers more powerful than the aromatic compounds. An organic matter from lake or marine origin generally has an aliphatic fraction larger than the organic matter of continental origin and thus will be more likely to reduce uranium. A natural example, the uranium deposits in the sandstones from Arlit, the tectono-lithologic type, was selected in order to apply the results obtained in the experimental part. They are located in fluviatile sandstones rich in organic matter of continental origin (type III) deposited in the paleo-channels. Former authors considered that only this organic matter of type III was responsible for the reduction of U (VI) in U (IV). Work which was undertaken in the present study shows that migrated oils of probable marine origin strongly contributed to the genesis

  11. po_stack_movie

    DEFF Research Database (Denmark)

    2009-01-01

    po_stack® er et reolsystem, hvis enkle elementer giver stor flexibilitet, variation og skulpturel virkning. Elementerne stables og forskydes frit, så reolens rum kan vendes til begge sider, være åbne eller lukkede og farvekombineres ubegrænset. Reolen kan let ombygges, udvides eller opdeles, når ...

  12. Learning SaltStack

    CERN Document Server

    Myers, Colton

    2015-01-01

    If you are a system administrator who manages multiple servers, then you know how difficult it is to keep your infrastructure in line. If you've been searching for an easier way, this book is for you. No prior experience with SaltStack is required.

  13. Stacking faults in a layered cobalt tellurium phosphate oxochloride

    Science.gov (United States)

    Zimmermann, Iwan; Johnsson, Mats

    2015-02-01

    The new compound Co2Te3(PO4)O6Cl was synthesized by chemical reactions in a sealed and evacuated silica tube. The crystal structure was solved from single crystal diffraction data and is made up by charge neutral layers. Within the layers two types of chains are made up by edge sharing [CoO6] and [CoO5Cl] polyhedra respectively. The chains are separated by tellurium oxide and phosphate building blocks. There are only weak Van der Waals interactions in between the layers and severe diffuse scattering is observed due to faulted stacking of the layers. Structure solutions in a P-1 triclinic cell and a larger monoclinic cell in P21/c are discussed and compared to a computer generated model. The reasons for the stacking faults may be due to that there are two positions available for each layer that results in similar connectivity to the next layer in addition to the relatively wide channels in between the layers that reduce the Van der Waals interactions in between them.

  14. Establishing the importance of oil-membrane interactions on the transmembrane diffusion of physicochemically diverse compounds.

    Science.gov (United States)

    Najib, Omaima N; Martin, Gary P; Kirton, Stewart B; Sallam, Al-Sayed; Murnane, Darragh

    2016-06-15

    The diffusion process through a non-porous barrier membrane depends on the properties of the drug, vehicle and membrane. The aim of the current study was to investigate whether a series of oily vehicles might have the potential to interact to varying degrees with synthetic membranes and to determine whether any such interaction might affect the permeation of co-formulated permeants: methylparaben (MP); butylparaben (BP) or caffeine (CF). The oils (isopropyl myristate (IPM), isohexadecane (IHD), hexadecane (HD), oleic acid (OA) and liquid paraffin (LP)) and membranes (silicone, high density polyethylene and polyurethane) employed in the study were selected such that they displayed a range of different structural, and physicochemical properties. Diffusion studies showed that many of the vehicles were not inert and did interact with the membranes resulting in a modification of the permeants' flux when corrected for membrane thickness (e.g. normalized flux of MP increased from 1.25±0.13μgcm(-1)h(-1) in LP to 17.94±0.25μgcm(-1)h(-1)in IPM). The oils were sorbed differently to membranes (range of weight gain: 2.2±0.2% for polyurethane with LP to 105.6±1.1% for silicone with IHD). Membrane interaction was apparently dependent upon the physicochemical properties including; size, shape, flexibility and the Hansen solubility parameter values of both the membranes and oils. Sorbed oils resulted in modified permeant diffusion through the membranes. No simple correlation was found to exist between the Hansen solubility parameters of the oils or swelling of the membrane and the normalized fluxes of the three compounds investigated. More sophisticated modelling would appear to be required to delineate and quantify the key molecular parameters of membrane, permeant and vehicle compatibility and their interactions of relevance to membrane permeation. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. New organoselenium compounds with intramolecular Se⋯O/ Se⋯H interactions: NMR and theoretical studies

    Science.gov (United States)

    Fragoso, Erick; Azpiroz, Ramón; Sharma, Pankaj; Espinosa-Pérez, Georgina; Lara-Ochoa, Francisco; Toscano, Alfredo; Gutierrez, Rene; Portillo, Oscar

    2018-03-01

    New 1,3-bis(phenylselanylmethyl)benzene (1, 2 and 4) and butyl phenylselane derivatives (3 and 5) are synthesized and full heteronuclear NMR characterization of these compounds are reported. Interestingly, NMR spectrum of compounds 2-5 show coupling of 1H and 13C signals of groups involved in intramolecular nonbonding interactions with 77Se. The coupling constants JH-Se and JC-Se are in the range 13.6-21.6 Hz and 28-49 Hz, respectively. For compounds 4 and 5, JH-Se coupling constants of formyl proton are smaller than their respective acetal sbnd CH protons for compounds 2 and 3. However, this trend is opposite for JC-Se coupling constants, indicating that in formyl group containing compounds 4 and 5, Se⋯O interactions are present while in compounds 2 and 3 with acetal fragments, Se⋯H interactions also could be present because of steric constraints. To confirm these interactions, quantum chemical analyses were performed for 2, 4 and 5. The minimal energy conformation for these compounds present Se⋯O/Se⋯H interactions and are at lower energy in comparison to different conformers which do not show any interaction. For compounds 4 and 5, minimal energy conformation present Se⋯O interactions and for compound 2, Se⋯H is the favored conformation. These results are in accordance with the NMR data for these compounds. X-ray crystal structure of compound 1,3-bis(phenylselanylmethyl)benzene (1) was also determined during this work. In order to understand the effect of the Se⋯O/Se⋯H interactions and the position of phenylselanylmethyl groups, quantum chemical analyses were also carried out for 1,4-bis(phenylselanylmethyl)benzene derivatives (6 and 7). Interestingly, minimal energy conformers of 1,3-bis(phenylselanylmethyl)benzene derivatives 2 and 4 are more stable than their corresponding conformers of 1,4-bis-(phenylselanylmethyl)benzene derivatives 6 and 7.1,3-bis[{(2-(diethoxymethyl)phenyl)selanyl}methyl]benzene (2) with an

  16. Analysis of thermoluminescence kinetics of Mg2SiO4:Tb compounds employing an interactive model

    International Nuclear Information System (INIS)

    Marcazzo, J.; Prokic, M.; Santiago, M.; Molina, P.; Caselli, E.

    2009-01-01

    The kinetics involved in the thermoluminescence (TL) of Mg 2 SiO 4 :Tb compounds has been investigated by unfolding glow curves employing both the General Order model and a model that takes into account interactions among traps. The dependence of the glow curve shape on dose is only correctly described if interaction among traps is included in the analysis.

  17. Development of Monopole Interaction Models for Ionic Compounds. Part I: Estimation of Aqueous Henry's Law Constants for Ions and Gas Phase pKa Values for Acidic Compounds.

    Science.gov (United States)

    Hilal, S H; Saravanaraj, A N; Carreira, L A

    2014-02-01

    The SPARC (SPARC Performs Automated Reasoning in Chemistry) physicochemical mechanistic models for neutral compounds have been extended to estimate Henry's Law Constant (HLC) for charged species by incorporating ionic electrostatic interaction models. Combinations of absolute aqueous pKa values, relative pKa values in the gas phase, and aqueous HLC for neutral compounds have been used to develop monopole interaction models that quantify the energy differences upon moving an ionic solute molecule from the gas phase to the liquid phase. Inter-molecular interaction energies were factored into mechanistic contributions of monopoles with polarizability, dipole, H-bonding, and resonance. The monopole ionic models were validated by a wide range of measured gas phase pKa data for 450 acidic compounds. The RMS deviation error and R(2) for the OH, SH, CO2 H, CH3 and NR2 acidic reaction centers (C) were 16.9 kcal/mol and 0.87, respectively. The calculated HLCs of ions were compared to the HLCs of 142 ions calculated by quantum mechanics. Effects of inter-molecular interaction of the monopoles with polarizability, dipole, H-bonding, and resonance on acidity of the solutes in the gas phase are discussed. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Interaction of some thorium aquAatetraacido-compounds with gaseous nitrogen oxide

    International Nuclear Information System (INIS)

    Molodkin, A.K.; Ivanova, O.M.; Goeva, L.V.; Balakaeva, T.A.; Belyakova, Z.V.; Chaplya, T.A.

    1980-01-01

    Interaction of various thorium salts Th(OH) 4 xnH 2 O, ThCl 4 xnH 2 O and Th(NO 3 ) 4 xnH 2 O with gaseous nitrogen oxide has been studied, and a method for synthesizing nitrosyl thorium complexes has been developed. Nitrosation of thorium salts has been performed in various solvents (water, C 2 H 5 OH, CCl 4 , C 6 H 5 , CHCl 3 ) at different salt concentrations and with different duration of the nitrosation process. Concentration of the starting solution constitutes 5g in 100 ml of solution, nitrosation duration is 14-28 hours. Based on the data of infrared spectroscopy, the composition of compounds which form as a result of nitrosation is discussed. The thorium complexes formed have NO 3 - , NO - and N 2 O 2 -groups as ligands [ru

  19. Micro-analytical study of interactions between oil and lead compounds in paintings

    International Nuclear Information System (INIS)

    Cotte, M.; Checroun, E.; Susini, J.; Walter, P.

    2007-01-01

    Oil paintings are complex hybrid materials, made of organic binders associated with inorganic minerals, susceptible to evolving over centuries. In particular, interactions of oil with lead compounds may give rise to the formation of lead soap aggregates, so-called protrusions. This phenomenon is studied here via X-ray and FTIR micro-analysis of an ancient painting dated from 1610. In complement, the synthesis of modern preparations, reconstructed from ancient recipes was assessed. Molecular and atomic images are obtained by combining synchrotron-based FTIR and X-ray fluorescence microscopies. Protrusions are identified in both ancient and modern samples, more particularly, in the ground layer of the paintings, below the colored layer. These observations imply that lead oxide, introduced as a siccative and not as a pigment, may be the element mainly responsible for the protrusions formation, and that this degradation may appear very rapidly on paintings. (orig.)

  20. Solar-wind interactions with the moon - Nature and composition of nitrogen compounds

    Science.gov (United States)

    Mukherjee, N. R.

    1981-01-01

    The direct interaction of the solar wind with the lunar surface results in a complete absorption of the solar wind corpuscles by the lunar surface material, with no upstream bow-shock but a cavity downstream from the lunar body. The active N ions and atoms derived from the solar wind were considered in the calculation of the radicals and compounds of nitrogen in the lunar material atmosphere, where the main species escaping from the surface to the atmosphere are NO and NH3 with near-surface concentrations of 327 and 295/cu cm, respectively. While the calculated concentration of NH3 seems consistent with the sunrise concentration results of the mass spectrometer implanted on the lunar surface, there has been no report of NO detection.

  1. Competition between intermolecular interaction and configuration entropy as the structure-determining factor for inclusion compounds

    Energy Technology Data Exchange (ETDEWEB)

    Subbotin, O.; Belosludov, V.; Adamova, T. [Russian Academy of Science, Novosibirsk (Russian Federation). Nikolaev Inst. of Inorganic Chemistry; Belosludov, R.; Kawazoe, Y. [Tohoku Univ., Aoba-ku, Sendai (Japan). Inst. for Materials Research; Kudoh, J.I. [Tohoku Univ., Aoba-ku, Sendai (Japan). Center for Northeast Asia Studies

    2008-07-01

    This paper presented a newly developed method to accurately predict the thermodynamic properties of clathrate hydrates, particularly their structural phase transitions under pressure. The method is based on the theory of Van-der-Waals and Platteeuw with some modifications that include the influence of guest molecules on the host lattice. The model was used to explain the exception from the established rule that small guest molecules form structure s1 and large molecules form structure s2 hydrates. In this study, the thermodynamic properties of argon (Ar) hydrate and methane hydrate, each in both cubic structure s1 and s2 were modelled. The model showed that two competing factors play a role in the formation of inclusions, notably the intermolecular interaction of guest molecules with water molecules, and the configuration entropy. Competition of these 2 factors determines the structure of hydrate formed at different pressures. The model provides an accurate description of the thermodynamic properties of gas hydrates and how they behave under pressure. For the argon hydrates, the structural phase transition from structure s2 to s1 at high pressure was predicted, while methane hydrates were predicted to be metastable in the s2 structure. The model can be used for other inclusion compounds with the same type of composition such as clathrate silicon, zeolites, and inclusion compounds of semiconductor elements. 17 refs., 5 figs.

  2. Investigation of antioxidant interactions between Radix Astragali and Cimicifuga foetida and identification of synergistic antioxidant compounds.

    Directory of Open Access Journals (Sweden)

    Fei Wang

    Full Text Available The medicinal plants of Huang-qi (Radix Astragali and Sheng-ma (Cimicifuga foetida demonstrate significantly better antioxidant effects when used in combination than when used alone. However, the bioactive components and interactional mechanism underlying this synergistic action are still not well understood. In the present study, 2,2-diphenyl-1-picrylhydrazyl (DPPH radical scavenging assay was employed to investigate the antioxidant capacity of single herbs and their combination with the purpose of screening synergistic antioxidant compounds from them. Chromatographic isolation was performed on silica gel, Sephadex LH-20 columns and HPLC, and consequently to yield formononetin, calycosin, ferulic acid and isoferulic acid, which were identified by their retention time, UV λmax, MS and MS/MS data. The combination of isoferulic acid and calycosin at a dose ratio of 1∶1 resulted in significant synergy in scavenging DPPH radicals and ferric reducing antioxidant power (FRAP assay. Furthermore, the protective effects of these four potential synergistic compounds were examined using H2O2-induced HepG2 Cells bioassay. Results revealed that the similar synergy was observed in the combination of isoferulic acid and calycosin. These findings might provide some theoretical basis for the purported synergistic efficiency of Huang-qi and Sheng-ma as functional foods, dietary supplements and medicinal drugs.

  3. Investigation of antioxidant interactions between Radix Astragali and Cimicifuga foetida and identification of synergistic antioxidant compounds.

    Science.gov (United States)

    Wang, Fei; Zhao, Shancang; Li, Feng; Zhang, Bo; Qu, Yi; Sun, Tianlei; Luo, Ting; Li, Dapeng

    2014-01-01

    The medicinal plants of Huang-qi (Radix Astragali) and Sheng-ma (Cimicifuga foetida) demonstrate significantly better antioxidant effects when used in combination than when used alone. However, the bioactive components and interactional mechanism underlying this synergistic action are still not well understood. In the present study, 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical scavenging assay was employed to investigate the antioxidant capacity of single herbs and their combination with the purpose of screening synergistic antioxidant compounds from them. Chromatographic isolation was performed on silica gel, Sephadex LH-20 columns and HPLC, and consequently to yield formononetin, calycosin, ferulic acid and isoferulic acid, which were identified by their retention time, UV λmax, MS and MS/MS data. The combination of isoferulic acid and calycosin at a dose ratio of 1∶1 resulted in significant synergy in scavenging DPPH radicals and ferric reducing antioxidant power (FRAP) assay. Furthermore, the protective effects of these four potential synergistic compounds were examined using H2O2-induced HepG2 Cells bioassay. Results revealed that the similar synergy was observed in the combination of isoferulic acid and calycosin. These findings might provide some theoretical basis for the purported synergistic efficiency of Huang-qi and Sheng-ma as functional foods, dietary supplements and medicinal drugs.

  4. A comparative study of SMILES-based compound similarity functions for drug-target interaction prediction.

    Science.gov (United States)

    Öztürk, Hakime; Ozkirimli, Elif; Özgür, Arzucan

    2016-03-18

    Molecular structures can be represented as strings of special characters using SMILES. Since each molecule is represented as a string, the similarity between compounds can be computed using SMILES-based string similarity functions. Most previous studies on drug-target interaction prediction use 2D-based compound similarity kernels such as SIMCOMP. To the best of our knowledge, using SMILES-based similarity functions, which are computationally more efficient than the 2D-based kernels, has not been investigated for this task before. In this study, we adapt and evaluate various SMILES-based similarity methods for drug-target interaction prediction. In addition, inspired by the vector space model of Information Retrieval we propose cosine similarity based SMILES kernels that make use of the Term Frequency (TF) and Term Frequency-Inverse Document Frequency (TF-IDF) weighting approaches. We also investigate generating composite kernels by combining our best SMILES-based similarity functions with the SIMCOMP kernel. With this study, we provided a comparison of 13 different ligand similarity functions, each of which utilizes the SMILES string of molecule representation. Additionally, TF and TF-IDF based cosine similarity kernels are proposed. The more efficient SMILES-based similarity functions performed similarly to the more complex 2D-based SIMCOMP kernel in terms of AUC-ROC scores. The TF-IDF based cosine similarity obtained a better AUC-PR score than the SIMCOMP kernel on the GPCR benchmark data set. The composite kernel of TF-IDF based cosine similarity and SIMCOMP achieved the best AUC-PR scores for all data sets.

  5. Insights into head-column field-amplified sample stacking: Part II. Study of the behavior of the electrophoretic system after electrokinetic injection of cationic compounds across a short water plug

    Czech Academy of Sciences Publication Activity Database

    Šesták, Jozef; Thormann, W.

    2017-01-01

    Roč. 1512, AUG (2017), s. 124-132 ISSN 0021-9673 Institutional support: RVO:68081715 Keywords : head- column field-amplified sample stacking * capillary electrophoresis * water plug Subject RIV: CB - Analytical Chemistry, Separation OBOR OECD: Analytical chemistry Impact factor: 3.981, year: 2016

  6. Energy Expenditure of Sport Stacking

    Science.gov (United States)

    Murray, Steven R.; Udermann, Brian E.; Reineke, David M.; Battista, Rebecca A.

    2009-01-01

    Sport stacking is an activity taught in many physical education programs. The activity, although very popular, has been studied minimally, and the energy expenditure for sport stacking is unknown. Therefore, the purposes of this study were to determine the energy expenditure of sport stacking in elementary school children and to compare that value…

  7. OpenStack cloud security

    CERN Document Server

    Locati, Fabio Alessandro

    2015-01-01

    If you are an OpenStack administrator or developer, or wish to build solutions to protect your OpenStack environment, then this book is for you. Experience of Linux administration and familiarity with different OpenStack components is assumed.

  8. Structure and Hyperfine Interactions in Aurivillius Bi9Ti3Fe5O27 Conventionally Sintered Compound

    International Nuclear Information System (INIS)

    Mazurek, M.; Lisinska-Czekaj, A.; Surowiec, Z.; Jartych, E.; Czekaj, D.

    2011-01-01

    The structure and hyperfine interactions in the Bi 9 Ti 3 Fe 5 O 27 Aurivillius compound were studied using X-ray diffraction and Moessbauer spectroscopy. Samples were prepared by the conventional solid-state sintering method at various temperatures. An X-ray diffraction analysis proved that the sintered compounds formed single phases at temperature above 993 K. Moessbauer measurements have been carried out at room and liquid nitrogen temperatures. Room-temperature Moessbauer spectrum of the Bi 9 Ti 3 Fe 5 O 27 compound confirmed its paramagnetic properties. However, low temperature measurements revealed the additional paramagnetic phase besides the antiferromagnetic one. (authors)

  9. Stack Caching Using Split Data Caches

    DEFF Research Database (Denmark)

    Nielsen, Carsten; Schoeberl, Martin

    2015-01-01

    In most embedded and general purpose architectures, stack data and non-stack data is cached together, meaning that writing to or loading from the stack may expel non-stack data from the data cache. Manipulation of the stack has a different memory access pattern than that of non-stack data, showing...... higher temporal and spatial locality. We propose caching stack and non-stack data separately and develop four different stack caches that allow this separation without requiring compiler support. These are the simple, window, and prefilling with and without tag stack caches. The performance of the stack...

  10. Stacking faults and phase transformations in silicon nitride

    Science.gov (United States)

    Milhet, X.; Demenet, J.-L.; Rabier, J.

    1998-11-01

    From observations of extended dislocation nodes in β silicon nitride, possible stacking fault structures in the basal plane of this compound have been investigated. It has been found that stacking fault structure is locally analogous to α silicon nitride. A phase transformation α to β or β to α can also be achieved by cooperative shear of partial dislocations with 1/3<~ngle1bar{1}00rangle Burgers vectors.

  11. Desalting of phosphopeptides by tandem polypyrrole-c18 reverse phase micropipette tip (TMTip(PPY-C18)) based on hybrid electrostatic, Π-Π stacking and hydrophobic interactions for mass spectrometric analysis.

    Science.gov (United States)

    Zheng, Shi; Wang, Xiaoli; Fu, Jieying; Hu, Xuejiao; Xiao, Xiao; Huang, Lulu; Zhou, Youe; Zhong, Hongying

    2012-04-29

    Desalting and concentration of peptides using reverse phase (RP) C18 chromatographic material based on hydrophobic interaction is a routine approach used in mass spectrometry (MS)-based proteomics. However, MS detection of small hydrophilic peptides, in particular, phosphopeptides that bear multiple negative charges, is challenging due to the insufficient binding to C18 stationary phase. We described here the development of a new desalting method that takes the unique properties of polypyrrole (PPY). The presence of positively charged nitrogen atoms under acidic conditions and polyunsaturated bonds in polypyrrole provide a prospect for enhanced adsorption of phosphopeptides or hydrophilic peptides through extra electrostatic and Π-Π stacking interactions in addition to hydrophobic interactions. In tandem with reversed phase C18 chromatographic material, the new type of desalting method termed as TMTip(PPY-C18) can significantly improve the MS detection of phosphopeptides with multiple phosphate groups and other small hydrophilic peptides. It has been applied to not only tryptic digest of model proteins but also the analysis of complex lysates of zebrafish eggs. The number of detected phosphate groups on a peptide ranged from 1 to 6. Particularly, polypyrrole based method can also be used in basic condition. Thus it provides a useful means to handle peptides that may not be detectable in acidic condition. It can be envisioned that the TMTip(PPY-C18) should be able to facilitate the exploration of large scale phosphoproteome. Copyright © 2012 Elsevier B.V. All rights reserved.

  12. Effect of Structure on the Interactions between Five Natural Antimicrobial Compounds and Phospholipids of Bacterial Cell Membrane on Model Monolayers

    Directory of Open Access Journals (Sweden)

    Stella W. Nowotarska

    2014-06-01

    Full Text Available Monolayers composed of bacterial phospholipids were used as model membranes to study interactions of the naturally occurring phenolic compounds 2,5-dihydroxybenzaldehyde and 2-hydroxy-5-methoxybenzaldehyde, and the plant essential oil compounds carvacrol, cinnamaldehyde, and geraniol, previously found to be active against both Gram-positive and Gram-negative pathogenic microorganisms. The lipid monolayers consist of 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine (DPPE, 1,2-dihexa- decanoyl-sn-glycero-3-phospho-(1'-rac-glycerol (DPPG, and 1,1',2,2'-tetratetradecanoyl cardiolipin (cardiolipin. Surface pressure–area (π-A and surface potential–area (Δψ-A isotherms were measured to monitor changes in the thermodynamic and physical properties of the lipid monolayers. Results of the study indicated that the five compounds modified the three lipid monolayer structures by integrating into the monolayer, forming aggregates of antimicrobial –lipid complexes, reducing the packing effectiveness of the lipids, increasing the membrane fluidity, and altering the total dipole moment in the monolayer membrane model. The interactions of the five antimicrobial compounds with bacterial phospholipids depended on both the structure of the antimicrobials and the composition of the monolayers. The observed experimental results provide insight into the mechanism of the molecular interactions between naturally-occurring antimicrobial compounds and phospholipids of the bacterial cell membrane that govern activities.

  13. Passive stack ventilation

    Energy Technology Data Exchange (ETDEWEB)

    Palmer, J.; Parkins, L.; Shaw, P.; Watkins, R. [Databuild, Birmingham (United Kingdom)

    1994-12-31

    The adequate ventilation of houses is essential for both the occupants and the building fabric. As air-tightness standards increase, background infiltration levels decrease and extra ventilation has to be designed into the building. Passive stack ventilation has many advantages - particularly when employed in low cost housing schemes -but it is essential that it performs satisfactorily. This paper give the results from monitoring two passive stack ventilation schemes. One scheme was a retrofit into refurbished local authority houses in which a package of energy efficiency measures had been taken and condensation had been a problem. The other series of tests were conducted on a new installation in a Housing Association development. Nine houses were monitored each of which had at least two passive vents. The results show air flow rates by the passive ducts equivalent to approximately 1 room air change per hour. The air flow in the ducts was influenced by both, internal to external temperature difference and wind speed and direction. (author)

  14. Asymmetric Flexible Supercapacitor Stack

    Directory of Open Access Journals (Sweden)

    Leela Mohana Reddy A

    2008-01-01

    Full Text Available AbstractElectrical double layer supercapacitor is very significant in the field of electrical energy storage which can be the solution for the current revolution in the electronic devices like mobile phones, camera flashes which needs flexible and miniaturized energy storage device with all non-aqueous components. The multiwalled carbon nanotubes (MWNTs have been synthesized by catalytic chemical vapor deposition technique over hydrogen decrepitated Mischmetal (Mm based AB3alloy hydride. The polymer dispersed MWNTs have been obtained by insitu polymerization and the metal oxide/MWNTs were synthesized by sol-gel method. Morphological characterizations of polymer dispersed MWNTs have been carried out using scanning electron microscopy (SEM, transmission electron microscopy (TEM and HRTEM. An assymetric double supercapacitor stack has been fabricated using polymer/MWNTs and metal oxide/MWNTs coated over flexible carbon fabric as electrodes and nafion®membrane as a solid electrolyte. Electrochemical performance of the supercapacitor stack has been investigated using cyclic voltammetry, galvanostatic charge-discharge, and electrochemical impedance spectroscopy.

  15. New property of organometallic compounds-redox-chemiluminescence during interaction with XeF2 and O2 in solution

    International Nuclear Information System (INIS)

    Bulgakov, R.G.; Majsterenko, G.Ya.; Yakovlev, V.N.; Kuleshov, S.P.; Tolstikov, G.A.; Kazakov, V.P.

    1985-01-01

    Interaction of organometallic compounds of the 1-8th group metals of the periodic system, including Sm, U, Mo, with XeF 2 and O 2 is studied. Chemiluminescence (CL) appearing during oxidation has been registered by a photoelectric multiplier. Absolute luminescence intensities are estimated by brightness standard. It is shown that during oxidation of practically all organometallic compounds (OMC) tested CL occurs. It is established that CL is excited not only for metal alkyl (aryl) OMC, but for sandwich compounds, carbonyls and for those containing metal-metal bonds. Kinetic dependences of CL intensity during OMC oxidation by oxygen possess one or several maxima of luminance, that indicates to the essential role of organometallic peroxides in luminescence excitation. The presence of similar maxima in kinetic CL dependences, appearing during reaction of some OMC with XeF 2 , can be considered as evidence of formation of intermediate organo-xenon compounds

  16. Assessment of the significance of patent-derived information for the early identification of compound-target interaction hypotheses.

    Science.gov (United States)

    Senger, Stefan

    2017-04-21

    Patents are an important source of information for effective decision making in drug discovery. Encouragingly, freely accessible patent-chemistry databases are now in the public domain. However, at present there is still a wide gap between relatively low coverage-high quality manually-curated data sources and high coverage data sources that use text mining and automated extraction of chemical structures. To secure much needed funding for further research and an improved infrastructure, hard evidence is required to demonstrate the significance of patent-derived information in drug discovery. Surprisingly little such evidence has been reported so far. To address this, the present study attempts to quantify the relevance of patents for formulating and substantiating hypotheses for compound-target interactions. A manually-curated set of 130 compound-target interaction pairs annotated with what are considered to be the earliest patent and publication has been produced. The analysis of this set revealed that in stark contrast to what has been reported for novel chemical structures, only about 10% of the compound-target interaction pairs could be found in publications in the scientific literature within one year of being reported in patents. The average delay across all interaction pairs is close to 4 years. In an attempt to benchmark current capabilities, it was also examined how much of the benefit of using patent-derived information can be retained when a bioannotated version of SureChEMBL is used as secondary source for the patent literature. Encouragingly, this approach found the patents in the annotated set for 72% of the compound-target interaction pairs. Similarly, the effect of using the bioactivity database ChEMBL as secondary source for the scientific literature was studied. Here, the publications from the annotated set were only found for 46% of the compound-target interaction pairs. Patent-derived information is a significant enabler for formulating compound

  17. Absorption spectra of AA-stacked graphite

    International Nuclear Information System (INIS)

    Chiu, C W; Lee, S H; Chen, S C; Lin, M F; Shyu, F L

    2010-01-01

    AA-stacked graphite shows strong anisotropy in geometric structures and velocity matrix elements. However, the absorption spectra are isotropic for the polarization vector on the graphene plane. The spectra exhibit one prominent plateau at middle energy and one shoulder structure at lower energy. These structures directly reflect the unique geometric and band structures and provide sufficient information for experimental fitting of the intralayer and interlayer atomic interactions. On the other hand, monolayer graphene shows a sharp absorption peak but no shoulder structure; AA-stacked bilayer graphene has two absorption peaks at middle energy and abruptly vanishes at lower energy. Furthermore, the isotropic features are expected to exist in other graphene-related systems. The calculated results and the predicted atomic interactions could be verified by optical measurements.

  18. Donor-Acceptor Interaction Determines the Mechanism of Photoinduced Electron Injection from Graphene Quantum Dots into TiO2: π-Stacking Supersedes Covalent Bonding.

    Science.gov (United States)

    Long, Run; Casanova, David; Fang, Wei-Hai; Prezhdo, Oleg V

    2017-02-22

    Interfacial electron transfer (ET) constitutes the key step in conversion of solar energy into electricity and fuels. Required for fast and efficient charge separation, strong donor-acceptor interaction is typically achieved through covalent chemical bonding and leads to fast, adiabatic ET. Focusing on interfaces of pyrene, coronene, and a graphene quantum dot (GQD) with TiO 2 , we demonstrate the opposite situation: covalent bonding leads to weak coupling and nonadiabatic (NA) ET, while through-space π-electron interaction produces adiabatic ET. Using real-time time-dependent density functional theory combined with NA molecular dynamics, we simulate photoinduced ET into TiO 2 from flat and vertically placed molecules and GQD containing commonly used carboxylic acid linkers. Both arrangements can be achieved experimentally with GQDs and other two-dimensional materials, such as MoS 2 . The weak through-bond donor-acceptor coupling is attributed to the π-electron withdrawing properties of the carboxylic acid group. The calculated ET time scales are in excellent agreement with pump-probe optical experiments. The simulations show that the ET proceeds faster than energy relaxation. The electron couples to a broad spectrum of vibrational modes, ranging from 100 cm -1 large-scale motions to 1600 cm -1 C-C stretches. Compared to graphene/TiO 2 heterojunctions, the molecule/TiO 2 and GQD/TiO 2 systems exhibit energy gaps, allowing for longer-lived excited states and hot electron injection, facilitating charge separation and higher voltage. The reported state-of-the-art simulations generate a detailed time-domain, atomistic description of the interfacial charge and energy transfer and relaxation processes, and demonstrate that the fundamental principles leading to efficient charge separation in nanoscale materials depend strongly and often unexpectedly on the type of donor-acceptor interaction. Understanding these principles is critical to the development of highly

  19. Instant BlueStacks

    CERN Document Server

    Judge, Gary

    2013-01-01

    Get to grips with a new technology, understand what it is and what it can do for you, and then get to work with the most important features and tasks. A fast-paced, example-based approach guide for learning BlueStacks.This book is for anyone with a Mac or PC who wants to run Android apps on their computer. Whether you want to play games that are freely available for Android but not your computer, or you want to try apps before you install them on a physical device or use it as a development tool, this book will show you how. No previous experience is needed as this is written in plain English

  20. Assessing Elementary Algebra with STACK

    Science.gov (United States)

    Sangwin, Christopher J.

    2007-01-01

    This paper concerns computer aided assessment (CAA) of mathematics in which a computer algebra system (CAS) is used to help assess students' responses to elementary algebra questions. Using a methodology of documentary analysis, we examine what is taught in elementary algebra. The STACK CAA system, http://www.stack.bham.ac.uk/, which uses the CAS…

  1. HPC Software Stack Testing Framework

    Energy Technology Data Exchange (ETDEWEB)

    2017-07-27

    The HPC Software stack testing framework (hpcswtest) is used in the INL Scientific Computing Department to test the basic sanity and integrity of the HPC Software stack (Compilers, MPI, Numerical libraries and Applications) and to quickly discover hard failures, and as a by-product it will indirectly check the HPC infrastructure (network, PBS and licensing servers).

  2. Loop Entropy Assists Tertiary Order: Loopy Stabilization of Stacking Motifs

    Directory of Open Access Journals (Sweden)

    Daniel P. Aalberts

    2011-11-01

    Full Text Available The free energy of an RNA fold is a combination of favorable base pairing and stacking interactions competing with entropic costs of forming loops. Here we show how loop entropy, surprisingly, can promote tertiary order. A general formula for the free energy of forming multibranch and other RNA loops is derived with a polymer-physics based theory. We also derive a formula for the free energy of coaxial stacking in the context of a loop. Simulations support the analytic formulas. The effects of stacking of unpaired bases are also studied with simulations.

  3. Andrographolide: A Novel Antimalarial Diterpene Lactone Compound from Andrographis paniculata and Its Interaction with Curcumin and Artesunate

    Directory of Open Access Journals (Sweden)

    Kirti Mishra

    2011-01-01

    Full Text Available Andrographolide (AND, the diterpene lactone compound, was purified by HPLC from the methanolic fraction of the plant Andrographis paniculata. The compound was found to have potent antiplasmodial activity when tested in isolation and in combination with curcumin and artesunate against the erythrocytic stages of Plasmodium falciparum in vitro and Plasmodium berghei ANKA in vivo. IC50s for artesunate (AS, andrographolide (AND, and curcumin (CUR were found to be 0.05, 9.1 and 17.4 μM, respectively. The compound (AND was found synergistic with curcumin (CUR and addictively interactive with artesunate (AS. In vivo, andrographolide-curcumin exhibited better antimalarial activity, not only by reducing parasitemia (29%, compared to the control (81%, but also by extending the life span by 2-3 folds. Being nontoxic to the in vivo system this agent can be used as template molecule for designing new derivatives with improved antimalarial properties.

  4. Accuracy of density functionals in the description of dispersion interactions and IR spectra of phosphates and phosphorylated compounds.

    Science.gov (United States)

    Sharma, Ashwani; Ohanessian, Gilles; Clavaguéra, Carine

    2014-09-01

    The performances of quantum chemistry methods (i.e., DFT and ab initio) in calculating the structural and vibrational properties of phosphates and phosphorylated compounds have been evaluated. Diethyl-phosphate, phosphonic acid, dihydrogen phosphate anion, phosphoric acid dimer and protonated glycylphosphotyrosine dipeptide were selected for our study. Geometry and harmonic frequency deviations were investigated, pointing out the contribution of dispersion interactions on diethyl-phosphate, [Gly-pTyr+H](+) and the phosphoric acid dimer. The B3LYP-D functional, followed by CC2 and MP2 methods, revealed significant accuracy for frequency calculations of the majority of the phosphorylated compounds in comparison with available experimental data. These investigations provide a guide to the accurate computation of phosphorylated biological compounds.

  5. Potent competitive interactions of some brominated flame retardants and related compounds with human transthyretin in vitro

    NARCIS (Netherlands)

    Meerts, I.A.T.M.; Zanden, van J.J.; Luijks, E.A.C.; Leeuwen-Bol, van I.; Marsh, G.; Jakobsson, E.; Bergman, A.; Brouwer, A.

    2000-01-01

    Brominated flame retardants such as polybrominated diphenyl ethers (PBDEs), pentabromophenol (PBP), and tetrabromobisphenol A (TBBPA) are produced in large quantities for use in electronic equipment, plastics, and building materials. Because these compounds have some structural resemblance to the

  6. Insights into head-column field-amplified sample stacking: Part II. Study of the behavior of the electrophoretic system after electrokinetic injection of cationic compounds across a short water plug.

    Science.gov (United States)

    Šesták, Jozef; Thormann, Wolfgang

    2017-08-25

    Part I on head-column field-amplified sample stacking comprised a detailed study of the electrokinetic injection of a weak base across a short water plug into a phosphate buffer at low pH. The water plug is converted into a low conductive acidic zone and cationic analytes become stacked at the interface between this and a newly formed phosphoric acid zone. The fundamentals of electrokinetic processes occurring thereafter were studied experimentally and with computer simulation and are presented as part II. The configuration analyzed represents a discontinuous buffer system. Computer simulation revealed that the phosphoric acid zone at the plug-buffer interface becomes converted into a migrating phosphate buffer plug which corresponds to the cationically migrating system zone of the phosphate buffer system. Its mobility is higher than that of the analytes such that they migrate behind the system zone in a phosphate buffer comparable to the applied background electrolyte. The temporal behaviour of the current and the conductivity across the water plug were monitored and found to reflect the changes in the low conductivity plug. Determination of the buffer flow in the capillary revealed increased pumping caused by the mismatch of electroosmosis within the low conductivity plug and the buffer. This effect becomes elevated with increasing water plug length. For plug lengths up to 1% of the total column length the flow quickly drops to the electroosmotic flow of the buffer and simulations with experimentally determined current and flow values predict negligible band dispersion and no loss of resolution for both low and large molecular mass components. Copyright © 2017 Elsevier B.V. All rights reserved.

  7. Stability, Reactivity, and Constituent Interaction in TiSe2-Based Metastable Misfit Layer Compounds Synthesized from Designed Amorphous Precursors

    Science.gov (United States)

    Merrill, Devin R.

    A series of intergrowth compounds with the basic formula [(MSe) 1+delta]m(TiSe2)n are reported. The compounds are prepared from modulated elemental reactants and display interesting structural and electronic behavior. Section 1 of this dissertation outlines initial attempts to characterize constituent interaction. The first member of the SnSe based subclass is reported and displays the highest Seebeck coefficient of any m = n = 1 compound reported to date, and a surprising amount of order is observed, compared to previously reported compounds. With properly established deposition parameters, the synthesis was extended to included the m = 2-4 compounds. These compounds display interesting electronic behavior that suggests the band structure shifts considerably as the SnSe block is expanded, affecting the interaction between the constituent layers. The first compound based on BiSe is then reported, suggesting that the Bi structure donates more conduction electrons to the band structure. Targeted substitution through kinetic control is the focus of Section 2, and a family of (PbxSn1-xSe)1+deltaTiSe 2 is reported over the entire range of x, even though a miscibility gap exists in the bulk PbxSn1-xSe system. The resulting alloyed intergrowth compounds also display equal or higher mobility than the end members, suggesting modulation doping could be used to affect transport properties. As a proof of principle, the analogous system based on a Bi xSn1-xSe constituent was prepared to attempt to systematically affect carrier concentration. It was found that while carrier concentration can be controlled, the evolving structure affects the doping efficiency of the Bi atoms and mobility in the structure. Section 3 outlines attempts to form higher order TiSe2-based heterostructures and the important chemical considerations observed during the preparation of these materials. The 3 component systems in the Pb-Sn-Ti-Se system can be formed at low temperature, with SnSe2 rather than

  8. Analysis of the main dosimetric peak of Al2O3:C compounds with a model of interacting traps

    International Nuclear Information System (INIS)

    Ortega, F.; Marcazzó, J.; Molina, P.; Santiago, M.; Lester, M.; Henniger, J.; Caselli, E.

    2013-01-01

    The glow curve of Al 2 O 3 :C compounds has been analyzed by employing a model consisting of two active traps, thermally disconnected traps and one recombination centre. The analysis takes into account interaction among traps and the thermal quenching of the thermoluminescent emission. - Highlights: • Glow curves of Al 2 O 3 :C for two doses have been analysed taking into account interactions among traps. • The system of differential equations describing the kinetics has been uncoupled. • The new system of equations takes into account equations without derivatives. • The algorithm used will not become stiff. • The kinetics parameters obtained do not depend on the dose

  9. Environmental assessment of phosphogypsum stacks

    International Nuclear Information System (INIS)

    Odat, M.; Al-Attar, L.; Raja, G.; Abdul Ghany, B.

    2008-03-01

    Phosphogypsum is one of the most important by-products of phosphate fertilizer industry. It is kept in large stacks to the west of Homs city. Storing Phosphogypsum as open stacks exposed to various environmental effects, wind and rain, may cause pollution of the surrounding ecosystem (soil, plant, water and air). This study was carried out in order to assess the environmental impact of Phosphogypsum stacks on the surrounding ecosystem. The obtained results show that Phosphogypsum stacks did not increase the concentration of radionuclides, i.e. Radon-222 and Radium-226, the external exposed dose of gamma rays, as well as the concentration of heavy metals in the components of the ecosystem, soil, plant, water and air, as their concentrations did not exceed the permissible limits. However, the concentration of fluorine in the upper layer of soil, located to the east of the Phosphogypsum stacks, increased sufficiently, especially in the dry period of the year. Also, the concentration of fluoride in plants growing up near-by the Phosphogypsum stacks was too high, exceeded the permissible levels. This was reflected in poising plants and animals, feeding on the plants. Consequently, increasing the concentration of fluoride in soil and plants is the main impact of Phosphogypsum stacks on the surrounding ecosystem. Minimising this effect could be achieved by establishing a 50 meter wide protection zone surrounding the Phosphogypsum stacks, which has to be planted with non palatable trees, such as pine and cypress, forming wind barriers. Increasing the concentrations of heavy metals and fluoride in infiltrated water around the stacks was high; hence cautions must be taken to prevent its usage in any application or disposal in adjacent rivers and leaks.(author)

  10. Development of Monopole Interaction Models for Ionic Compounds. Part I: Estimation of Aqueous Henry’s Law Constants for Ions and Gas Phase pKa Values for Acidic Compounds

    Science.gov (United States)

    The SPARC (SPARC Performs Automated Reasoning in Chemistry) physicochemical mechanistic models for neutral compounds have been extended to estimate Henry’s Law Constant (HLC) for charged species by incorporating ionic electrostatic interaction models. Combinations of absolute aq...

  11. Significance of investigating allelopathic interactions of marine organisms in the discovery and development of cytotoxic compounds

    Digital Repository Service at National Institute of Oceanography (India)

    Singh, A.; Thakur, N.L.

    ]. In well illuminated regions, the sponge Verongia arrophoha which contained symbiotic cyanobacteria showed a higher growth rate and production of allelochemical as compared that in darker areas where it lacked the ability of producing...-mediated interactions are well documented in literature [9-11] whereas chemically-mediated interactions have not received enough attention. These chemically-mediated interactions are the source of novel bioactive metabolites [12]. A wide range of natural products...

  12. The effect of potential supramolecular-bond promoters on the DNA-interacting abilities of copper-terpyridine compounds.

    Science.gov (United States)

    Grau, Jordi; Brissos, Rosa F; Salinas-Uber, Jorge; Caballero, Ana B; Caubet, Amparo; Roubeau, Olivier; Korrodi-Gregório, Luís; Pérez-Tomás, Ricardo; Gamez, Patrick

    2015-09-28

    Three copper(ii) coordination compounds have been prepared from three different 2,2':6',2''-terpyridine-based ligands, which have been selected to investigate the potential role of supramolecular interactions on the DNA-interacting and cytotoxicity properties of the corresponding metal complexes. Hence, the ligands 4'-((naphthalen-2-yl)methoxy)-2,2':6',2''-terpyridine () and 4'-((1H-benzo[d]imidazol-2-yl)methoxy)-2,2':6',2''-terpyridine () have been synthesized from commercially-available 4'-chloro-2,2':6',2''-terpyridine (), and their copper(ii) complexes have been obtained by reaction with copper(ii) nitrate. The DNA-interacting abilities of the corresponding compounds [Cu()(H2O)(NO3)2] (), [Cu()(NO3)(H2O)](NO3)(MeOH) () and [Cu()(NO3)(H2O)](NO3) () have been investigated using different techniques, and cytotoxicity assays with several cancer cell lines have revealed interesting features, viz. the more efficient complex is , which although it does not act as a DNA cleaver, displays the most effective DNA-interacting and cytotoxic properties, compared to and .

  13. Interactions of auxinic compounds on a Ca2+ signaling and root growth in Arabidopsis thaliana

    Science.gov (United States)

    Auxinic-like compounds have been widely used as weed control agents. Over the years, the mode of action of auxinic herbicides have been elucidated, but most studies thus far have focused on their effects on later stages of plant growth. Here, we show that some select auxins and auxinic-like herbicid...

  14. Interactions of skin thickness and physicochemical properties of test compounds in percutaneous penetration studies

    DEFF Research Database (Denmark)

    Wilkinson, Simon C.; Maas, Wilfred J. M.; Nielsen, Jesper Bo

    2006-01-01

    Abstract   Objectives: To determine the effect of skin thickness on the percutaneous penetration and distribution of test compounds with varying physicochemical properties using in vitro systems. Studies were carried out in accordance with OECD guidelines on skin absorption tests. Methods: Percut...

  15. Direct speech compounds : Evoking socio-cultural scenarios through fictive interaction

    NARCIS (Netherlands)

    Pascual, Esther; Krolak, Emilia; Janssen, Theo A. J. M.

    2013-01-01

    This paper examines English nominal compounds whose modifier could serve as a self-sufficient discourse unit (e.g. "Hi honey, I'm home happiness," "'not happy, money back' guarantee"). The scant literature on the construction treats such modifiers as embedded sentences, clauses, or phrases. Drawing

  16. Interactions between radionuclides and organic colloids. Structure and reactivity of humic compounds; Interactions entre radionucleides et colloides organiques. Structure et reactivite des substances humiques

    Energy Technology Data Exchange (ETDEWEB)

    Plancque, G

    2001-09-01

    Humic compounds are the main organic colloids present in natural waters. These compounds can significantly modify the speciation of metals and control their properties, like migration, toxicity or bio-availability. It is thus important to study their speciation in conditions representative to those encountered in the natural environment. The aim of this work is to analyze the reactivity of these humic compounds. Two spectroscopic techniques have been used: the time-resolution laser spectro-fluorimetry, limited to the study of fluorescent elements, and the electro-spray source mass spectroscopy which requires the development of specific protocols for all elements of the periodic classification system. Europium, a fluorescent element analogue to trivalent actinides, has been chosen as test-metal for the intercomparison of both spectroscopic techniques. The first technique has permitted to determine the inorganic and organic speciation (spectra and lifetime of europium hydroxides and carbonates, and constants of interaction with humic acids, respectively). The limitations of this technique in the study of inorganic speciation has been evidenced. Humic compounds have a badly defined structure. The use of high-resolution mass spectroscopy has permitted to propose in a direct and experimental way, a molecular structure of aquatic fulvic acids in agreement with their known physico-chemical properties. (J.S.)

  17. Phytohormones in plant-endophyte interactions: investigating the role of these compounds in the recruitment of tomato root fungal endophytes

    DEFF Research Database (Denmark)

    Manzotti, Andrea; Jørgensen, Hans Jørgen Lyngs; Collinge, David B.

    Endophytes are microbes capable of colonizing the inner part of different plant tissues without causing disease symptoms. In some cases, they have beneficial effects for the host plant. The role of endophytes in biological control of plant pathogens, in induction of plant abiotic stress tolerance...... and in enhancement of plant growth has strongly increased the focus on the isolation of novel endophytic species. In order to implement the use of specific endophytes in agriculture, it is important to understand the mechanisms involved in the plant-endophyte interactions. Phytohormones play a significant role...... in this interaction, but little is known about the specific way by which they influence the recruitment and the colonization of the host tissues. The aim of the current project is to go deeper into the role of these signalling compounds in plant-endophyte interactions. The isolation of endophytic fungi from tomato...

  18. Maximum supercurrent in two Josephson-junction stacks: Theory and experiment

    DEFF Research Database (Denmark)

    Carapella, G; Costabile, G; Sakai, S

    1998-01-01

    The interaction between two long Josephson junctions in a stack is investigated experimentally in the absence of applied magnetic field. Mutual interaction is observed when both junctions or only one junction in the stack is in the zero voltage state. To account for the observed phenomena we...... propose a model that takes into account the nonuniform self-fields generated by the bias currents....

  19. Interaction of dietary compounds, especially polyphenols, with the intestinal microbiota: a review.

    Science.gov (United States)

    Duda-Chodak, Aleksandra; Tarko, Tomasz; Satora, Paweł; Sroka, Paweł

    2015-04-01

    The intestinal microbiome plays an important role in the metabolism of chemical compounds found within food. Bacterial metabolites are different from those that can be generated by human enzymes because bacterial processes occur under anaerobic conditions and are based mainly on reactions of reduction and/or hydrolysis. In most cases, bacterial metabolism reduces the activity of dietary compounds; however, sometimes a specific product of bacterial transformation exhibits enhanced properties. Studies on the metabolism of polyphenols by the intestinal microbiota are crucial for understanding the role of these compounds and their impact on our health. This review article presents possible pathways of polyphenol metabolism by intestinal bacteria and describes the diet-derived bioactive metabolites produced by gut microbiota, with a particular emphasis on polyphenols and their potential impact on human health. Because the etiology of many diseases is largely correlated with the intestinal microbiome, a balance between the host immune system and the commensal gut microbiota is crucial for maintaining health. Diet-related and age-related changes in the human intestinal microbiome and their consequences are summarized in the paper.

  20. Interaction of intermetallic compounds formed by rare earths, scandium, yttrium and 3d-transition metals, with gaseous ammonia

    International Nuclear Information System (INIS)

    Shilkin, S.P.; Volkova, L.S.

    1992-01-01

    Interaction of the RT n intermetallic compounds, where R Sc, Y, rare earths, T = Fe, Co, Ni; n = 2,3,5, with gaseous ammonia under pressure of 1MPa and at temperatures of 293, 723 and 798 K is studied. It is established on the basis of roentgenographic studied, chemical analysis data, X-ray photoelectron spectroscopy and specific surface measurements that metallic matrixes of intermetallides decompose into nitrides and transition metal phases at temperatures of 723 and 798 K under effect of ammonia and independent of structural types of the source materials; partial or complete decomposition of intermetallides through ammonia with formation of transition metal mixture, binary hydrides and nitrides of the most electropositive metal the above systems occurs at the temperature of 293 K depending on the heat of the source compounds and their tendency to decomposition under ammonia effect

  1. Interactions between iron, phenolic compounds, emulsifiers, and pH in omega-3-enriched oil-in-water emulsions

    DEFF Research Database (Denmark)

    Sørensen, Ann-Dorit Moltke; Haahr, Anne-Mette; Becker, E.M.

    2008-01-01

    The behavior of antioxidants in emulsions is influenced by several factors such as pH and emulsifier type. This study aimed to evaluate the interaction between selected food emulsifiers, phenolic compounds, iron, and pH and their effect on the oxidative stability of n-3 polyunsaturated lipids...... products. When iron was present, the pH was crucial for the formation of lipid oxidation products. At pH 3 some phenolic compounds, especially caffeic acid, reduced Fe3+ to Fe2+, and Fe2+ increased lipid oxidation at this pH compared to pH 6. Among the evaluated phenols, caffeic acid had the most...... significant effects, as caffeic acid was found to be prooxidative irrespective of pH, emulsifier type, and presence of iron, although the degrees of lipid oxidation were different at the different experimental conditions. The other evaluated phenols were prooxidative at pH 3 in Citrem-stabilized emulsions...

  2. ESR-spin trapping studies on the interaction between anthraquinone triplets and aromatic compounds

    International Nuclear Information System (INIS)

    Moger, G.; Rockenbauer, A.; Simon, P.

    1980-01-01

    The ESR spin trapping technique was used for the detection of transient C-centered radicals in the photochemical interaction between triplet anthraquinone and aromatic hydroperoxide and alcohol. (author)

  3. The interaction of metal carbonyl compounds with organic polymers and monomers

    OpenAIRE

    Lyons, Michael P.

    1993-01-01

    The photochemistry of W(CO)6, Mo(CO)6, and Cr(CO)6 in the presence of monomeric and polymeric triphenylphosphine ligands was investigated in toluene solution, using laser flash photolysis with 355nm excitation. The mechanism and kinetics of interaction of the primary photoproducts M(CO)5(toluene) (M = W, Mo, or Cr) with the various monomeric ligands were investigated. Interaction of the metal carbonyl photofragments with various homopolymers is also discussed. The polymerisation methods used ...

  4. Natural Compounds Interacting with Nicotinic Acetylcholine Receptors: From Low-Molecular Weight Ones to Peptides and Proteins

    Directory of Open Access Journals (Sweden)

    Denis Kudryavtsev

    2015-05-01

    Full Text Available Nicotinic acetylcholine receptors (nAChRs fulfill a variety of functions making identification and analysis of nAChR subtypes a challenging task. Traditional instruments for nAChR research are d-tubocurarine, snake venom protein α-bungarotoxin (α-Bgt, and α-conotoxins, neurotoxic peptides from Conus snails. Various new compounds of different structural classes also interacting with nAChRs have been recently identified. Among the low-molecular weight compounds are alkaloids pibocin, varacin and makaluvamines C and G. 6-Bromohypaphorine from the mollusk Hermissenda crassicornis does not bind to Torpedo nAChR but behaves as an agonist on human α7 nAChR. To get more selective α-conotoxins, computer modeling of their complexes with acetylcholine-binding proteins and distinct nAChRs was used. Several novel three-finger neurotoxins targeting nAChRs were described and α-Bgt inhibition of GABA-A receptors was discovered. Information on the mechanisms of nAChR interactions with the three-finger proteins of the Ly6 family was found. Snake venom phospholipases A2 were recently found to inhibit different nAChR subtypes. Blocking of nAChRs in Lymnaea stagnalis neurons was shown for venom C-type lectin-like proteins, appearing to be the largest molecules capable to interact with the receptor. A huge nAChR molecule sensible to conformational rearrangements accommodates diverse binding sites recognizable by structurally very different compounds.

  5. Natural compounds interacting with nicotinic acetylcholine receptors: from low-molecular weight ones to peptides and proteins.

    Science.gov (United States)

    Kudryavtsev, Denis; Shelukhina, Irina; Vulfius, Catherine; Makarieva, Tatyana; Stonik, Valentin; Zhmak, Maxim; Ivanov, Igor; Kasheverov, Igor; Utkin, Yuri; Tsetlin, Victor

    2015-05-14

    Nicotinic acetylcholine receptors (nAChRs) fulfill a variety of functions making identification and analysis of nAChR subtypes a challenging task. Traditional instruments for nAChR research are d-tubocurarine, snake venom protein α-bungarotoxin (α-Bgt), and α-conotoxins, neurotoxic peptides from Conus snails. Various new compounds of different structural classes also interacting with nAChRs have been recently identified. Among the low-molecular weight compounds are alkaloids pibocin, varacin and makaluvamines C and G. 6-Bromohypaphorine from the mollusk Hermissenda crassicornis does not bind to Torpedo nAChR but behaves as an agonist on human α7 nAChR. To get more selective α-conotoxins, computer modeling of their complexes with acetylcholine-binding proteins and distinct nAChRs was used. Several novel three-finger neurotoxins targeting nAChRs were described and α-Bgt inhibition of GABA-A receptors was discovered. Information on the mechanisms of nAChR interactions with the three-finger proteins of the Ly6 family was found. Snake venom phospholipases A2 were recently found to inhibit different nAChR subtypes. Blocking of nAChRs in Lymnaea stagnalis neurons was shown for venom C-type lectin-like proteins, appearing to be the largest molecules capable to interact with the receptor. A huge nAChR molecule sensible to conformational rearrangements accommodates diverse binding sites recognizable by structurally very different compounds.

  6. Natural Compounds Interacting with Nicotinic Acetylcholine Receptors: From Low-Molecular Weight Ones to Peptides and Proteins

    Science.gov (United States)

    Kudryavtsev, Denis; Shelukhina, Irina; Vulfius, Catherine; Makarieva, Tatyana; Stonik, Valentin; Zhmak, Maxim; Ivanov, Igor; Kasheverov, Igor; Utkin, Yuri; Tsetlin, Victor

    2015-01-01

    Nicotinic acetylcholine receptors (nAChRs) fulfill a variety of functions making identification and analysis of nAChR subtypes a challenging task. Traditional instruments for nAChR research are d-tubocurarine, snake venom protein α-bungarotoxin (α-Bgt), and α-conotoxins, neurotoxic peptides from Conus snails. Various new compounds of different structural classes also interacting with nAChRs have been recently identified. Among the low-molecular weight compounds are alkaloids pibocin, varacin and makaluvamines C and G. 6-Bromohypaphorine from the mollusk Hermissenda crassicornis does not bind to Torpedo nAChR but behaves as an agonist on human α7 nAChR. To get more selective α-conotoxins, computer modeling of their complexes with acetylcholine-binding proteins and distinct nAChRs was used. Several novel three-finger neurotoxins targeting nAChRs were described and α-Bgt inhibition of GABA-A receptors was discovered. Information on the mechanisms of nAChR interactions with the three-finger proteins of the Ly6 family was found. Snake venom phospholipases A2 were recently found to inhibit different nAChR subtypes. Blocking of nAChRs in Lymnaea stagnalis neurons was shown for venom C-type lectin-like proteins, appearing to be the largest molecules capable to interact with the receptor. A huge nAChR molecule sensible to conformational rearrangements accommodates diverse binding sites recognizable by structurally very different compounds. PMID:26008231

  7. Analysis of the interaction of polycyclic aromatic compounds in a model organism: integration of genotoxic and histopathological effects

    Directory of Open Access Journals (Sweden)

    Sofia Pereira

    2014-05-01

    Full Text Available Due to their toxicity, especially their carcinogenic potential, polycyclic aromatic hydrocarbons (PAHs are considered priority in biomonitoring programmes. Many of these compounds are listed through the European Water Framework Directive as priority pollutants. Benzo(bfluoranthene (B[b]F, considered potentially carcinogenic, and phenanthrene (Phe, non-carcinogenic, are two common PAHs in coastal waters and own distinct proprieties that are reflected in their mechanisms of toxicity. Still, their interaction effects onto the aquatic biota remain largely unknown. This work aimed to analyze the genotoxic effects caused by the interaction of B[b]F and Phe and their relation to histopathological alterations in the liver. The model organism was the seabass Dicentrarchus labrax, an important coastal species for fisheries and aquaculture. For the purpose, fish were injected with the two compounds (5 µg/g fish ww, isolated or in mixture, and incubated for 24h. The results only revealed minor clastogenic and aneugenic alterations, determined through erythrocytic nuclear abnormalities. On the other hand, the Comet assay showed significant DNA strand breakage in the individuals injected with B[b]F and the combination of the two compounds. On the contrary, Phe failed to cause significant genotoxic effects. Significant hepatic histopathological alterations were also found in animals injected with B[b]F, relating especially to inflammation-related responses. Overall, the results indicate no significant additive effect between B[b]F and Phe, under the current experimental conditions. Nonetheless, the seabass revealed to be sensitive to exposure to B[b]F (a higher molecular weight PAH, likely due to more efficient bioactivation of the pollutant (yielded genotoxic metabolites and reactive oxygen species, when compared to Phe. It is of paramount importance to understand the long-term interaction effects between PAHs under ecologically-relevant scenarios, since

  8. Photoreactivity of biologically active compounds. VII. Interaction of antimalarial drugs with melanin in vitro as part of phototoxicity screening.

    Science.gov (United States)

    Kristensen, S; Orsteen, A L; Sande, S A; Tønnesen, H H

    1994-10-01

    The drugs commonly used in the treatment of malaria are photochemically unstable. Several of these compounds accumulate in melanin-rich tissues and cause toxic reactions which may be light induced. As part of the screening of the photochemical properties and phototoxic capabilities of antimalarials, the in vitro interaction of eight antimalarials with melanin was studied. The dissociation constant for the drug-melanin complex and the relative number of binding sites on melanin were estimated for six of the drugs using a curve-fitting program. The reaction rate for the formation of the melanin-drug complex was determined, and the complexes were further characterized by zeta potential measurements.

  9. Thorium - humic compound interaction in the water of Morro do Ferro (Pocos de Caldas, MG, Brazil)

    International Nuclear Information System (INIS)

    Kuechler, I.L.

    1986-01-01

    Experimental procedures and results are presented on the determination of thorium and organic dissolved carbon (DOC) in natural waters (bore hole and surface waters) from the Morro de Ferro, a thorium - rare earth occurrence situated in the Pocos de Caldas Plateau in Minas Gerais (Brazil). A positive correlation between Th-232 and humic compounds content was abserved. Utilizing ultrafiltration techniques with Amicon membranes (XM-300, PM-10, UM-10 and YM-2), organic compounds with molecular weights above 1000 units were separated and concentrated from waters. Percolation waters rich in organic material concentrate DOC and Th-232 in the high molecular weight fractions ( > 10.000 MW units). Humic acid was separated from a percolation water sample and characterized by elemental and infrared spectroscopic analysis. The distribution coefficient of Th-232 between water and sediment was shown to be inversely correlated to DOC concentration, as reported by other authors for different environments. These results were also confirmed by laboratory experiments, which indicated additionally that low concentrations of humic acid ( [pt

  10. Study of interactions between metal ions and protein model compounds by energy decomposition analyses and the AMOEBA force field

    Science.gov (United States)

    Jing, Zhifeng; Qi, Rui; Liu, Chengwen; Ren, Pengyu

    2017-10-01

    The interactions between metal ions and proteins are ubiquitous in biology. The selective binding of metal ions has a variety of regulatory functions. Therefore, there is a need to understand the mechanism of protein-ion binding. The interactions involving metal ions are complicated in nature, where short-range charge-penetration, charge transfer, polarization, and many-body effects all contribute significantly, and a quantitative description of all these interactions is lacking. In addition, it is unclear how well current polarizable force fields can capture these energy terms and whether these polarization models are good enough to describe the many-body effects. In this work, two energy decomposition methods, absolutely localized molecular orbitals and symmetry-adapted perturbation theory, were utilized to study the interactions between Mg2+/Ca2+ and model compounds for amino acids. Comparison of individual interaction components revealed that while there are significant charge-penetration and charge-transfer effects in Ca complexes, these effects can be captured by the van der Waals (vdW) term in the AMOEBA force field. The electrostatic interaction in Mg complexes is well described by AMOEBA since the charge penetration is small, but the distance-dependent polarization energy is problematic. Many-body effects were shown to be important for protein-ion binding. In the absence of many-body effects, highly charged binding pockets will be over-stabilized, and the pockets will always favor Mg and thus lose selectivity. Therefore, many-body effects must be incorporated in the force field in order to predict the structure and energetics of metalloproteins. Also, the many-body effects of charge transfer in Ca complexes were found to be non-negligible. The absorption of charge-transfer energy into the additive vdW term was a main source of error for the AMOEBA many-body interaction energies.

  11. Potent synergistic in vitro interaction between nonantimicrobial membrane-active compounds and itraconazole against clinical isolates of Aspergillus fumigatus resistant to itraconazole.

    NARCIS (Netherlands)

    Afeltra, J.; Vitale, R.G.; Mouton, J.W.; Verweij, P.E.

    2004-01-01

    To develop new approaches for the treatment of invasive infections caused by Aspergillus fumigatus, the in vitro interactions between itraconazole (ITZ) and seven different nonantimicrobial membrane-active compounds--amiodarone (AMD), amiloride, lidocaine, lansoprazole (LAN), nifedipine (NIF),

  12. Modelagem da adsorção de compostos orgânicos voláteis sobre nanotubos de carbono cup-stacked usando o modelo da força motriz linear = Modeling volatile organic compounds (voc’s adsorption onto cupstacked carbon nanotubes (cscnt using the linear driving force model

    Directory of Open Access Journals (Sweden)

    Waldir Nagel Schirmer

    2010-07-01

    Full Text Available Os compostos orgânicos voláteis (COV são importante classe de poluentes do ar, e a adsorção tem sido largamente empregada no seu tratamento há vários anos. O presente trabalho utilizou metodologias analíticas convencionais para avaliar o nanotubo cup-stacked (CSCNT na purificação de correntes gasosas contaminadas com COV. O CSCNT é constituído de múltiplas camadas de grafeno em formato cônico, apresentando extremidades abertas em sua superfície externa e canais centrais vazios. Foi adotado o Carbotrap como suporte do cup-stacked. O adsorvente-parâmetro de comparação do desempenho desse compósito foi o próprio Carbotrap (sem o nanotubo. Foi avaliada a capacidade de adsorção de cada adsorvente, bem como suas capacidades de saturação para cada uma das concentrações trabalhadas com os dois adsorbatos utilizados (1, 5, 20 e 35 ppm de tolueno e fenol. Na modelagem das curvas massaxtempo, utilizou-se o modelo da força motriz linear (LDF – linear driving force. A metodologia proposta para determinação das curvas massa.tempo mostrou-se aplicável a análises desta natureza. Em relação ao desempenho dos adsorventes, o compósito obteve clara vantagem em relação ao Carbotrap; os valores das capacidades de saturação para o compósito foram, em média, 67% superiores aos obtidos para o Carbotrap.Volatile organic compounds (VOC’s are an important category of air pollutants and adsorption has been employed in the treatment (or simply concentration of these compounds. The current study used an ordinary analytical methodology to evaluate the properties of a cupstacked nanotube (CSCNT, a stacking morphology of truncated conical graphene, with large amounts of open edges on the outer surface and empty central channels. This work used a Carbotrap bearing a cup-stacked structure (composite; for comparison, Carbotrapwas used as reference (without the nanotube. The retention and saturation capacities of both adsorbents to each

  13. A ruthenium anticancer compound interacts with histones and impacts differently on epigenetic and death pathways compared to cisplatin.

    Science.gov (United States)

    Licona, Cynthia; Spaety, Marie-Elodie; Capuozzo, Antonelle; Ali, Moussa; Santamaria, Rita; Armant, Olivier; Delalande, Francois; Van Dorsselaer, Alain; Cianferani, Sarah; Spencer, John; Pfeffer, Michel; Mellitzer, Georg; Gaiddon, Christian

    2017-01-10

    Ruthenium complexes are considered as potential replacements for platinum compounds in oncotherapy. Their clinical development is handicapped by a lack of consensus on their mode of action. In this study, we identify three histones (H3.1, H2A, H2B) as possible targets for an anticancer redox organoruthenium compound (RDC11). Using purified histones, we confirmed an interaction between the ruthenium complex and histones that impacted on histone complex formation. A comparative study of the ruthenium complex versus cisplatin showed differential epigenetic modifications on histone H3 that correlated with differential expression of histone deacetylase (HDAC) genes. We then characterized the impact of these epigenetic modifications on signaling pathways employing a transcriptomic approach. Clustering analyses showed gene expression signatures specific for cisplatin (42%) and for the ruthenium complex (30%). Signaling pathway analyses pointed to specificities distinguishing the ruthenium complex from cisplatin. For instance, cisplatin triggered preferentially p53 and folate biosynthesis while the ruthenium complex induced endoplasmic reticulum stress and trans-sulfuration pathways. To further understand the role of HDACs in these regulations, we used suberanilohydroxamic acid (SAHA) and showed that it synergized with cisplatin cytotoxicity while antagonizing the ruthenium complex activity. This study provides critical information for the characterization of signaling pathways differentiating both compounds, in particular, by the identification of a non-DNA direct target for an organoruthenium complex.

  14. Interactions between iron, phenolic compounds, emulsifiers, and pH in omega-3-enriched oil-in-water emulsions.

    Science.gov (United States)

    Sørensen, Ann-Dorit Moltke; Haahr, Anne-Mette; Becker, Eleonora Miquel; Skibsted, Leif H; Bergenståhl, Björn; Nilsson, Lars; Jacobsen, Charlotte

    2008-03-12

    The behavior of antioxidants in emulsions is influenced by several factors such as pH and emulsifier type. This study aimed to evaluate the interaction between selected food emulsifiers, phenolic compounds, iron, and pH and their effect on the oxidative stability of n-3 polyunsaturated lipids in a 10% oil-in-water emulsion. The emulsifiers tested were Tween 80 and Citrem, and the phenolic compounds were naringenin, rutin, caffeic acid, and coumaric acid. Lipid oxidation was evaluated at all levels, that is, formation of radicals (ESR), hydroperoxides (PV), and secondary volatile oxidation products. When iron was present, the pH was crucial for the formation of lipid oxidation products. At pH 3 some phenolic compounds, especially caffeic acid, reduced Fe(3+) to Fe(2+), and Fe(2+) increased lipid oxidation at this pH compared to pH 6. Among the evaluated phenols, caffeic acid had the most significant effects, as caffeic acid was found to be prooxidative irrespective of pH, emulsifier type, and presence of iron, although the degrees of lipid oxidation were different at the different experimental conditions. The other evaluated phenols were prooxidative at pH 3 in Citrem-stabilized emulsions and had no significant effect at pH 6 in Citrem- or Tween-stabilized emulsions on the basis of the formation of volatiles. The results indicated that phenol-iron complexes/nanoparticles were formed at pH 6.

  15. Time-predictable Stack Caching

    DEFF Research Database (Denmark)

    Abbaspourseyedi, Sahar

    completely. Thus, in systems with hard deadlines the worst-case execution time (WCET) of the real-time software running on them needs to be bounded. Modern architectures use features such as pipelining and caches for improving the average performance. These features, however, make the WCET analysis more...... addresses, provides an opportunity to predict and tighten the WCET of accesses to data in caches. In this thesis, we introduce the time-predictable stack cache design and implementation within a time-predictable processor. We introduce several optimizations to our design for tightening the WCET while...... keeping the timepredictability of the design intact. Moreover, we provide a solution for reducing the cost of context switching in a system using the stack cache. In design of these caches, we use custom hardware and compiler support for delivering time-predictable stack data accesses. Furthermore...

  16. Glassy carbon based supercapacitor stacks

    Energy Technology Data Exchange (ETDEWEB)

    Baertsch, M.; Braun, A.; Koetz, R.; Haas, O. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

    1997-06-01

    Considerable effort is being made to develop electrochemical double layer capacitors (EDLC) that store relatively large quantities of electrical energy and possess at the same time a high power density. Our previous work has shown that glassy carbon is suitable as a material for capacitor electrodes concerning low resistance and high capacity requirements. We present the development of bipolar electrochemical glassy carbon capacitor stacks of up to 3 V. Bipolar stacks are an efficient way to meet the high voltage and high power density requirements for traction applications. Impedance and cyclic voltammogram measurements are reported here and show the frequency response of a 1, 2, and 3 V stack. (author) 3 figs., 1 ref..

  17. Multiple Segmentation of Image Stacks

    DEFF Research Database (Denmark)

    Smets, Jonathan; Jaeger, Manfred

    2014-01-01

    We propose a method for the simultaneous construction of multiple image segmentations by combining a recently proposed “convolution of mixtures of Gaussians” model with a multi-layer hidden Markov random field structure. The resulting method constructs for a single image several, alternative...... segmentations that capture different structural elements of the image. We also apply the method to collections of images with identical pixel dimensions, which we call image stacks. Here it turns out that the method is able to both identify groups of similar images in the stack, and to provide segmentations...

  18. Simulating Small-Scale Object Stacking Using Stack Stability

    DEFF Research Database (Denmark)

    Kronborg Thomsen, Kasper; Kraus, Martin

    2015-01-01

    This paper presents an extension system to a closed-source, real-time physics engine for improving structured stacking behavior with small-scale objects such as wooden toy bricks. The proposed system was implemented and evaluated. The tests showed that the system is able to simulate several common...

  19. Surface Chemistry Interactions of Cationorm with Films by Human Meibum and Tear Film Compounds

    Directory of Open Access Journals (Sweden)

    Georgi As. Georgiev

    2017-07-01

    Full Text Available Cationorm® (CN cationic nanoemulsion was demonstrated to enhance tear film (TF stability in vivo possibly via effects on tear film lipid layer (TFLL. Therefore the interactions of CN with human meibum (MGS and TFLL in vitro and in vivo deserve special study. MGS and CN were spread at the air/water interface of a Langmuir surface balance to ensure a range of MGS/CN oil phase ratios: 20/1, 10/1, 5/1, 3/1, 2/1 and 1/1. The films capability to reorganize during dynamic area changes was evaluated via the surface pressure-area compression isotherms and step/relaxation dilatational rheology studies. Films structure was monitored with Brewster angle microscopy. CN/TFLL interactions at the ocular surface were monitored with non-contact specular microscopy. The in vitro studies of MGS/CN layers showed that (i CN inclusion (at fixed MGS content increased film elasticity and thickness and that (ii CN can compensate for moderate meibum deficiency in MGS/CN films. In vivo CN mixed with TFLL in a manner similar to CN/MGS interactions in vitro, and resulted in enhanced thickness of TFLL. In vitro and in vivo data complement each other and facilitated the study of the composition-structure-function relationship that determines the impact of cationic nanoemulsions on TF.

  20. Pressurized electrolysis stack with thermal expansion capability

    Science.gov (United States)

    Bourgeois, Richard Scott

    2015-07-14

    The present techniques provide systems and methods for mounting an electrolyzer stack in an outer shell so as to allow for differential thermal expansion of the electrolyzer stack and shell. Generally, an electrolyzer stack may be formed from a material with a high coefficient of thermal expansion, while the shell may be formed from a material having a lower coefficient of thermal expansion. The differences between the coefficients of thermal expansion may lead to damage to the electrolyzer stack as the shell may restrain the thermal expansion of the electrolyzer stack. To allow for the differences in thermal expansion, the electrolyzer stack may be mounted within the shell leaving a space between the electrolyzer stack and shell. The space between the electrolyzer stack and the shell may be filled with a non-conductive fluid to further equalize pressure inside and outside of the electrolyzer stack.

  1. The Direct FuelCell™ stack engineering

    Science.gov (United States)

    Doyon, J.; Farooque, M.; Maru, H.

    FuelCell Energy (FCE) has developed power plants in the size range of 300 kW to 3 MW for distributed power generation. Field-testing of the sub-megawatt plants is underway. The FCE power plants are based on its Direct FuelCell™ (DFC) technology. This is so named because of its ability to generate electricity directly from a hydrocarbon fuel, such as natural gas, by reforming it inside the fuel cell stack itself. All FCE products use identical 8000 cm 2 cell design, approximately 350-400 cells per stack, external gas manifolds, and similar stack compression systems. The difference lies in the packaging of the stacks inside the stack module. The sub-megawatt system stack module contains a single horizontal stack whereas the MW-class stack module houses four identical vertical stacks. The commonality of the design, internal reforming features, and atmospheric operation simplify the system design, reduce cost, improve efficiency, increase reliability and maintainability. The product building-block stack design has been advanced through three full-size stack operations at company's headquarters in Danbury, CT. The initial proof-of-concept of the full-size stack design was verified in 1999, followed by a 1.5 year of endurance verification in 2000-2001, and currently a value-engineered stack version is in operation. This paper discusses the design features, important engineering solutions implemented, and test results of FCE's full-size DFC stacks.

  2. Interaction domains in permanent-magnetic rare-earth transition-metal compounds

    International Nuclear Information System (INIS)

    Thielsch, Juliane

    2015-01-01

    In the framework of this dissertation the phenomenon of the interaction domains was studied both experimentally and by means of micromagnetic simulation. Object of the study were one-phase NdFeB magnets, which were fabricated from commercial MQU-F powders of the Magnequench Inc. company by hot pressing and subsequent warm deformation in the IWF Dresden. Additionally via the same fabrication way also composite samples of NdFeB and Fe with different original particle sizes ere obtained and studied. Supported wer the experimental works by simulations with the FEMME software package, which is based on a hybrid finite-element method/boundary-element method.

  3. Flavor release and perception in hard candy: influence of flavor compound-flavor solvent interactions.

    Science.gov (United States)

    Schober, Amanda L; Peterson, Devin G

    2004-05-05

    The release kinetics of l-menthol dissolved in propylene glycol (PG), Miglyol, or 1,8-cineole (two common odorless flavor solvents differing in polarity and a hydrophobic flavor compound) were monitored from a model aqueous system via atmospheric pressure chemical ionization mass spectrometry (APCI-MS). Breath analysis was also conducted via APCI-MS to monitor release of l-menthol from hard candy that used PG and Miglyol for l-menthol incorporation. The quantities of l-menthol released when dissolved in PG or Miglyol from the model aqueous system were found to be similar and overall significantly greater in comparison to when dissolved in 1,8-cineole. Analogous results were reported by the breath analysis of hard candy. The release kinetics of l-menthol from PG or Miglyol versus from 1,8-cineole were notably more rapid and higher in quantity. Results from the sensory time-intensity study also indicated that there was no perceived difference in the overall cooling intensity between the two flavor solvent delivery systems (PG and Miglyol).

  4. Intercalation compounds involving inorganic layered structures

    Directory of Open Access Journals (Sweden)

    CONSTANTINO VERA R. L.

    2000-01-01

    Full Text Available Two-dimensional inorganic networks can shown intracrystalline reactivity, i.e., simple ions, large species as Keggin ions, organic species, coordination compounds or organometallics can be incorporated in the interlayer region. The host-guest interaction usually causes changes in their chemical, catalytic, electronic and optical properties. The isolation of materials with interesting properties and making use of soft chemistry routes have given rise the possibility of industrial and technological applications of these compounds. We have been using several synthetic approaches to intercalate porphyrins and phthalocyanines into inorganic materials: smectite clays, layered double hydroxides and layered niobates. The isolated materials have been characterized by elemental and thermal analysis, X-ray diffraction, surface area measurements, scanning electronic microscopy, electronic and resonance Raman spectroscopies and EPR. The degree of layer stacking and the charge density of the matrices as well their acid-base nature were considered in our studies on the interaction between the macrocycles and inorganic hosts.

  5. Interaction of Model Inhibitor Compounds with Minimalist Cluster Representations of Hydroxyl Terminated Metal Oxide Surfaces

    Directory of Open Access Journals (Sweden)

    Christopher D. Taylor

    2018-01-01

    Full Text Available The computational modeling of corrosion inhibitors at the level of molecular interactions has been pursued for decades, and recent developments are allowing increasingly realistic models to be developed for inhibitor–inhibitor, inhibitor–solvent and inhibitor–metal interactions. At the same time, there remains a need for simplistic models to be used for the purpose of screening molecules for proposed inhibitor performance. Herein, we apply a reductionist model for metal surfaces consisting of a metal cation with hydroxide ligands and use quantum chemical modeling to approximate the free energy of adsorption for several imidazoline class candidate corrosion inhibitors. The approximation is made using the binding energy and the partition coefficient. As in some previous work, we consider different methods for incorporating solvent and reference systems for the partition coefficient. We compare the findings from this short study with some previous theoretical work on similar systems. The binding energies for the inhibitors to the metal hydroxide clusters are found to be intermediate to the binding energies calculated in other work for bare metal vs. metal oxide surfaces. The method is applied to copper, iron, aluminum and nickel metal systems.

  6. Exchange interactions in the intermetallic compounds GdCo4-xNixAl

    International Nuclear Information System (INIS)

    Prasongkit, J.; Tang, I.M.

    2004-01-01

    The two sub-lattice model is modified to take into account the presence of two types of transition metal ions in GdCo 4-x Ni x Al. An expression for magnetization is obtained and is used to fit the experimental results of Burzo and Pop (J. Magn. Magn. Mater. 196-97 (1999) 768)). From the values of the molecular field coefficients n ij (i, j=Gd, Co or Ni), the values of the exchange interactions J GdGd , J GdCo , J GdNi , J CoCo , J CoNi and J NiNi were found. It is seen that three of them, J GdGd , J NiNi and J GdNi , exhibit clear exponential decreases as the Ni content increases; one of them, J CoCo , exhibits a clear exponential increase. The other two exchange interactions, J GdCo (J CoNi ), appear to exhibit a parabolic (inverted parabolic) dependence on the Ni content

  7. Interactions of antimicrobial compounds with cross-linking agents of alginate dressings.

    Science.gov (United States)

    Goh, Cheong Hian; Heng, Paul Wan Sia; Huang, Esther Pei En; Li, Benny Kai Hui; Chan, Lai Wah

    2008-07-01

    The aim of this study was to investigate the antimicrobial activities of calcium ions and other cross-linking agents of alginate dressings, as well as their compatibility with commonly used topical antimicrobials. The antimicrobial activities of cross-linking agents and antimicrobials (five antibiotics and four antiseptics) were evaluated by the broth dilution method. The interactions between individual cross-linking agents and antimicrobials were evaluated using the chequerboard test against common skin pathogens, Staphylococcus aureus and Pseudomonas aeruginosa. From the MIC determined, antibiotics were the most active, followed by the antiseptics and cross-linking agents. Calcium ions, which are commonly used to cross-link alginate, exhibited very weak antimicrobial activity and higher fractional inhibitory concentration than the other cross-linking agents. The use of calcium and gentamicin resulted in antagonism against S. aureus. In contrast, aluminium, zinc and copper ions exhibited higher antimicrobial activities but insignificant interactions with the antimicrobials. Commonly used topical antimicrobials that are active against the skin pathogens S. aureus and P. aeruginosa could be potentially incompatible with calcium alginate dressings. Copper, zinc and aluminium ions are more suitable cross-linking agents for alginate as they do not show antagonism with the antimicrobials and could impart antimicrobial property to the resultant dressing.

  8. Stack semantics of type theory

    DEFF Research Database (Denmark)

    Coquand, Thierry; Mannaa, Bassel; Ruch, Fabian

    2017-01-01

    We give a model of dependent type theory with one univalent universe and propositional truncation interpreting a type as a stack, generalizing the groupoid model of type theory. As an application, we show that countable choice cannot be proved in dependent type theory with one univalent universe...

  9. Multilayer Piezoelectric Stack Actuator Characterization

    Science.gov (United States)

    Sherrit, Stewart; Jones, Christopher M.; Aldrich, Jack B.; Blodget, Chad; Bao, Xioaqi; Badescu, Mircea; Bar-Cohen, Yoseph

    2008-01-01

    Future NASA missions are increasingly seeking to use actuators for precision positioning to accuracies of the order of fractions of a nanometer. For this purpose, multilayer piezoelectric stacks are being considered as actuators for driving these precision mechanisms. In this study, sets of commercial PZT stacks were tested in various AC and DC conditions at both nominal and extreme temperatures and voltages. AC signal testing included impedance, capacitance and dielectric loss factor of each actuator as a function of the small-signal driving sinusoidal frequency, and the ambient temperature. DC signal testing includes leakage current and displacement as a function of the applied DC voltage. The applied DC voltage was increased to over eight times the manufacturers' specifications to investigate the correlation between leakage current and breakdown voltage. Resonance characterization as a function of temperature was done over a temperature range of -180C to +200C which generally exceeded the manufacturers' specifications. In order to study the lifetime performance of these stacks, five actuators from one manufacturer were driven by a 60volt, 2 kHz sine-wave for ten billion cycles. The tests were performed using a Lab-View controlled automated data acquisition system that monitored the waveform of the stack electrical current and voltage. The measurements included the displacement, impedance, capacitance and leakage current and the analysis of the experimental results will be presented.

  10. Adding large EM stack support

    KAUST Repository

    Holst, Glendon

    2016-12-01

    Serial section electron microscopy (SSEM) image stacks generated using high throughput microscopy techniques are an integral tool for investigating brain connectivity and cell morphology. FIB or 3View scanning electron microscopes easily generate gigabytes of data. In order to produce analyzable 3D dataset from the imaged volumes, efficient and reliable image segmentation is crucial. Classical manual approaches to segmentation are time consuming and labour intensive. Semiautomatic seeded watershed segmentation algorithms, such as those implemented by ilastik image processing software, are a very powerful alternative, substantially speeding up segmentation times. We have used ilastik effectively for small EM stacks – on a laptop, no less; however, ilastik was unable to carve the large EM stacks we needed to segment because its memory requirements grew too large – even for the biggest workstations we had available. For this reason, we refactored the carving module of ilastik to scale it up to large EM stacks on large workstations, and tested its efficiency. We modified the carving module, building on existing blockwise processing functionality to process data in manageable chunks that can fit within RAM (main memory). We review this refactoring work, highlighting the software architecture, design choices, modifications, and issues encountered.

  11. Quadrupolar interactions and magneto-elastic effects in rare earth intermetallic compounds. Ch. 1

    International Nuclear Information System (INIS)

    Morin, P.; Schmitt, D.

    1990-01-01

    First the quantum hamiltonian is built, which describes both the one- and two-ion, spin and quadrupole couplings in systems of cubic, tetragonal and hexagonal symmetries. The power of the susceptibility formalism, which allows for independent determinations of the various coefficients, is emphasized. The main experimental evidence of quadrupolar orderings is presented and the quadrupolar consequences on the magnetic properties is given. The experimental techniques, which are based upon the susceptibility formalism, are illustrated, The magneto-elastic and pair interaction coefficients, which have been determined in the rare earth intermetallics, are reveiwed. Due to the anisotropic character of the magneto-elasticity, studies on single crystals are of fundamental importance and these are the only ones considered here. Finally an analysis of all these results from both a macroscopic and a microscopic point of view is given. (author). 282 refs.; 65 figs.; 24 tabs

  12. Interaction of hexachlorophene and other compounds with spin-labeled brain membranes.

    Science.gov (United States)

    Rakhit, G; Hanig, J P

    1984-04-30

    Experiments reported here demonstrate that hexachlorophene influences oxidation-reduction events inside the brain membrane, possibly via a free radical mechanism. This was shown by nitroxide spin label quenching inside the rat cerebellum membrane bilayer due to the interaction between hexachlorophene and peroxidase-hydrogen peroxide system. Prior addition of antioxidants, e.g., vitamin E or butylated hydroxytoluene, prevented such membrane-bound fatty acid spin label reduction, presumably due to their free radical scavenging abilities. The 5-doxyl stearic acid spin probe attached to the brain membranes did not exhibit any detectable changes in their ESR spectra nor, consequently, in the microviscosity of the membranes when exposed to up to 40 mM hexachlorophene.

  13. Crystal structures and intermolecular interactions of two novel antioxidant triazolyl-benzimidazole compounds

    Energy Technology Data Exchange (ETDEWEB)

    Karayel, A., E-mail: matchlessjimmy@163.com, E-mail: yccaoh@hotmail.com; Özbey, S. [Hacettepe University, Physics Engineering Department (Turkey); Ayhan-Kılcıgil, G.; Kuş, C. [Ankara University, Department of Pharmaceutical Chemistry, Faculty of Pharmacy (Turkey)

    2015-12-15

    The crystal structures of 5-(2-(p-chlorophenylbenzimidazol-1-yl-methyl)-4-(3-fluorophenyl)-2, 4-dihydro-[1,2,4]-triazole-3-thione (G6C) and 5-(2-(p-chlorophenylbenzimidazol-1-yl-methyl)-4-(2-methylphenyl)-2, 4-dihydro-[1,2,4]-triazole-3-thione (G4C) have been determined by single-crystal X-ray diffraction. Benzimidazole ring systems in both molecules are planar. The triazole part is almost perpendicular to the phenyl and the benzimidazole parts of the molecules in order to avoid steric interactions between the rings. The crystal structures are stabilized by intermolecular hydrogen bonds between the amino group of the triazole and the nitrogen atom of benzimidazole of a neighboring molecule.

  14. Effects of natural organic compounds on adsorption of actinoid on solid phase and interaction between colloid

    Energy Technology Data Exchange (ETDEWEB)

    Tominaga, Takeshi; Minai, Yoshitaka; Takahashi, Yoshio; Kohashi, Asaya [Tokyo Univ. (Japan); Yoshida, Zenko; Meguro, Yoshihiro; Kimura, Takaumi

    1996-01-01

    Two problems were studied such as, at first, the effects of calcium and magnesium on formation of complex of actinoid (III) and humic acid and, second, estimation of number of hydrate of europium (III) in polycarbonic acid complex by fluorescence lifetime measurements. With adding calcium and magnesium, the solubility of humic acid and apparent complex formation constant of actinoid (III)-humic acid complex decreased and amount of adsorption of humic acid on kaolinite increased. Apparent complex formation constant increased with increasing the dissociation degree but decreased with increasing the concentration of supporting electrolyte as same as that of humic acid. This result can be explained by the model of polymer electrolyte on the static electrical interaction with metal ions, because polycarbonic acid is polymer electrolyte with many dissociation groups in a molecule. (S.Y.)

  15. Compounded effects of chlorinated ethene inhibition on ecological interactions and population abundance in a Dehalococcoides - Dehalobacter coculture.

    Science.gov (United States)

    Lai, Yenjung; Becker, Jennifer G

    2013-02-05

    The development of rational and effective engineered bioremediation approaches for sites contaminated with chlorinated solvents requires a fundamental understanding of the factors limiting the in situ activity of dehalorespiring bacteria. Frequently, multiple dehalorespiring bacteria are present at contaminated sites, particularly when bioaugmentation is applied. The ecological interactions between different dehalorespiring populations can-along with hydrodynamic and other environmental factors-affect their activity and thus the rates and extent of dehalorespiration. An integrated experimental and modeling approach was used to evaluate the ecological interactions between two hydrogenotrophic, dehalorespiring strains. A dual Monod model of dehalorespiration provided a good fit to the chlorinated ethene concentrations measured in a coculture of Dehalococcoides mccartyi 195 and Dehalobacter restrictus growing on tetrachloroethene (PCE) and excess H(2) in a continuous-flow reactor. Inhibition of dehalorespiration by chlorinated ethenes was previously observed in cultures containing Dehalococcoides or Dehalobacter strains. Therefore, inhibition coefficients were estimated for Dhc. mccartyi 195 and Dhb. restrictus. The inhibition effects of PCE and TCE on VC dechlorination by Dhc. mccartyi 195, and of VC on PCE and TCE dechlorination by Dhb. restrictus, were compounded when these strains were grown in coculture, and dehalorespiring population abundance and survival could be accurately predicted only by incorporating these complex interactions into the dual Monod model.

  16. Developing microbe-plant interactions for applications in plant-growth promotion and disease control, production of useful compounds, remediation, and carbon sequestration

    Energy Technology Data Exchange (ETDEWEB)

    Wu, C.H.; Bernard, S.; Andersen, G.L.; Chen, W.

    2009-03-01

    Interactions between plants and microbes are an integral part of our terrestrial ecosystem. Microbe-plant interactions are being applied in many areas. In this review, we present recent reports of applications in the areas of plant-growth promotion, biocontrol, bioactive compound and biomaterial production, remediation and carbon sequestration. Challenges, limitations and future outlook for each field are discussed.

  17. Do Identical Polar Diatomic Molecules Form Stacked or Linear ...

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 19; Issue 8. Do Identical Polar Diatomic Molecules Form Stacked or Linear Dimers?: Hydrogen Bonding is Not Just Dipole-Dipole Interactions. C W Williams Richard N Zare E Arunan. General Article Volume 19 Issue 8 August 2014 pp 704-712 ...

  18. Thermal entrance effects in a thermoacoustic stacked screen regenerator

    NARCIS (Netherlands)

    Bühler, Simon; wilcox, D; Oosterhuis, Joris; van der Meer, Theodorus H.

    2014-01-01

    Thermoacoustic cryocoolers are of raising interest because they are cost effective and reliable. The underlying heat pumping process occurs in the regenerator, where a sound wave interacts with a solid matrix material. Stacked screens are frequently used to build regenerators for thermoacoustic

  19. Very Weak Signals (VWS detected by stacking method according to different astronomical periodicities (HiCum

    Directory of Open Access Journals (Sweden)

    M. van Ruymbeke

    2007-11-01

    Full Text Available A stacking method to detect very weak signals is introduced in this paper. This method is to stack observed data in different well known periodicities according to the astronomical clock since majority geophysical observations are time based. We validated this method by applying it in four different cases. Interactions behind the observed parameters become obviously after it is stacked in two diurnal and semidiurnal tidal periodical waves. Amplitude and phase variations will be also measurable when a sliding windows stacking is used. This could be an important reference to find precursors before some earthquakes and volcanic events, corresponding to attenuations of medium patterns.

  20. Experimental investigation of the impact of compound-specific dispersion and electrostatic interactions on transient transport and solute breakthrough

    DEFF Research Database (Denmark)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2017-01-01

    -dimensional flow-through setup using pulse injection of multiple tracers (both uncharged and ionic species). Extensive sampling and measurement of solutes' concentrations (∼1500 samples; >3000 measurements) were performed at the outlet of the flow-through setup, at high spatial and temporal resolution....... The experimental results show that compound-specific effects and charge-induced Coulombic interactions are important not only at low velocities and/or for steady state plumes but also for transient transport under high flow velocities. Such effects can lead to a remarkably different behavior of measured...... breakthrough curves also at very high Péclet numbers. To quantitatively interpret the experimental results, we used four modeling approaches: classical advection-dispersion equation (ADE), continuous time random walk (CTRW), dual-domain mass transfer model (DDMT), and a multicomponent ionic dispersion model...

  1. Cyanide and sulfide interact with nitrogenous compounds to influence the relaxation of various smooth muscles

    Energy Technology Data Exchange (ETDEWEB)

    Kruszyna, H.; Kruszyna, R.; Smith, R.P.

    1985-05-01

    Sodium nitroprusside relaxed guinea pig ileum after the segment had been submaximally contracted by either histamine or acetylcholine, intact isolated rabbit gall bladder after submaximal contraction by either acetylcholine or cholecystokinin octapeptide, and rat pulmonary artery helical strips after submaximal contraction with norepinephrine. In each of these cases the relaxation produced by nitroprusside was at least partially reversed by the subsequent addition of excess sodium cyanide. Cyanide, however, in nontoxic concentrations did not reverse the spasmolytic effects of hydroxylamine hydrochloride, sodium azide, nitroglycerin, sodium nitrite, or nitric oxide hemoglobin on guinea pig ileum, nor did cyanide alone in the same concentrations have any effect. The similar interaction between nitroprusside and cyanide on rabbit aortic strips is not dependent on the presence of an intact endothelia cell layer. Also, on rabbit aortic strips and like cyanide, sodium sulfide reversed the spasmolytic effects of azide and hydroxylamine, but it had little or no effect on the relaxation induced by papaverine. Unlike cyanide, however, sulfide augmented the relaxation induced by nitroprusside, and it reversed the effects of nitric oxide hemoglobin, nitroglycerin, and nitrite. A direct chemical reaction between sulfide and nitroprusside may account for the difference between it and cyanide. Although evidence was obtained also for a direct chemical reaction between sulfide and norepinephrine, that reaction does not seem to have played a role in these results.

  2. Chemical compounds from anthropogenic environment and immune evasion mechanisms: potential interactions

    Science.gov (United States)

    Kravchenko, Julia; Corsini, Emanuela; Williams, Marc A.; Decker, William; Manjili, Masoud H.; Otsuki, Takemi; Singh, Neetu; Al-Mulla, Faha; Al-Temaimi, Rabeah; Amedei, Amedeo; Colacci, Anna Maria; Vaccari, Monica; Mondello, Chiara; Scovassi, A. Ivana; Raju, Jayadev; Hamid, Roslida A.; Memeo, Lorenzo; Forte, Stefano; Roy, Rabindra; Woodrick, Jordan; Salem, Hosni K.; Ryan, Elizabeth P.; Brown, Dustin G.; Lowe, Leroy; Lyerly, H.Kim

    2015-01-01

    An increasing number of studies suggest an important role of host immunity as a barrier to tumor formation and progression. Complex mechanisms and multiple pathways are involved in evading innate and adaptive immune responses, with a broad spectrum of chemicals displaying the potential to adversely influence immunosurveillance. The evaluation of the cumulative effects of low-dose exposures from the occupational and natural environment, especially if multiple chemicals target the same gene(s) or pathway(s), is a challenge. We reviewed common environmental chemicals and discussed their potential effects on immunosurveillance. Our overarching objective was to review related signaling pathways influencing immune surveillance such as the pathways involving PI3K/Akt, chemokines, TGF-β, FAK, IGF-1, HIF-1α, IL-6, IL-1α, CTLA-4 and PD-1/PDL-1 could individually or collectively impact immunosurveillance. A number of chemicals that are common in the anthropogenic environment such as fungicides (maneb, fluoxastrobin and pyroclostrobin), herbicides (atrazine), insecticides (pyridaben and azamethiphos), the components of personal care products (triclosan and bisphenol A) and diethylhexylphthalate with pathways critical to tumor immunosurveillance. At this time, these chemicals are not recognized as human carcinogens; however, it is known that they these chemicalscan simultaneously persist in the environment and appear to have some potential interfere with the host immune response, therefore potentially contributing to promotion interacting with of immune evasion mechanisms, and promoting subsequent tumor growth and progression. PMID:26002081

  3. Growth of ligand-target interaction data in ChEMBL is associated with increasing and activity measurement-dependent compound promiscuity.

    Science.gov (United States)

    Hu, Ye; Bajorath, Jürgen

    2012-10-22

    Compounds with high-confidence target annotations and activity measurements in the original and current release of the ChEMBL database have been compared to better understand how the growth of compound activity data might influence the spectrum of ligand-target interactions and the degree of target promiscuity among active compounds. Compared to the original ChEMBL release, a significant increase in the proportion of target promiscuous compounds was observed in the current version. The presence of these compounds led to large-magnitude changes in compound activity-based target and target family relationships and to a reorganization of major target communities. Surprisingly, however, this strong trend toward increasing target promiscuity was largely caused by growth of compounds with exclusive IC(50) measurements. By contrast, compounds with available equilibrium constants, which were also added in large amounts, did not substantially alter compound-based target relationships and notably contribute to increasing target promiscuity. These findings suggest that apparent compound promiscuity is much dependent on experimental conditions under which activities are determined and that care should be taken when evaluating promiscuity and polypharmacology on the basis of assay-dependent activity measurements.

  4. C-SPADE: a web-tool for interactive analysis and visualization of drug screening experiments through compound-specific bioactivity dendrograms.

    Science.gov (United States)

    Ravikumar, Balaguru; Alam, Zaid; Peddinti, Gopal; Aittokallio, Tero

    2017-07-03

    The advent of polypharmacology paradigm in drug discovery calls for novel chemoinformatic tools for analyzing compounds' multi-targeting activities. Such tools should provide an intuitive representation of the chemical space through capturing and visualizing underlying patterns of compound similarities linked to their polypharmacological effects. Most of the existing compound-centric chemoinformatics tools lack interactive options and user interfaces that are critical for the real-time needs of chemical biologists carrying out compound screening experiments. Toward that end, we introduce C-SPADE, an open-source exploratory web-tool for interactive analysis and visualization of drug profiling assays (biochemical, cell-based or cell-free) using compound-centric similarity clustering. C-SPADE allows the users to visually map the chemical diversity of a screening panel, explore investigational compounds in terms of their similarity to the screening panel, perform polypharmacological analyses and guide drug-target interaction predictions. C-SPADE requires only the raw drug profiling data as input, and it automatically retrieves the structural information and constructs the compound clusters in real-time, thereby reducing the time required for manual analysis in drug development or repurposing applications. The web-tool provides a customizable visual workspace that can either be downloaded as figure or Newick tree file or shared as a hyperlink with other users. C-SPADE is freely available at http://cspade.fimm.fi/. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

  5. Development and durability of SOFC stacks

    Energy Technology Data Exchange (ETDEWEB)

    Beeaff, D.; Dinesen, A.R.; Mikkelsen, Lars; Nielsen, Karsten A.; Solvang, M.; Hendriksen, Peter V.

    2004-12-01

    The present project is a part of the Danish SOFC programme, which has the overall aim of establishing a Danish production of SOFC - cells, stacks and systems for economical and environmentally friendly power production. The aim of the present project was to develop and demonstrate (on a small scale, few cells, few thousand hours) a durable, thermally cyclable stack with high performance at 750 deg. C. Good progress towards this target has been made and demonstrated at the level of stack-elements (one cell between two interconnects) or small stacks (3 5 cells). Three different stacks or stack-elements have been operated for periods exceeding 3000 hr. The work has covered development of stack-components (seals, interconnects, coatings, contact layers), establishment of procedures for stack assembly and initiation, and detailed electrical characterisation with the aims of identifying performance limiting factors as well as long term durability. Further, post test investigations have been carried out to identify possible degradation mechanisms. (BA)

  6. Chemical compounds from anthropogenic environment and immune evasion mechanisms: potential interactions.

    Science.gov (United States)

    Kravchenko, Julia; Corsini, Emanuela; Williams, Marc A; Decker, William; Manjili, Masoud H; Otsuki, Takemi; Singh, Neetu; Al-Mulla, Faha; Al-Temaimi, Rabeah; Amedei, Amedeo; Colacci, Anna Maria; Vaccari, Monica; Mondello, Chiara; Scovassi, A Ivana; Raju, Jayadev; Hamid, Roslida A; Memeo, Lorenzo; Forte, Stefano; Roy, Rabindra; Woodrick, Jordan; Salem, Hosni K; Ryan, Elizabeth P; Brown, Dustin G; Bisson, William H; Lowe, Leroy; Lyerly, H Kim

    2015-06-01

    An increasing number of studies suggest an important role of host immunity as a barrier to tumor formation and progression. Complex mechanisms and multiple pathways are involved in evading innate and adaptive immune responses, with a broad spectrum of chemicals displaying the potential to adversely influence immunosurveillance. The evaluation of the cumulative effects of low-dose exposures from the occupational and natural environment, especially if multiple chemicals target the same gene(s) or pathway(s), is a challenge. We reviewed common environmental chemicals and discussed their potential effects on immunosurveillance. Our overarching objective was to review related signaling pathways influencing immune surveillance such as the pathways involving PI3K/Akt, chemokines, TGF-β, FAK, IGF-1, HIF-1α, IL-6, IL-1α, CTLA-4 and PD-1/PDL-1 could individually or collectively impact immunosurveillance. A number of chemicals that are common in the anthropogenic environment such as fungicides (maneb, fluoxastrobin and pyroclostrobin), herbicides (atrazine), insecticides (pyridaben and azamethiphos), the components of personal care products (triclosan and bisphenol A) and diethylhexylphthalate with pathways critical to tumor immunosurveillance. At this time, these chemicals are not recognized as human carcinogens; however, it is known that they these chemicalscan simultaneously persist in the environment and appear to have some potential interfere with the host immune response, therefore potentially contributing to promotion interacting with of immune evasion mechanisms, and promoting subsequent tumor growth and progression. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

  7. Photoreactivity of biologically active compounds. XVII. Influence of solvent interactions on spectroscopic properties and photostability of primaquine.

    Science.gov (United States)

    Kristensen, S

    2005-06-01

    The influence of solvent interactions on absorption properties, fluorescence properties (emission spectra and quantum yields) and relative photochemical degradation rates of primaquine has been investigated, in order to evaluate photochemical reaction mechanisms and chemical properties of the compound. The first absorption band (n - pi*) of primaquine is only slightly dependent on properties of the solvent, which can be ascribed to a strong, intramolecular hydrogen bond between the quinoline N and amine group in the ground state (S0). Amphiprotic solvents with predominant acidic properties (water and methanol) will to some extent stabilize the molecule and initiate hypsochromic shifts of the absorption band by protic interactions, while the other solvents (amphiprotic, basic and neutral) influence the absorption spectrum by general solvent effects only. The excited singlet (S1*) state of primaquine interacts more efficiently with the surrounding solvents than the S0 state, as evaluated by the Stokes shifts. The pKa value of the quinoline N is likely to increase in the S1* state, which is important for the observed protic interactions with amphiprotic solvents of predominant acidity. Specific solvent effects are highly important for the efficiency of the fluorescence (fluorescence quantum yields; phi f). The fluorescence is quenched by amphiprotic solvents, likely due to a rupture of the intramolecular bond and protonation of the quinolone N, and enhanced by polar, non-protic (basic) solvents, probably by stabilization of the delta intramolecular hydrogen bond. The observed photochemical degradation rates of primaquine in amphiprotic media are positively correlated with phi f, indicating that the photochemical degradation of primaquine is dependent on intramolecular hydrogen bonding and non protonated lone-pair electrons at the quinoline N. The intramolecular ring-formation with a subsequent increased lipophilic character and (lack of) interactions with the

  8. Magneto-optical properties of ABC-stacked trilayer graphene.

    Science.gov (United States)

    Lin, Yi-Ping; Lin, Chiun-Yan; Ho, Yen-Hung; Do, Thi-Nga; Lin, Ming-Fa

    2015-06-28

    The generalized tight-binding model is developed to investigate the magneto-optical absorption spectra of ABC-stacked trilayer graphene. The absorption peaks can be classified into nine categories of inter-Landau-level optical excitations, including three intra-group and six inter-group ones. Most of them belong to the twin-peak structures because of the asymmetric Landau level spectrum. The threshold absorption peak alone comes from a certain excitation channel, and its frequency is associated with a specific interlayer atomic interaction. The Landau-level anticrossings cause extra absorption peaks. Moreover, a simple relationship between the absorption frequency and the field strength is absent. The magneto-optical properties of ABC-stacked trilayer graphene are totally different from those of AAA- and ABA-stacked ones, such as the number, intensity and frequency of absorption peaks.

  9. Rhythmic ring–ring stacking drives the circadian oscillator clockwise

    Science.gov (United States)

    Chang, Yong-Gang; Tseng, Roger; Kuo, Nai-Wei; LiWang, Andy

    2012-01-01

    The oscillator of the circadian clock of cyanobacteria is composed of three proteins, KaiA, KaiB, and KaiC, which together generate a self-sustained ∼24-h rhythm of phosphorylation of KaiC. The mechanism propelling this oscillator has remained elusive, however. We show that stacking interactions between the CI and CII rings of KaiC drive the transition from the phosphorylation-specific KaiC–KaiA interaction to the dephosphorylation-specific KaiC–KaiB interaction. We have identified the KaiB-binding site, which is on the CI domain. This site is hidden when CI domains are associated as a hexameric ring. However, stacking of the CI and CII rings exposes the KaiB-binding site. Because the clock output protein SasA also binds to CI and competes with KaiB for binding, ring stacking likely regulates clock output. We demonstrate that ADP can expose the KaiB-binding site in the absence of ring stacking, providing an explanation for how it can reset the clock. PMID:22967510

  10. Rhythmic ring-ring stacking drives the circadian oscillator clockwise.

    Science.gov (United States)

    Chang, Yong-Gang; Tseng, Roger; Kuo, Nai-Wei; LiWang, Andy

    2012-10-16

    The oscillator of the circadian clock of cyanobacteria is composed of three proteins, KaiA, KaiB, and KaiC, which together generate a self-sustained ∼24-h rhythm of phosphorylation of KaiC. The mechanism propelling this oscillator has remained elusive, however. We show that stacking interactions between the CI and CII rings of KaiC drive the transition from the phosphorylation-specific KaiC-KaiA interaction to the dephosphorylation-specific KaiC-KaiB interaction. We have identified the KaiB-binding site, which is on the CI domain. This site is hidden when CI domains are associated as a hexameric ring. However, stacking of the CI and CII rings exposes the KaiB-binding site. Because the clock output protein SasA also binds to CI and competes with KaiB for binding, ring stacking likely regulates clock output. We demonstrate that ADP can expose the KaiB-binding site in the absence of ring stacking, providing an explanation for how it can reset the clock.

  11. Lightweight Stacks of Direct Methanol Fuel Cells

    Science.gov (United States)

    Narayanan, Sekharipuram; Valdez, Thomas

    2004-01-01

    An improved design concept for direct methanol fuel cells makes it possible to construct fuel-cell stacks that can weigh as little as one-third as much as do conventional bipolar fuel-cell stacks of equal power. The structural-support components of the improved cells and stacks can be made of relatively inexpensive plastics. Moreover, in comparison with conventional bipolar fuel-cell stacks, the improved fuel-cell stacks can be assembled, disassembled, and diagnosed for malfunctions more easily. These improvements are expected to bring portable direct methanol fuel cells and stacks closer to commercialization. In a conventional bipolar fuel-cell stack, the cells are interspersed with bipolar plates (also called biplates), which are structural components that serve to interconnect the cells and distribute the reactants (methanol and air). The cells and biplates are sandwiched between metal end plates. Usually, the stack is held together under pressure by tie rods that clamp the end plates. The bipolar stack configuration offers the advantage of very low internal electrical resistance. However, when the power output of a stack is only a few watts, the very low internal resistance of a bipolar stack is not absolutely necessary for keeping the internal power loss acceptably low.

  12. Experimental investigation of the impact of compound-specific dispersion and electrostatic interactions on transient transport and solute breakthrough

    Science.gov (United States)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2017-02-01

    This study investigates the effects of compound-specific diffusion/dispersion and electrochemical migration on transient solute transport in saturated porous media. We conducted laboratory bench-scale experiments, under advection-dominated regimes (seepage velocity: 0.5, 5, 25 m/d), in a quasi two-dimensional flow-through setup using pulse injection of multiple tracers (both uncharged and ionic species). Extensive sampling and measurement of solutes' concentrations (˜1500 samples; >3000 measurements) were performed at the outlet of the flow-through setup, at high spatial and temporal resolution. The experimental results show that compound-specific effects and charge-induced Coulombic interactions are important not only at low velocities and/or for steady state plumes but also for transient transport under high flow velocities. Such effects can lead to a remarkably different behavior of measured breakthrough curves also at very high Péclet numbers. To quantitatively interpret the experimental results, we used four modeling approaches: classical advection-dispersion equation (ADE), continuous time random walk (CTRW), dual-domain mass transfer model (DDMT), and a multicomponent ionic dispersion model. The latter is based on the multicomponent formulation of coupled diffusive/dispersive fluxes and was used to describe and explain the electrostatic effects of charged species. Furthermore, we determined experimentally the temporal profiles of the flux-related dilution index. This metric of mixing, used in connection with the traditional solute breakthrough curves, proved to be useful to correctly distinguish between plume spreading and mixing, particularly for the cases in which the sole analysis of integrated concentration breakthrough curves may lead to erroneous interpretation of plume dilution.

  13. Solid Oxide Fuel Cell Stack Diagnostics

    DEFF Research Database (Denmark)

    Mosbæk, Rasmus Rode; Barfod, Rasmus Gottrup

    . An operating stack is subject to compositional gradients in the gaseous reactant streams, and temperature gradients across each cell and across the stack, which complicates detailed analysis. Several experimental stacks from Topsoe Fuel Cell A/S were characterized using Electrochemical Impedance Spectroscopy...... (EIS). The stack measurement geometry was optimized for EIS by careful selection of the placement of current feeds and voltage probes in order to minimize measurement errors. It was demonstrated that with the improved placement of current feeds and voltage probes it is possible to separate the loss...... in the hydrogen fuel gas supplied to the stack. EIS was used to examine the long-term behavior and monitor the evolution of the impedance of each of the repeating units and the whole stack. The observed impedance was analyzed in detail for one of the repeating units and the whole stack and the losses reported...

  14. Exploring the interaction of N/S compounds with a dicopper center: tyrosinase inhibition and model studies.

    Science.gov (United States)

    Buitrago, Elina; Vuillamy, Alexandra; Boumendjel, Ahcène; Yi, Wei; Gellon, Gisèle; Hardré, Renaud; Philouze, Christian; Serratrice, Guy; Jamet, Hélène; Réglier, Marius; Belle, Catherine

    2014-12-15

    Tyrosinase (Ty) is a copper-containing enzyme widely present in plants, bacteria, and humans, where it is involved in biosynthesis of melanin-type pigments. Development of Ty inhibitors is an important approach to control the production and the accumulation of pigments in living systems. In this paper, we focused our interest in phenylthiourea (PTU) and phenylmethylene thiosemicarbazone (PTSC) recognized as inhibitors of tyrosinase by combining enzymatic studies and coordination chemistry methods. Both are efficient inhibitors of mushroom tyrosinase and they can be considered mainly as competitive inhibitors. Computational studies verify that PTSC and PTU inhibitors interact with the metal center of the active site. The KIC value of 0.93 μM confirms that PTSC is a much more efficient inhibitor than PTU, for which a KIC value of 58 μM was determined. The estimation of the binding free energies inhibitors/Ty confirms the high inhibitor efficiency of PTSC. Binding studies of PTSC along with PTU to a dinuclear copper(II) complex ([Cu2(μ-BPMP)(μ-OH)](ClO4)2 (1); H-BPMP = 2,6-bis-[bis(2-pyridylmethyl)aminomethyl]-4-methylphenol) known to be a structural and functional model for the tyrosinase catecholase activity, have been performed. Interactions of the compounds with the dicopper model complex 1 were followed by spectrophotometry and electrospray ionization (ESI). The molecular structure of 1-PTSC and 1-PTU adducts were determined by single-crystal X-ray diffraction analysis showing for both an unusual bridging binding mode on the dicopper center. These results reflect their adaptable binding mode in relation to the geometry and chelate size of the dicopper center.

  15. From caffeine to fish waste: amine compounds present in food and drugs and their interactions with primary amine oxidase.

    LENUS (Irish Health Repository)

    Olivieri, Aldo

    2011-07-01

    Tissue bound primary amine oxidase (PrAO) and its circulating plasma-soluble form are involved, through their catalytic activity, in important cellular roles, including the adhesion of lymphocytes to endothelial cells during various inflammatory conditions, the regulation of cell growth and maturation, extracellular matrix deposition and maturation and glucose transport. PrAO catalyses the oxidative deamination of several xenobiotics and has been linked to vascular toxicity, due to the generation of cytotoxic aldehydes. In this study, a series of amines and aldehydes contained in food and drugs were tested via a high-throughput assay as potential substrates or inhibitors of bovine plasma PrAO. Although none of the compounds analyzed were found to be substrates for the enzyme, a series of molecules, including caffeine, the antidiabetics phenformin and tolbutamide and the antimicrobial pentamidine, were identified as PrAO inhibitors. Although the inhibition observed was in the millimolar and micromolar range, these data show that further work will be necessary to elucidate whether the interaction of ingested biogenic or xenobiotic amines with PrAO might adversely affect its biological roles.

  16. Solvation of apolar compounds in protic ionic liquids: the non-synergistic effect of electrostatic interactions and hydrogen bonds.

    Science.gov (United States)

    Sedov, I A; Magsumov, T I; Salikov, T M; Solomonov, B N

    2017-09-27

    The solvation properties of protic ionic liquids such as alkylammonium salts are still virtually uncharacterized. Both electrostatic interactions between charged particles and hydrogen bond networks in a solvent are known to hinder the solubility of apolar species. Protic ionic liquids can be a priori expected to dissolve hydrocarbons worse than aprotic ionic liquids which do not form hydrogen bonds between the ions. We measured the limiting activity coefficients of several alkanes and alkylbenzenes in propylammonium and butylammonium nitrates at 298 K. Surprisingly, we observed the tendency of higher solubility than for the same compounds in aprotic ionic liquids with a similar molar volume. The calculations of the excess Gibbs free energies using test particle insertions into the snapshots of molecular dynamics trajectories reproduced lower values in protic rather than in aprotic ionic liquids for both methane molecules and hard sphere solutes. This can be explained by the favorable solvation of apolar species in the apolar domain of nanostructured PILs. For the first time, we point out at the essential difference between the solvation properties of two types of ionic liquids and prove that it arises from the cavity formation term.

  17. Studying the interaction between three synthesized heterocyclic sulfonamide compounds with hemoglobin by spectroscopy and molecular modeling techniques.

    Science.gov (United States)

    Naeeminejad, Samane; Assaran Darban, Reza; Beigoli, Sima; Saberi, Mohammad Reza; Chamani, Jamshidkhan

    2017-11-01

    The interaction between synthesized heterocyclic benzene sulfonamide compounds, N-(7-benzyl-56-biphenyl-2m-tolyl-7H-pyrrolo[23-d]pyrimidine-4-yl)-benzene sulfonamide (HBS 1 ), N-(7-benzyl-56-biphenyl-2-m-tolyl-7H-pyrrolo[23-d] pyrimidine-4-yl)-4-methyl- benzene sulfonamide (HBS 2 ), and N-(7-benzyl-56-biphenyl-2-m-tolyl-7H-pyrrolo[23-d]pyrimidine-4-yl)-4-chloro-benzene sulfonamide (HBS 3 ) with Hb was studied by fluorescence quenching, zeta potentional, circular dichroism, and molecular modeling techniques. The fluorescence spectroscopy experiments were performed in order to study the conformational changes, possibly due to a discrete reorganization of Trp residues during binding between HBS derivatives and Hb. The variation of the K SV value suggested that hydrophobic and electrostatic interactions were the predominant intermolecular forces stabilizing the complex. The K SV1 ans K SV2 values of HBS derivatives with Hb are .6 × 10 13 and 3 × 10 13  M -1 for Hb-HBS 1 , 1 × 10 13 and 4 × 10 13  M -1 for Hb-HBS 2 , .9 × 10 13 , and 6 × 10 13  M -1 for Hb-HBS 3 , respectively. The molecular distances between Hb and HBS derivatives in binary and ternary systems were estimated according to Förster's theory of dipole-dipole non-radiation energy transfer. The quantitative analysis data of circular dichroism spectra demonstrated that the binding of the three HBS derivatives to Hb induced conformational changes in Hb. Changes in the zeta potential of the Hb-HBS derivatives complexes demonstrated a hydrophobic adsorption of the anionic ligand onto the surface of Hb as well as both electrostatic and hydrophobic adsorption in the case of the complex. The modeling data thus confirmed the experimental results. This study is expected to provide important insight into the interaction of Hb with three HBS derivatives to use in various toxicological and therapeutic processes.

  18. Vertically stacked nanocellulose tactile sensor.

    Science.gov (United States)

    Jung, Minhyun; Kim, Kyungkwan; Kim, Bumjin; Lee, Kwang-Jae; Kang, Jae-Wook; Jeon, Sanghun

    2017-11-16

    Paper-based electronic devices are attracting considerable attention, because the paper platform has unique attributes such as flexibility and eco-friendliness. Here we report on what is claimed to be the firstly fully integrated vertically-stacked nanocellulose-based tactile sensor, which is capable of simultaneously sensing temperature and pressure. The pressure and temperature sensors are operated using different principles and are stacked vertically, thereby minimizing the interference effect. For the pressure sensor, which utilizes the piezoresistance principle under pressure, the conducting electrode was inkjet printed on the TEMPO-oxidized-nanocellulose patterned with micro-sized pyramids, and the counter electrode was placed on the nanocellulose film. The pressure sensor has a high sensitivity over a wide range (500 Pa-3 kPa) and a high durability of 10 4 loading/unloading cycles. The temperature sensor combines various materials such as poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate) (PEDOT:PSS), silver nanoparticles (AgNPs) and carbon nanotubes (CNTs) to form a thermocouple on the upper nanocellulose layer. The thermoelectric-based temperature sensors generate a thermoelectric voltage output of 1.7 mV for a temperature difference of 125 K. Our 5 × 5 tactile sensor arrays show a fast response, negligible interference, and durable sensing performance.

  19. Kinetics and Thermodynamics Interaction Between Bentonite Inserted Organometallic Compounds [Cr3O(OOCH)6(H2O)3](NO3) With Methylene Blue Dye In Aqueous Medium

    Science.gov (United States)

    Mohadi, Risfidian; Nardo Purba, Radja; Rohendi, Dedi; Lesbani, Aldes

    2018-01-01

    Bentonite insertion was conducted with organometallic compound [Cr3O(OOCH)6(H2O)3](NO3)) and then tested its stability at various pH, then its interaction between bentonite inserted by organometallic compound [Cr3O(OOCH)6(H2O)3] with methylene blue dye. The interaction between organometallic compound [Cr3O(OOCH)6(H2O)3] with methylene blue showed an adsorption rate of 15.49 min-1 at the concentration of methylene blue 25 mg/L. The adsorption capacity and adsorption energy (ΔE) were 2.74 mol/g and 5.58 kJ/mol, respectively, at temperature 70 °C where visible trends of enthalpy (ΔH°) and entropy (ΔS°) values decrease with increasing concentration of methylene blue.

  20. Hydrophilic interaction chromatography coupled matrix assisted laser desorption/ionization mass spectrometry for molecular analysis of organic compounds in medicines, tea, and coffee

    KAUST Repository

    Wang, Renqi

    2013-01-01

    Natural occurring organic compounds from food, natural organic matter, as well as metabolic products have received intense attention in current chemical and biological studies. Examination of unknown compounds in complex sample matrices is hampered by the limited choices for data readout and molecular elucidation. Herein, we report a generic method of hydrophilic interaction chromatography (HILIC) coupled with matrix assisted laser desorption/ionization mass spectrometry (MALDI-MS) for the rapid characterization of ingredients in pharmaceutical compounds, tea, and coffee. The analytes were first fractionated using a cationic HILIC column prior to MALDI-MS analyses. It was found that the retention times of a compound arising from different samples were consistent under the same conditions. Accordingly, molecules can be readily characterized by both the mass and chromatographic retention time. The retention behaviors of acidic and basic compounds on the cationic HILIC column were found to be significantly influenced by the pH of mobile phases, whereas neutral compounds depicted a constant retention time at different pH. The general HILIC-MALDI-MS method is feasible for fast screening of naturally occurring organic compounds. A series of homologs can be determined if they have the same retention behavior. Their structural features can be elucidated by considering their mass differences and hydrophilic properties as determined by HILIC chromatogram. © 2013 The Royal Society of Chemistry.

  1. Flexural characteristics of a stack leg

    International Nuclear Information System (INIS)

    Cook, J.

    1979-06-01

    A 30 MV tandem Van de Graaff accelerator is at present under construction at Daresbury Laboratory. The insulating stack of the machine is of modular construction, each module being 860 mm in length. Each live section stack module contains 8 insulating legs mounted between bulkhead rings. The design, fabrication (from glass discs bonded to stainless steel discs using an epoxy film adhesive) and testing of the stack legs is described. (U.K.)

  2. Hydrogen Embrittlement And Stacking-Fault Energies

    Science.gov (United States)

    Parr, R. A.; Johnson, M. H.; Davis, J. H.; Oh, T. K.

    1988-01-01

    Embrittlement in Ni/Cu alloys appears related to stacking-fault porbabilities. Report describes attempt to show a correlation between stacking-fault energy of different Ni/Cu alloys and susceptibility to hydrogen embrittlement. Correlation could lead to more fundamental understanding and method of predicting susceptibility of given Ni/Cu alloy form stacking-fault energies calculated from X-ray diffraction measurements.

  3. Development of an Interaction Assay between Single-Stranded Nucleic Acids Trapped with Silica Particles and Fluorescent Compounds

    Directory of Open Access Journals (Sweden)

    R. Maeda

    2012-09-01

    Full Text Available Biopolymers are easily denatured by heating, a change in pH or chemical substances when they are immobilized on a substrate. To prevent denaturation of biopolymers, we developed a method to trap a polynucleotide on a substrate by hydrogen bonding using silica particles with surfaces modified by aminoalkyl chains ([A-AM silane]/SiO2. [A-AM silane]/SiO2 was synthesized by silane coupling reaction of N-2-(aminoethyl-3-aminopropyltrimethoxysilane (A-AM silane with SiO2 particles with a diameter of 5 μm at 100 °C for 20 min. The surface chemical structure of [A-AM silane]/SiO2 was characterized by Fourier transform infrared spectroscopy and molecular orbital calculations. The surface of the silica particles was modified with A-AM silane and primary amine groups were formed. [A-AM silane]/SiO2 was trapped with single-stranded nucleic acids [(Poly-X; X = A (adenine, G (guanine and C (cytosine] in PBS solution at 37 °C for 1 h. The single-stranded nucleic acids were trapped on the surface of the [A-AM silane]/SiO2 by hydrogen bonding to form conjugated materials. The resulting complexes were further conjugated by derivatives of acridine orange (AO as fluorescent labels under the same conditions to form [AO:Poly-X:A-AM silane]/SiO2 complexes. Changes in the fluorescence intensity of these complexes originating from interactions between the single-stranded nucleic acid and aromatic compounds were also evaluated. The change in intensity displayed the order [AO: Poly-G: A-AM silane]/SiO2 > [AO:Poly-A:A-AM silane]/SiO2 >> [AO:Poly-C:A-AM silane]/SiO2. This suggests that the single-stranded nucleic acids conjugated with aminoalkyl chains on the surfaces of SiO2 particles and the change in fluorescence intensity reflected the molecular interaction between AO and the nucleic-acid base in a polynucleotide.

  4. Structure of a stacked anthraquinone–DNA complex

    Science.gov (United States)

    De Luchi, Daniela; Usón, Isabel; Wright, Glenford; Gouyette, Catherine; Subirana, Juan A.

    2010-01-01

    The crystal structure of the telomeric sequence d(UBrAGG) interacting with an anthraquinone derivative has been solved by MAD. In all previously studied complexes of intercalating drugs, the drug is usually sandwiched between two DNA base pairs. Instead, the present structure looks like a crystal of stacked anthraquinone molecules in which isolated base pairs are intercalated. Unusual base pairs are present in the structure, such as G·G and A·UBr reverse Watson–Crick base pairs. PMID:20823516

  5. Stacks of SPS Dipole Magnets

    CERN Multimedia

    1974-01-01

    Stacks of SPS Dipole Magnets ready for installation in the tunnel. The SPS uses a separated function lattice with dipoles for bending and quadrupoles for focusing. The 6.2 m long normal conducting dipoles are of H-type with coils that are bent-up at the ends. There are two types, B1 (total of 360) and B2 (384). Both are for a maximum field of 1.8 Tesla and have the same outer dimensions (450x800 mm2 vxh) but with different gaps (B1: 39x129 mm2, B2: 52x92 mm2) tailored to the beam size. The yoke, made of 1.5 mm thick laminations, consists of an upper and a lower half joined together in the median plane once the coils have been inserted.

  6. California dreaming?[PEM stacks

    Energy Technology Data Exchange (ETDEWEB)

    Crosse, J.

    2002-06-01

    Hyundai's Santa Fe FCEV will be on sale by the end of 2002. Hyundai uses PEM stacks that are manufactured by International Fuel Cells (IFC), a division of United Technologies. Santa Fe is equipped with a 65 kW electric powertrain of Enova systems and Shell's new gasoline reformer called Hydrogen Source. Eugene Jang, Senior Engineer - Fuel Cell and Materials at Hyundai stated that the compressor related losses on IFC system are below 3%. The maximum speed offered by the vehicle is estimated as 123km/hr while the petrol equivalent fuel consumption is quoted between 5.6L/100 km and 4.8L/100 km. Santa Fe is a compact vehicle offering better steering response and a pleasant drive. (author)

  7. Interaction of bispyridinium compounds with the orthosteric binding site of human α7 and Torpedo californica nicotinic acetylcholine receptors (nAChRs).

    Science.gov (United States)

    Niessen, K V; Tattersall, J E H; Timperley, C M; Bird, M; Green, C; Seeger, T; Thiermann, H; Worek, F

    2011-09-25

    Standard treatment of poisoning by organophosphorus (OP) nerve agents with atropine and oximes lacks efficacy with different nerve agents. A direct pharmacologic intervention at the nicotinic acetylcholine receptor (nAChR) was proposed as an alternative therapeutic approach and promising in vitro and in vivo results were obtained with the bispyridinium compound SAD-128. In addition, a number of SAD-128 analogues improved neuromuscular transmission of soman-poisoned diaphragms in vitro. We investigated the interaction of six of these SAD-128 analogues with the orthosteric binding site of the human α7 nAChR and Torpedo californica nAChR with a high-throughput assay using radioactive ligands. The determined affinity constants indicate a weak interaction of three test compounds (K(i) in the micromolar range) with both receptors, but no interaction could be recorded with the other three test compounds. The six SAD-128 analogues showed a low intrinsic inhibitory potency with human acetylcholinesterase (IC₅₀ > 400 μM). In conclusion, the results of the present study do not indicate a correlation between the affinity to the orthosteric binding site and the functional improvement of neuromuscular transmission and it is assumed that other mechanisms contribute to the therapeutic effect of the tested compounds. Crown Copyright © 2011. Published by Elsevier Ireland Ltd. All rights reserved.

  8. In Search of the E. coli Compounds that Change the Antibiotic Production Pattern of Streptomyces coelicolor During Inter-species Interaction.

    Science.gov (United States)

    Mavituna, Ferda; Luti, Khalid Jaber Kadhum; Gu, Lixing

    2016-08-01

    The aim of this work was to investigate the interaction between E.coli and Streptomyces coelicolor A3 (2) for the increased production of undecylprodigiosin and identify the E. coli actives mediating this inter-species interaction. The antibiotics of interest were the red-pigmented undecylprodigiosin and blue-pigmented actinorhodin. Pure cultures of S. coelicolor in a defined medium produced higher concentrations of actinorhodin compared to those of undecylprodigiosin. The latter however, is more important due to its immunosuppressive and antitumor properties. As a strategy to increase undecylprodigiosin production, we added separately, live cells and heat-killed cells of E. coli C600, and the cell-free supernatant of E. coli culture to S. coelicolor cultures in shake flasks. The interaction with live cells of E. coli altered the antibiotic production pattern and undecylprodigiosin production was enhanced by 3.5-fold compared to the pure cultures of S. coelicolor and actinorhodin decreased by 15-fold. The heat-killed cells of E. coli however, had no effect on antibiotic production. In all cases, growth and glucose consumption of S. coelicolor remained almost the same as those observed in the pure culture indicating that the changes in antibiotic production were not due to nutritional stress. Results with cell-free supernatant of E. coli culture indicated that the interaction between S. coelicolor and E. coli was mediated via diffusible molecule(s). Using a set of extraction procedures and agar-well diffusion bioassays, we isolated and preliminarily identified a class of compounds. For the preliminary verification, we added the compound which was the common chemical structural moiety in this class of compounds to the pure S. coelicolor cultures. We observed similar effects on antibiotic production as with the live E. coli cells and their supernatant indicating that this class of compounds secreted by E. coli indeed could act as actives during interspecies

  9. Stacking technology for a space constrained microsystem

    DEFF Research Database (Denmark)

    Heschel, Matthias; Kuhmann, Jochen Friedrich; Bouwstra, Siebe

    1998-01-01

    In this paper we present a stacking technology for an integrated packaging of an intelligent transducer which is formed by a micromachined silicon transducer and an integrated circuit chip. Transducer and circuitry are stacked on top of each other with an intermediate chip in between. The bonding...

  10. Vector Fields and Flows on Differentiable Stacks

    DEFF Research Database (Denmark)

    A. Hepworth, Richard

    2009-01-01

    This paper introduces the notions of vector field and flow on a general differentiable stack. Our main theorem states that the flow of a vector field on a compact proper differentiable stack exists and is unique up to a uniquely determined 2-cell. This extends the usual result on the existence...... of vector fields....

  11. 40 CFR 61.44 - Stack sampling.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 8 2010-07-01 2010-07-01 false Stack sampling. 61.44 Section 61.44 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL... Firing § 61.44 Stack sampling. (a) Sources subject to § 61.42(b) shall be continuously sampled, during...

  12. Learning OpenStack networking (Neutron)

    CERN Document Server

    Denton, James

    2014-01-01

    If you are an OpenStack-based cloud operator with experience in OpenStack Compute and nova-network but are new to Neutron networking, then this book is for you. Some networking experience is recommended, and a physical network infrastructure is required to provide connectivity to instances and other network resources configured in the book.

  13. Project W-420 stack monitoring system upgrades

    International Nuclear Information System (INIS)

    CARPENTER, K.E.

    1999-01-01

    This project will execute the design, procurement, construction, startup, and turnover activities for upgrades to the stack monitoring system on selected Tank Waste Remediation System (TWRS) ventilation systems. In this plan, the technical, schedule, and cost baselines are identified, and the roles and responsibilities of project participants are defined for managing the Stack Monitoring System Upgrades, Project W-420

  14. On the "stacking fault" in copper

    NARCIS (Netherlands)

    Fransens, J.R.; Pleiter, F

    2003-01-01

    The results of a perturbed gamma-gamma angular correlations experiment on In-111 implanted into a properly cut single crystal of copper show that the defect known in the literature as "stacking fault" is not a planar faulted loop but a stacking fault tetrahedron with a size of 10-50 Angstrom.

  15. Studies on the π-π stacking features of imidazole units present in a series of 5-amino-1-alkylimidazole-4-carboxamides

    Science.gov (United States)

    Ray, Sibdas; Das, Aniruddha

    2015-06-01

    Reaction of 2-ethoxymethyleneamino-2-cyanoacetamide with primary alkyl amines in acetonitrile solvent affords 1-substituted-5-aminoimidazole-4-carboxamides. Single crystal X-ray diffraction studies of these imidazole compounds show that there are both anti-parallel and syn-parallel π-π stackings between two imidazole units in parallel-displaced (PD) conformations and the distance between two π-π stacked imidazole units depends mainly on the anti/ syn-parallel nature and to some extent on the alkyl group attached to N-1 of imidazole; molecules with anti-parallel PD-stacking arrangements of the imidazole units have got vertical π-π stacking distance short enough to impart stabilization whereas the imidazole unit having syn-parallel stacking arrangement have got much larger π-π stacking distances. DFT studies on a pair of anti-parallel imidazole units of such an AICA lead to curves for 'π-π stacking stabilization energy vs. π-π stacking distance' which have got similarity with the 'Morse potential energy diagram for a diatomic molecule' and this affords to find out a minimum π-π stacking distance corresponding to the maximum stacking stabilization energy between the pair of imidazole units. On the other hand, a DFT calculation based curve for 'π-π stacking stabilization energy vs. π-π stacking distance' of a pair of syn-parallel imidazole units is shown to have an exponential nature.

  16. Status of MCFC stack technology at IHI

    Energy Technology Data Exchange (ETDEWEB)

    Hosaka, M.; Morita, T.; Matsuyama, T.; Otsubo, M. [Ishikawajima-Harima Heavy Industries Co., Ltd., Tokyo (Japan)

    1996-12-31

    The molten carbonate fuel cell (MCFC) is a promising option for highly efficient power generation possible to enlarge. IHI has been studying parallel flow MCFC stacks with internal manifolds that have a large electrode area of 1m{sup 2}. IHI will make two 250 kW stacks for MW plant, and has begun to make cell components for the plant. To improve the stability of stack, soft corrugated plate used in the separator has been developed, and a way of gathering current from stacks has been studied. The DC output potential of the plant being very high, the design of electric insulation will be very important. A 20 kW short stack test was conducted in 1995 FY to certificate some of the improvements and components of the MW plant. These activities are presented below.

  17. Research and Development of Fully Automatic Alien Smoke Stack and Packaging System

    Science.gov (United States)

    Yang, Xudong; Ge, Qingkuan; Peng, Tao; Zuo, Ping; Dong, Weifu

    2017-12-01

    The problem of low efficiency of manual sorting packaging for the current tobacco distribution center, which developed a set of safe efficient and automatic type of alien smoke stack and packaging system. The functions of fully automatic alien smoke stack and packaging system adopt PLC control technology, servo control technology, robot technology, image recognition technology and human-computer interaction technology. The characteristics, principles, control process and key technology of the system are discussed in detail. Through the installation and commissioning fully automatic alien smoke stack and packaging system has a good performance and has completed the requirements for shaped cigarette.

  18. Thermodynamic and critical properties of an antiferromagnetically stacked triangular Ising antiferromagnet in a field

    Science.gov (United States)

    Žukovič, M.; Borovský, M.; Bobák, A.

    2018-05-01

    We study a stacked triangular lattice Ising model with both intra- and inter-plane antiferromagnetic interactions in a field, by Monte Carlo simulation. We find only one phase transition from a paramagnetic to a partially disordered phase, which is of second order and 3D XY universality class. At low temperatures we identify two highly degenerate phases: at smaller (larger) fields the system shows long-range ordering in the stacking direction (within planes) but not in the planes (stacking direction). Nevertheless, crossovers to these phases do not have a character of conventional phase transitions but rather linear-chain-like excitations.

  19. A cross-stacked plasmonic nanowire network for high-contrast femtosecond optical switching.

    Science.gov (United States)

    Lin, Yuanhai; Zhang, Xinping; Fang, Xiaohui; Liang, Shuyan

    2016-01-21

    We report an ultrafast optical switching device constructed by stacking two layers of gold nanowires into a perpendicularly crossed network, which works at a speed faster than 280 fs with an on/off modulation depth of about 22.4%. The two stacks play different roles in enhancing consistently the optical switching performance due to their different dependence on the polarization of optical electric fields. The cross-plasmon resonance based on the interaction between the perpendicularly stacked gold nanowires and its Fano-coupling with Rayleigh anomaly is the dominant mechanism for such a high-contrast optical switching device.

  20. Vadose zone attenuation of organic compounds at a crude oil spill site - Interactions between biogeochemical reactions and multicomponent gas transport

    Science.gov (United States)

    Molins, S.; Mayer, K.U.; Amos, R.T.; Bekins, B.A.

    2010-01-01

    Contaminant attenuation processes in the vadose zone of a crude oil spill site near Bemidji, MN have been simulated with a reactive transport model that includes multicomponent gas transport, solute transport, and the most relevant biogeochemical reactions. Dissolution and volatilization of oil components, their aerobic and anaerobic degradation coupled with sequential electron acceptor consumption, ingress of atmospheric O2, and the release of CH4 and CO2 from the smear zone generated by the floating oil were considered. The focus of the simulations was to assess the dynamics between biodegradation and gas transport processes in the vadose zone, to evaluate the rates and contributions of different electron accepting processes towards vadose zone natural attenuation, and to provide an estimate of the historical mass loss. Concentration distributions of reactive (O2, CH4, and CO2) and non-reactive (Ar and N2) gases served as key constraints for the model calibration. Simulation results confirm that as of 2007, the main degradation pathway can be attributed to methanogenic degradation of organic compounds in the smear zone and the vadose zone resulting in a contaminant plume dominated by high CH4 concentrations. In accordance with field observations, zones of volatilization and CH4 generation are correlated to slightly elevated total gas pressures and low partial pressures of N2 and Ar, while zones of aerobic CH4 oxidation are characterized by slightly reduced gas pressures and elevated concentrations of N2 and Ar. Diffusion is the most significant transport mechanism for gases in the vadose zone; however, the simulations also indicate that, despite very small pressure gradients, advection contributes up to 15% towards the net flux of CH4, and to a more limited extent to O2 ingress. Model calibration strongly suggests that transfer of biogenically generated gases from the smear zone provides a major control on vadose zone gas distributions and vadose zone carbon

  1. In silico investigation into the interactions between murine 5-HT3 receptor and the principle active compounds of ginger (Zingiber officinale).

    Science.gov (United States)

    Lohning, Anna E; Marx, Wolfgang; Isenring, Liz

    2016-11-01

    Gingerols and shogaols are the primary non-volatile actives within ginger (Zingiber officinale). These compounds have demonstrated in vitro to exert 5-HT 3 receptor antagonism which could benefit chemotherapy-induced nausea and vomiting (CINV). The site and mechanism of action by which these compounds interact with the 5-HT 3 receptor is not fully understood although research indicates they may bind to a currently unidentified allosteric binding site. Using in silico techniques, such as molecular docking and GRID analysis, we have characterized the recently available murine 5-HT 3 receptor by identifying sites of strong interaction with particular functional groups at both the orthogonal (serotonin) site and a proposed allosteric binding site situated at the interface between the transmembrane region and the extracellular domain. These were assessed concurrently with the top-scoring poses of the docked ligands and included key active gingerols, shogaols and dehydroshogaols as well as competitive antagonists (e.g. setron class of pharmacologically active drugs), serotonin and its structural analogues, curcumin and capsaicin, non-competitive antagonists and decoys. Unexpectedly, we found that the ginger compounds and their structural analogs generally outscored other ligands at both sites. Our results correlated well with previous site-directed mutagenesis studies in identifying key binding site residues. We have identified new residues important for binding the ginger compounds. Overall, the results suggest that the ginger compounds and their structural analogues possess a high binding affinity to both sites. Notwithstanding the limitations of such theoretical analyses, these results suggest that the ginger compounds could act both competitively or non-competitively as has been shown for palonosetron and other modulators of CYS loop receptors. Copyright © 2016 Elsevier Inc. All rights reserved.

  2. The impact of stack geometry and mean pressure on cold end temperature of stack in thermoacoustic refrigeration systems

    Science.gov (United States)

    Wantha, Channarong

    2018-02-01

    This paper reports on the experimental and simulation studies of the influence of stack geometries and different mean pressures on the cold end temperature of the stack in the thermoacoustic refrigeration system. The stack geometry was tested, including spiral stack, circular pore stack and pin array stack. The results of this study show that the mean pressure of the gas in the system has a significant impact on the cold end temperature of the stack. The mean pressure of the gas in the system corresponds to thermal penetration depth, which results in a better cold end temperature of the stack. The results also show that the cold end temperature of the pin array stack decreases more than that of the spiral stack and circular pore stack geometry by approximately 63% and 70%, respectively. In addition, the thermal area and viscous area of the stack are analyzed to explain the results of such temperatures of thermoacoustic stacks.

  3. Molecular screening of compounds to the predicted Protein-Protein Interaction site of Rb1-E7 with p53- E6 in HPV.

    Science.gov (United States)

    Shaikh, Faraz; Sanehi, Parvish; Rawal, Rakesh

    2012-01-01

    Cervical cancer is malignant neoplasm of the cervix uteri or cervical area. Human Papillomaviruses (HPVs) which are heterogeneous groups of small double stranded DNA viruses are considered as the primary cause of cervical cancer, involved in 90% of all Cervical Cancers. Two early HPV genes, E6 and E7, are known to play crucial role in tumor formation. E6 binds with p53 and prevents its translocation and thereby inhibit the ability of p53 to activate or repress target genes. E7 binds to hypophosphorylated Rb and thereby induces cells to enter into premature S-phase by disrupting Rb-E2F complexes. The strategy of the research work was to target the site of interaction of Rb1 -E7 & p53-E6. A total of 88 compounds were selected for molecular screening, based on comprehensive literature survey for natural compounds with anti-cancer activity. Molecular docking analysis was carried out with Molegro Virtual Docker, to screen the 88 chosen compounds and rank them according to their binding affinity towards the site of interaction of the viral oncoproteins and human tumor suppressor proteins. The docking result revealed that Nicandrenone a member of Withanolides family of chemical compounds as the most likely molecule that can be used as a candidate drug against HPV induced cervical cancer. HPV - Human Papiloma Virus, HTSP - Human Tumor Suppressor Proteins, VOP - Viral oncoproteins.

  4. Tunable electro-optic filter stack

    Energy Technology Data Exchange (ETDEWEB)

    Fontecchio, Adam K.; Shriyan, Sameet K.; Bellingham, Alyssa

    2017-09-05

    A holographic polymer dispersed liquid crystal (HPDLC) tunable filter exhibits switching times of no more than 20 microseconds. The HPDLC tunable filter can be utilized in a variety of applications. An HPDLC tunable filter stack can be utilized in a hyperspectral imaging system capable of spectrally multiplexing hyperspectral imaging data acquired while the hyperspectral imaging system is airborne. HPDLC tunable filter stacks can be utilized in high speed switchable optical shielding systems, for example as a coating for a visor or an aircraft canopy. These HPDLC tunable filter stacks can be fabricated using a spin coating apparatus and associated fabrication methods.

  5. Dynamical stability of slip-stacking particles

    Energy Technology Data Exchange (ETDEWEB)

    Eldred, Jeffrey; Zwaska, Robert

    2014-09-01

    We study the stability of particles in slip-stacking configuration, used to nearly double proton beam intensity at Fermilab. We introduce universal area factors to calculate the available phase space area for any set of beam parameters without individual simulation. We find perturbative solutions for stable particle trajectories. We establish Booster beam quality requirements to achieve 97% slip-stacking efficiency. We show that slip-stacking dynamics directly correspond to the driven pendulum and to the system of two standing-wave traps moving with respect to each other.

  6. Targeting Hsp27/eIF4E interaction with phenazine compound: a promising alternative for castration-resistant prostate cancer treatment.

    Science.gov (United States)

    Hajer, Ziouziou; Claudia, Andrieu; Erik, Laurini; Sara, Karaki; Maurizio, Fermeglia; Ridha, Oueslati; David, Taieb; Michel, Camplo; Olivier, Siri; Sabrina, Pricl; Maria, Katsogiannou; Palma, Rocchi

    2017-09-29

    The actual strategy to improve current therapies in advanced prostate cancer involves targeting genes activated by androgen withdrawal, either to delay or prevent the emergence of the castration-refractory phenotype. However, these genes are often implicated in several physiological processes, and long-term inhibition of survival proteins might be accompanied with cytotoxic effects. To avoid this problem, an alternative therapeutic strategy relies on the identification and use of compounds that disrupt specific protein-protein interactions involved in androgen withdrawal. Specifically, the interaction of the chaperone protein Hsp27 with the initiation factor eIF4E leads to the protection of protein synthesis initiation process and enhances cell survival during cell stress induced by castration or chemotherapy. Thus, in this work we aimed at i) identifying the interaction site of the Hsp27/eIF4E complex and ii) interfere with the relevant protein/protein association mechanism involved in castration-resistant progression of prostate cancer. By a combination of experimental and modeling techniques, we proved that eIF4E interacts with the C-terminal part of Hsp27, preferentially when Hsp27 is phosphorylated. We also observed that the loss of this interaction increased cell chemo-and hormone-sensitivity. In order to find a potential inhibitor of Hsp27/eIF4E interaction, BRET assays in combination with molecular simulations identified the phenazine derivative 14 as the compound able to efficiently interfere with this protein/protein interaction, thereby inhibiting cell viability and increasing cell death in chemo- and castration-resistant prostate cancer models in vitro and in vivo .

  7. Structure of human telomeric RNA (TERRA): stacking of two G-quadruplex blocks in K(+) solution.

    Science.gov (United States)

    Martadinata, Herry; Phan, Anh Tuân

    2013-04-02

    Telomeric repeat-containing RNAs (TERRA) are transcription products of the telomeres. Human TERRA sequences containing UUAGGG repeats can form parallel-stranded G-quadruplexes. The stacking interaction of such structures was shown to be important for ligand targeting and higher-order arrangement of G-quadruplexes in long TERRA sequences. Here we report on the first high-resolution structure of a stacked G-quadruplex formed by the 10-nucleotide human TERRA sequence r(GGGUUAGGGU) in potassium solution. This structure comprises two dimeric three-layer parallel-stranded G-quadruplex blocks, which stack on each other at their 5'-ends. The adenine in each UUA loop is nearly coplanar with the 5'-end G-tetrad forming an A·(G·G·G·G)·A hexad, thereby increasing the stacking contacts between the two blocks. Interestingly, this stacking and loop conformation is different from all structures previously reported for the free human TERRA but resembles the structure previously determined for a complex between a human TERRA sequence and an acridine ligand. This stacking conformation is a potential target for drugs that recognize or induce the stacking interface.

  8. Biological relevance of volatile organic compounds emitted during the pathogenic interactions between apple plants and Erwinia amylovora.

    Science.gov (United States)

    Cellini, Antonio; Buriani, Giampaolo; Rocchi, Lorenzo; Rondelli, Elena; Savioli, Stefano; Rodriguez Estrada, Maria T; Cristescu, Simona M; Costa, Guglielmo; Spinelli, Francesco

    2018-01-01

    Volatile organic compounds emitted during the infection of apple (Malus pumila var. domestica) plants by Erwinia amylovora or Pseudomonas syringae pv. syringae were studied by gas chromatography-mass spectrometry and proton transfer reaction-mass spectrometry, and used to treat uninfected plants. Infected plants showed a disease-specific emission of volatile organic compounds, including several bio-active compounds, such as hexenal isomers and 2,3-butanediol. Leaf growth promotion and a higher resistance to the pathogen, expressed as a lower bacterial growth and migration in plant tissues, were detected in plants exposed to volatile compounds from E. amylovora-infected plants. Transcriptional analysis revealed the activation of salicylic acid synthesis and signal transduction in healthy plants exposed to volatiles produced by E. amylovora-infected neighbour plants. In contrast, in the same plants, salicylic acid-dependent responses were repressed after infection, whereas oxylipin metabolism was activated. These results clarify some metabolic and ecological aspects of the pathogenic adaptation of E. amylovora to its host. © 2016 BSPP AND JOHN WILEY & SONS LTD.

  9. Unusual magnetic interactions in compounds with the ThMn12 structure

    DEFF Research Database (Denmark)

    Paixao, J.A.; Langridge, S.; Sørensen, S.Å.

    1997-01-01

    Neutron diffraction experiments have been performed on single crystals of MFe4Al8 where M = Y, Lu, Dy and U. All compounds hare the ThMn12 bet crystal structure with Fe and Al atoms on separate sites. The Fe sublattice order antiferromagnetically above 100 K with a wave vector (epsilon, epsilon 0...

  10. Interactions of the Calcite {10.4} Surface with Organic Compounds: Structure and Behaviour at Mineral – Organic Interfaces

    DEFF Research Database (Denmark)

    Hakim, S. S.; Olsson, M. H. M.; Sørensen, H. O.

    2017-01-01

    The structure and the strength of organic compound adsorption on mineral surfaces are of interest for a number of industrial and environmental applications, oil recovery, CO2 storage and contamination remediation. Biomineralised calcite plays an essential role in the function of many organisms...

  11. Wearable solar cells by stacking textile electrodes.

    Science.gov (United States)

    Pan, Shaowu; Yang, Zhibin; Chen, Peining; Deng, Jue; Li, Houpu; Peng, Huisheng

    2014-06-10

    A new and general method to produce flexible, wearable dye-sensitized solar cell (DSC) textiles by the stacking of two textile electrodes has been developed. A metal-textile electrode that was made from micrometer-sized metal wires was used as a working electrode, while the textile counter electrode was woven from highly aligned carbon nanotube fibers with high mechanical strengths and electrical conductivities. The resulting DSC textile exhibited a high energy conversion efficiency that was well maintained under bending. Compared with the woven DSC textiles that are based on wire-shaped devices, this stacked DSC textile unexpectedly exhibited a unique deformation from a rectangle to a parallelogram, which is highly desired in portable electronics. This lightweight and wearable stacked DSC textile is superior to conventional planar DSCs because the energy conversion efficiency of the stacked DSC textile was independent of the angle of incident light. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. STACKING FAULT ENERGY IN HIGH MANGANESE ALLOYS

    Directory of Open Access Journals (Sweden)

    Eva Mazancová

    2009-04-01

    Full Text Available Stacking fault energy of high manganese alloys (marked as TWIP and TRIPLEX is an important parameter determining deformation mechanism type realized in above mentioned alloys. Stacking fault energy level can be asserted with a gliding of partial and/or full dislocations, b gliding mechanism and twinning deformation process in connection with increasing of fracture deformation level (deformation elongation and with increasing of simultaneously realized work hardening proces., c gliding mechanism and deformation induced e-martensite formation. In contribution calculated stacking fault energies are presented for various chemical compositions of high manganese alloys. Stacking fault energy dependences on manganese, carbon, iron and alluminium contents are presented. Results are confronted with some accessible papers.The aim of work is to deepen knowledge of presented data. The TWIP and TRIPLEX alloys can be held for promissing new automotive materials.

  13. Stack-Based Typed Assembly Language

    National Research Council Canada - National Science Library

    Morrisett, Greg

    1998-01-01

    .... This paper also formalizes the typing connection between CPS based compilation and stack based compilation and illustrates how STAL can formally model calling conventions by specifying them as formal translations of source function types to STAL types.

  14. Characterization of Piezoelectric Stacks for Space Applications

    Science.gov (United States)

    Sherrit, Stewart; Jones, Christopher; Aldrich, Jack; Blodget, Chad; Bao, Xiaoqi; Badescu, Mircea; Bar-Cohen, Yoseph

    2008-01-01

    Future NASA missions are increasingly seeking to actuate mechanisms to precision levels in the nanometer range and below. Co-fired multilayer piezoelectric stacks offer the required actuation precision that is needed for such mechanisms. To obtain performance statistics and determine reliability for extended use, sets of commercial PZT stacks were tested in various AC and DC conditions at both nominal and high temperatures and voltages. In order to study the lifetime performance of these stacks, five actuators were driven sinusoidally for up to ten billion cycles. An automated data acquisition system was developed and implemented to monitor each stack's electrical current and voltage waveforms over the life of the test. As part of the monitoring tests, the displacement, impedance, capacitance and leakage current were measured to assess the operation degradation. This paper presents some of the results of this effort.

  15. The stack on software and sovereignty

    CERN Document Server

    Bratton, Benjamin H

    2016-01-01

    A comprehensive political and design theory of planetary-scale computation proposing that The Stack -- an accidental megastructure -- is both a technological apparatus and a model for a new geopolitical architecture.

  16. Ab initio engineering of materials with stacked hexagonal tin frameworks

    Science.gov (United States)

    Shao, Junping; Beaufils, Clément; Kolmogorov, Aleksey N.

    2016-07-01

    The group-IV tin has been hypothesized to possess intriguing electronic properties in an atom-thick hexagonal form. An attractive pathway of producing sizable 2D crystallites of tin is based on deintercalation of bulk compounds with suitable tin frameworks. Here, we have identified a new synthesizable metal distannide, NaSn2, with a 3D stacking of flat hexagonal layers and examined a known compound, BaSn2, with buckled hexagonal layers. Our ab initio results illustrate that despite being an exception to the 8-electron rule, NaSn2 should form under pressures easily achievable in multi-anvil cells and remain (meta)stable under ambient conditions. Based on calculated Z2 invariants, the predicted NaSn2 may display topologically non-trivial behavior and the known BaSn2 could be a strong topological insulator.

  17. Stacking for Cosmic Magnetism with SKA Surveys

    OpenAIRE

    Stil, J. M.; Keller, B. W.

    2015-01-01

    Stacking polarized radio emission in SKA surveys provides statistical information on large samples that is not accessible otherwise due to limitations in sensitivity, source statistics in small fields, and averaging over frequency (including Faraday synthesis). Polarization is a special case because one obvious source of stacking targets is the Stokes I source catalog, possibly in combination with external catalogs, for example an SKA HI survey or a non-radio survey. We point out the signific...

  18. Environmental Modeling Framework using Stacked Gaussian Processes

    OpenAIRE

    Abdelfatah, Kareem; Bao, Junshu; Terejanu, Gabriel

    2016-01-01

    A network of independently trained Gaussian processes (StackedGP) is introduced to obtain predictions of quantities of interest with quantified uncertainties. The main applications of the StackedGP framework are to integrate different datasets through model composition, enhance predictions of quantities of interest through a cascade of intermediate predictions, and to propagate uncertainties through emulated dynamical systems driven by uncertain forcing variables. By using analytical first an...

  19. Generalized data stacking programming model with applications

    OpenAIRE

    Hala Samir Elhadidy; Rawya Yehia Rizk; Hassen Taher Dorrah

    2016-01-01

    Recent researches have shown that, everywhere in various sciences the systems are following stacked-based stored change behavior when subjected to events or varying environments “on and above” their normal situations. This paper presents a generalized data stack programming (GDSP) model which is developed to describe the system changes under varying environment. These changes which are captured with different ways such as sensor reading are stored in matrices. Extraction algorithm and identif...

  20. Representations of stack triangulations in the plane

    OpenAIRE

    Selig, Thomas

    2013-01-01

    Stack triangulations appear as natural objects when defining an increasing family of triangulations by successive additions of vertices. We consider two different probability distributions for such objects. We represent, or "draw" these random stack triangulations in the plane $\\R^2$ and study the asymptotic properties of these drawings, viewed as random compact metric spaces. We also look at the occupation measure of the vertices, and show that for these two distributions it converges to som...

  1. A Time-predictable Stack Cache

    DEFF Research Database (Denmark)

    Abbaspour, Sahar; Brandner, Florian; Schoeberl, Martin

    2013-01-01

    Real-time systems need time-predictable architectures to support static worst-case execution time (WCET) analysis. One architectural feature, the data cache, is hard to analyze when different data areas (e.g., heap allocated and stack allocated data) share the same cache. This sharing leads to le...... of a cache for stack allocated data. Our port of the LLVM C++ compiler supports the management of the stack cache. The combination of stack cache instructions and the hardware implementation of the stack cache is a further step towards timepredictable architectures.......Real-time systems need time-predictable architectures to support static worst-case execution time (WCET) analysis. One architectural feature, the data cache, is hard to analyze when different data areas (e.g., heap allocated and stack allocated data) share the same cache. This sharing leads to less...... precise results of the cache analysis part of the WCET analysis. Splitting the data cache for different data areas enables composable data cache analysis. The WCET analysis tool can analyze the accesses to these different data areas independently. In this paper we present the design and implementation...

  2. Detailed Electrochemical Characterisation of Large SOFC Stacks

    DEFF Research Database (Denmark)

    Mosbæk, Rasmus Rode; Hjelm, Johan; Barfod, R.

    2012-01-01

    As solid oxide fuel cell (SOFC) technology is moving closer to a commercial break through, lifetime limiting factors, determination of the limits of safe operation and methods to measure the “state-of-health” of operating cells and stacks are becoming of increasing interest. This requires applica...... out at a range of ac perturbation amplitudes in order to investigate linearity of the response and the signal-to-noise ratio. Separation of the measured impedance into series and polarisation resistances was possible....... to analyse in detail. Today one is forced to use mathematical modelling to extract information about existing gradients and cell resistances in operating stacks, as mature techniques for local probing are not available. This type of spatially resolved information is essential for model refinement...... and validation, and helps to further the technological stack development. Further, more detailed information obtained from operating stacks is essential for developing appropriate process monitoring and control protocols for stack and system developers. An experimental stack with low ohmic resistance from Topsoe...

  3. Stacking-Based Visualization of Trajectory Attribute Data.

    Science.gov (United States)

    Tominski, C; Schumann, H; Andrienko, G; Andrienko, N

    2012-12-01

    Visualizing trajectory attribute data is challenging because it involves showing the trajectories in their spatio-temporal context as well as the attribute values associated with the individual points of trajectories. Previous work on trajectory visualization addresses selected aspects of this problem, but not all of them. We present a novel approach to visualizing trajectory attribute data. Our solution covers space, time, and attribute values. Based on an analysis of relevant visualization tasks, we designed the visualization solution around the principle of stacking trajectory bands. The core of our approach is a hybrid 2D/3D display. A 2D map serves as a reference for the spatial context, and the trajectories are visualized as stacked 3D trajectory bands along which attribute values are encoded by color. Time is integrated through appropriate ordering of bands and through a dynamic query mechanism that feeds temporally aggregated information to a circular time display. An additional 2D time graph shows temporal information in full detail by stacking 2D trajectory bands. Our solution is equipped with analytical and interactive mechanisms for selecting and ordering of trajectories, and adjusting the color mapping, as well as coordinated highlighting and dedicated 3D navigation. We demonstrate the usefulness of our novel visualization by three examples related to radiation surveillance, traffic analysis, and maritime navigation. User feedback obtained in a small experiment indicates that our hybrid 2D/3D solution can be operated quite well.

  4. Nuclear Magnetic Shieldings of Stacked Aromatic and Antiaromatic Molecules.

    Science.gov (United States)

    Sundholm, Dage; Rauhalahti, Markus; Özcan, Nergiz; Mera-Adasme, Raúl; Kussmann, Jörg; Luenser, Arne; Ochsenfeld, Christian

    2017-05-09

    Nuclear magnetic shieldings have been calculated at the density functional theory (DFT) level for stacks of benzene, hexadehydro[12]annulene, dodecadehydro[18]annulene, and hexabenzocoronene. The magnetic shieldings due to the ring currents in the adjacent molecules have been estimated by calculating nucleus independent molecular shieldings for the monomer in the atomic positions of neighbor molecules. The calculations show that the independent shielding model works reasonably well for the 1 H NMR shieldings of benzene and hexadehydro[12]annulene, whereas for the larger molecules and for the 13 C NMR shieldings the interaction between the molecules leads to shielding effects that are at least of the same size as the ring current contributions from the adjacent molecules. A better agreement is obtained when the nearest neighbors are also considered at full quantum mechanical (QM) level. The calculations suggest that the nearest solvent molecules must be included in the quantum mechanical system, at least when estimating solvent shifts at the molecular mechanics (MM) level. Current density calculations show that the stacking does not significantly affect the ring current strengths of the individual molecules, whereas the shape of the ring current for a single molecule differs from that of the stacked molecules.

  5. From Multi to Single Stack Automata

    Science.gov (United States)

    Atig, Mohamed Faouzi

    We investigate the issue of reducing the verification problem of multi-stack machines to the one for single-stack machines. For instance, elegant (and practically efficient) algorithms for bounded-context switch analysis of multi-pushdown systems have been recently defined based on reductions to the reachability problem of (single-stack) pushdown systems [10,18]. In this paper, we extend this view to both bounded-phase visibly pushdown automata (BVMPA) [16] and ordered multi-pushdown automata (OMPA) [1] by showing that each of their emptiness problem can be reduced to the one for a class of single-stack machines. For these reductions, we introduce effective generalized pushdown automata (EGPA) where operations on stacks are (1) pop the top symbol of the stack, and (2) push a word in some (effectively) given set of words L over the stack alphabet, assuming that L is in some class of languages for which checking whether L intersects regular languages is decidable. We show that the automata-based saturation procedure for computing the set of predecessors in standard pushdown automata can be extended to prove that for EGPA too the set of all predecessors of a regular set of configurations is an effectively constructible regular set. Our reductions from OMPA and BVMPA to EGPA, together with the reachability analysis procedure for EGPA, allow to provide conceptually simple algorithms for checking the emptiness problem for each of these models, and to significantly simplify the proofs for their 2ETIME upper bounds (matching their lower-bounds).

  6. Start-Stop Test Procedures on the PEMFC Stack Level

    DEFF Research Database (Denmark)

    Mitzel, Jens; Nygaard, Frederik; Veltzé, Sune

    The test is addressed to investigate the influence on stack durability of a long stop followed by a restart of a stack. Long stop should be defined as a stop in which the anodic compartment is fully filled by air due to stack leakages. In systems, leakage level of the stack is low and time to fil...

  7. Broken sublattice symmetry states in Bernal stacked multilayer graphene

    Science.gov (United States)

    Yoon, Chiho; Jang, Yunsu; Jung, Jeil; Min, Hongki

    2017-06-01

    We analyze the ordered phases of Bernal stacked multilayer graphene in the presence of interaction induced band gaps due to sublattice symmetry breaking potentials, whose solutions can be analyzed in terms of light-mass and heavy-mass pseudospin doublets which have the same Chern numbers but opposite charge polarization directions. The application of a perpendicular external electric field reveals an effective Hund’s rule for the ordering of the sublattice pseudospin doublets in a tetralayer, while a similar but more complex phase diagram develops with increasing layer number.

  8. Quadrupolar interactions in Pr compounds: PrFe4P12 and PrBa2Cu3O6

    International Nuclear Information System (INIS)

    Kiss, Annamaria; Fazekas, P

    2003-01-01

    We examine Pr 3+ crystal field models with near-degeneracy of the two lowest crystal field levels, where interaction-induced quadrupolar and dipolar moments are as important as the permanent moments of the crystal field ground state. We find that the Γ 1 -Γ 4 level scheme yields a successful description of the antiferroquadrupolar ordering of PrFe 4 P 12 . For PrBa 2 Cu 3 O 6 , we argue that quadrupolar interaction is important for understanding the Pr ordering transition at 11 K

  9. EmuStack: An OpenStack-Based DTN Network Emulation Platform (Extended Version

    Directory of Open Access Journals (Sweden)

    Haifeng Li

    2016-01-01

    Full Text Available With the advancement of computing and network virtualization technology, the networking research community shows great interest in network emulation. Compared with network simulation, network emulation can provide more relevant and comprehensive details. In this paper, EmuStack, a large-scale real-time emulation platform for Delay Tolerant Network (DTN, is proposed. EmuStack aims at empowering network emulation to become as simple as network simulation. Based on OpenStack, distributed synchronous emulation modules are developed to enable EmuStack to implement synchronous and dynamic, precise, and real-time network emulation. Meanwhile, the lightweight approach of using Docker container technology and network namespaces allows EmuStack to support a (up to hundreds of nodes large-scale topology with only several physical nodes. In addition, EmuStack integrates the Linux Traffic Control (TC tools with OpenStack for managing and emulating the virtual link characteristics which include variable bandwidth, delay, loss, jitter, reordering, and duplication. Finally, experiences with our initial implementation suggest the ability to run and debug experimental network protocol in real time. EmuStack environment would bring qualitative change in network research works.

  10. Deciphering pre-compound emission in low energy heavy ion interactions from recoil range and spin distributions

    International Nuclear Information System (INIS)

    Sharma, Manoj Kumar; Sharma, Vijay R.; Shuaib, Mohd

    2015-01-01

    Emission of light fast particles (LFP), particularly in heavy ion reactions at low energies, has regenerated interest in pre-compound (PCN) processes. Generally, the relative strength of compound (CN) and PCN components in such reactions is estimated from the enhancement in the flux of emitted LFP s in forward direction over the backward direction. Another method often employed is to analyze the measured excitation functions (EFs) for deviations from the statistical predictions and to attribute them to the PCN processes. In order to investigate the role of PCN emission following three consistent measurements i.e., the EFs, RRDs and SDs of product nuclei produced in the 16 O+ 169 Tm system have been carried out by using GPSC and GDA facilities of the IUAC, New Delhi. Measurement of the EFs and RRDs are based on the recoil catcher off-line spectroscopy. However, measurements of the SDs is based on the detection of prompt γ-rays of product residues in forward and backward directions

  11. Levitation characteristics of HTS tape stacks

    Energy Technology Data Exchange (ETDEWEB)

    Pokrovskiy, S. V.; Ermolaev, Y. S.; Rudnev, I. A. [National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Moscow (Russian Federation)

    2015-03-15

    Due to the considerable development of the technology of second generation high-temperature superconductors and a significant improvement in their mechanical and transport properties in the last few years it is possible to use HTS tapes in the magnetic levitation systems. The advantages of tapes on a metal substrate as compared with bulk YBCO material primarily in the strength, and the possibility of optimizing the convenience of manufacturing elements of levitation systems. In the present report presents the results of the magnetic levitation force measurements between the stack of HTS tapes containing of tapes and NdFeB permanent magnet in the FC and ZFC regimes. It was found a non- linear dependence of the levitation force from the height of the array of stack in both modes: linear growth at small thickness gives way to flattening and constant at large number of tapes in the stack. Established that the levitation force of stacks comparable to that of bulk samples. The numerical calculations using finite element method showed that without the screening of the applied field the levitation force of the bulk superconductor and the layered superconductor stack with a critical current of tapes increased by the filling factor is exactly the same, and taking into account the screening force slightly different.

  12. Forced Air-Breathing PEMFC Stacks

    Directory of Open Access Journals (Sweden)

    K. S. Dhathathreyan

    2012-01-01

    Full Text Available Air-breathing fuel cells have a great potential as power sources for various electronic devices. They differ from conventional fuel cells in which the cells take up oxygen from ambient air by active or passive methods. The air flow occurs through the channels due to concentration and temperature gradient between the cell and the ambient conditions. However developing a stack is very difficult as the individual cell performance may not be uniform. In order to make such a system more realistic, an open-cathode forced air-breathing stacks were developed by making appropriate channel dimensions for the air flow for uniform performance in a stack. At CFCT-ARCI (Centre for Fuel Cell Technology-ARC International we have developed forced air-breathing fuel cell stacks with varying capacity ranging from 50 watts to 1500 watts. The performance of the stack was analysed based on the air flow, humidity, stability, and so forth, The major advantage of the system is the reduced number of bipolar plates and thereby reduction in volume and weight. However, the thermal management is a challenge due to the non-availability of sufficient air flow to remove the heat from the system during continuous operation. These results will be discussed in this paper.

  13. Contemporary sample stacking in analytical electrophoresis.

    Science.gov (United States)

    Malá, Zdena; Šlampová, Andrea; Křivánková, Ludmila; Gebauer, Petr; Boček, Petr

    2015-01-01

    This contribution is a methodological review of the publications about the topic from the last 2 years. Therefore, it is primarily organized according to the methods and procedures used in surveyed papers and the origin and type of sample and specification of analytes form the secondary structure. The introductory part about navigation in the architecture of stacking brings a brief characterization of the various stacking methods, with the description of mutual links to each other and important differences among them. The main body of the article brings a survey of publications organized according to main principles of stacking and then according to the origin and type of the sample. Provided that the paper cited gave explicitly the relevant data, information about the BGE(s) used, procedure, detector employed, and reached LOD and/or concentration effect is given. The papers where the procedure used is a combination of diverse fragments and parts of various stacking techniques are mentioned in a special section on combined techniques. The concluding remarks in the final part of the review evaluate present state of art and the trends of sample stacking in CE. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Enhanced dynamical stability with harmonic slip stacking

    Directory of Open Access Journals (Sweden)

    Jeffrey Eldred

    2016-10-01

    Full Text Available We develop a configuration of radio-frequency (rf cavities to dramatically improve the performance of slip stacking. Slip stacking is an accumulation technique used at Fermilab to nearly double proton intensity by maintaining two beams of different momenta in the same storage ring. The two particle beams are longitudinally focused in the Recycler by two 53 MHz 100 kV rf cavities with a small frequency difference between them. We propose an additional 106 MHz 20 kV rf cavity with a frequency at the double the average of the upper and lower main rf frequencies. We show the harmonic rf cavity cancels out the resonances generated between the two main rf cavities and we derive the relationship between the harmonic rf voltage and the main rf voltage. We find the area factors that can be used to calculate the available phase space area for any set of beam parameters without individual simulation. We establish Booster beam quality requirements to achieve 99% slip stacking efficiency. We measure the longitudinal distribution of the Booster beam and use it to generate a realistic beam model for slip stacking simulation. We demonstrate that the harmonic rf cavity can not only reduce particle loss during slip stacking, but also reduce the final longitudinal emittance.

  15. The importance of the on-site electron-electron interaction for the magnetic coupling in the zigzag spin-chain compound In2VO5

    KAUST Repository

    Wang, Hao

    2010-09-27

    We present first-principles electronic structure calculations for the zigzag spin-chain compound In2VO5 using the generalized gradient approximation both with and without inclusion of an on-site Coulomb interaction. It has been proposed that In2VO5 is characterized by itinerant V 3d electrons at high temperature and localized electrons at low temperature. Consequently, it is to be expected that electronic correlations play an important role for the magnetic transition from ferromagnetic to antiferromagnetic exchange around 120 K. In this context, we study the electronic and magnetic properties of a set of possible spin configurations. Our calculations show that inclusion of an on-site Coulomb interaction in fact changes the ground state from ferromagnetic to antiferromagnetic. © 2010 IOP Publishing Ltd.

  16. Chalcogen ‘like-like’ Interactions Involving Trisulphide and Triselenide Compounds: A Combined CSD and Ab Initio Study

    Directory of Open Access Journals (Sweden)

    Antonio Bauzá

    2018-03-01

    Full Text Available In this manuscript, we combined a search in the Cambridge Structural Database (CSD and ab initio calculations (RI-MP2/def2-TZVPD level of theory to analyze the ability of trisulphide and triselenide moieties to establish chalcogen ‘like-like’ interactions. A preliminary CSD inspection revealed two predominant structural patterns, depending on the anti or syn conformation adopted by the substituents of the S3/Se3 bridge, leading to bifurcated or double chalcogen bonding interactions, respectively. In order to analyze these two relevant structural motifs we have used a series of S and Se derivatives Ch3X2 (Ch = S and Se and X = H, F, CN, and CF3 which act as both electron donor (using the lone pairs and acceptor (using the σ-holes entities. Besides, we have carried out “atoms in molecules” (AIM and natural bonding orbital (NBO analyses to further describe and characterize the chalcogen bonding interactions described herein. As far as we know, chalcogen···chalcogen interactions involving trichalconides (S3/Se3 have not been previously described in literature a may be of great importance in the preparation and characterization of new solids based on this subclass of σ-hole bonding.

  17. INTERSITE INTERACTIONS IN CU L-EDGE XPS, XAS, AND XES OF DOPED AND UNDOPED CU COMPOUNDS

    NARCIS (Netherlands)

    VANVEENENDAAL, MA; SAWATZKY, GA

    1994-01-01

    The effect of interaction between different Cu atoms is studied by calculations on clusters with more Cu atoms for various kinds of spectroscopy, using a multiband Hubbard Hamiltonian. It is found that the inclusion of more Cu sites often leads to final states lower in energy than those that would

  18. Spectroscopic study of interaction between osthole and human serum albumin: Identification of possible binding site of the compound

    International Nuclear Information System (INIS)

    Bijari, Nooshin; Shokoohinia, Yalda; Ashrafi-Kooshk, Mohammad Reza; Ranjbar, Samira; Parvaneh, Shahram; Moieni-Arya, Maryam; Khodarahmi, Reza

    2013-01-01

    The studies on the interaction between human serum albumin (HSA) and drugs have been an interesting research field in life science, chemistry and clinical medicine. Osthole possesses a variety of pharmacological activities including anti-tumor, anti-inflammation, anti-seizure, anti-hyperlipidemic and anti-osteoporosis effects. The interaction of osthole with HSA and its binding site in HSA by spectroscopic methods is the subject of this work. By monitoring the intrinsic fluorescence of the single Trp 214 residue and performing site markers displacement measurements, the specific binding of osthole in the vicinity of Sudlow's site I of HSA has been clarified. The changes in the secondary structure of HSA after its complexation with ligand were studied with CD spectroscopy, which indicate that osthole induced only a slight decrease in the helix structural content of the protein. In addition, the mean distance between osthole and HSA fluorophores is estimated to be 4.96 nm using Föster's equation on the basis of the fluorescence energy transfer. Furthermore, the synchronous fluorescence spectra show that the microenvironment of the tryptophan residues does not have obvious changes. Osthole can quench the intrinsic fluorescence of HSA by dynamic quenching, and analysis of the thermodynamic parameters of binding showed that hydrophobic interactions play an important role in the stabilizing of the complex. Increase of protein surface hydrophobicity (PSH) was also observed upon the osthole binding. -- Highlights: • Hydrophobic interactions play an important role in osthole–HSA interaction. • Sudlow's I site is possible binding site of osthole. • Osthole inhibits esterase activity of HSA. • Osthole binding induces no gross protein structural changes

  19. Spectroscopic study of interaction between osthole and human serum albumin: Identification of possible binding site of the compound

    Energy Technology Data Exchange (ETDEWEB)

    Bijari, Nooshin [Medical Biology Research Center, Kermanshah University of Medical Sciences, Kermanshah (Iran, Islamic Republic of); Shokoohinia, Yalda [Department of Pharmacognosy and Biotechnology, Faculty of Pharmacy, Kermanshah University of Medical Sciences, Kermanshah (Iran, Islamic Republic of); Ashrafi-Kooshk, Mohammad Reza; Ranjbar, Samira; Parvaneh, Shahram [Medical Biology Research Center, Kermanshah University of Medical Sciences, Kermanshah (Iran, Islamic Republic of); Moieni-Arya, Maryam [Student Research Committee, Faculty of Pharmacy, Kermanshah University of Medical Sciences, Kermanshah (Iran, Islamic Republic of); Khodarahmi, Reza, E-mail: rkhodarahmi@mbrc.ac.ir [Medical Biology Research Center, Kermanshah University of Medical Sciences, Kermanshah (Iran, Islamic Republic of); Department of Pharmacognosy and Biotechnology, Faculty of Pharmacy, Kermanshah University of Medical Sciences, Kermanshah (Iran, Islamic Republic of)

    2013-11-15

    The studies on the interaction between human serum albumin (HSA) and drugs have been an interesting research field in life science, chemistry and clinical medicine. Osthole possesses a variety of pharmacological activities including anti-tumor, anti-inflammation, anti-seizure, anti-hyperlipidemic and anti-osteoporosis effects. The interaction of osthole with HSA and its binding site in HSA by spectroscopic methods is the subject of this work. By monitoring the intrinsic fluorescence of the single Trp{sub 214} residue and performing site markers displacement measurements, the specific binding of osthole in the vicinity of Sudlow's site I of HSA has been clarified. The changes in the secondary structure of HSA after its complexation with ligand were studied with CD spectroscopy, which indicate that osthole induced only a slight decrease in the helix structural content of the protein. In addition, the mean distance between osthole and HSA fluorophores is estimated to be 4.96 nm using Föster's equation on the basis of the fluorescence energy transfer. Furthermore, the synchronous fluorescence spectra show that the microenvironment of the tryptophan residues does not have obvious changes. Osthole can quench the intrinsic fluorescence of HSA by dynamic quenching, and analysis of the thermodynamic parameters of binding showed that hydrophobic interactions play an important role in the stabilizing of the complex. Increase of protein surface hydrophobicity (PSH) was also observed upon the osthole binding. -- Highlights: • Hydrophobic interactions play an important role in osthole–HSA interaction. • Sudlow's I site is possible binding site of osthole. • Osthole inhibits esterase activity of HSA. • Osthole binding induces no gross protein structural changes.

  20. Weak antilocalization induced by Rashba spin-orbit interaction in layered III-VI compound semiconductor GaSe thin films

    Science.gov (United States)

    Takasuna, Shoichi; Shiogai, Junichi; Matsuzaka, Shunichiro; Kohda, Makoto; Oyama, Yutaka; Nitta, Junsaku

    2017-10-01

    Magnetoconductance (MC) at low temperature was measured to investigate spin-related transport affected by spin-orbit interaction (SOI) in III-VI compound n -type GaSe thin films. Results reveal that MC shows weak antilocalization (WAL). Its temperature and gate voltage dependences reveal that the dominant spin relaxation is governed by the D'yakonov-Perel' mechanism associated with the Rashba SOI. The estimated Rashba SOI strength in GaSe is much stronger than that of III-V compound GaAs quantum wells, although the energy gap and spin split-off band in GaSe closely resemble those in GaAs. The angle dependence of WAL amplitude in the in-plane magnetic field direction is almost isotropic. This isotropy indicates that the strength of the Dresselhaus SOI is negligible compared with the Rashba SOI strength. The SOI effect in n -GaSe thin films differs greatly from those of III-V compound semiconductors and transition-metal dichalcogenides.

  1. Effect of inter-species selective interactions on the thermodynamics and nucleation free-energy barriers of a tessellating polyhedral compound

    International Nuclear Information System (INIS)

    Escobedo, Fernando A.

    2016-01-01

    The phase behavior and the homogeneous nucleation of an equimolar mixture of octahedra and cuboctahedra are studied using thermodynamic integration, Gibbs-Duhem integration, and umbrella sampling simulations. The components of this mixture are modeled as polybead objects of equal edge lengths so that they can assemble into a space-filling compound with the CsCl crystal structure. Taking as reference the hard-core system where the compound crystal does not spontaneously nucleate, we quantified the effect of inter-species selective interactions on facilitating the disorder-to-order transition. Facet selective and facet non-selective inter-species attractions were considered, and while the former was expectedly more favorable toward the target tessellating structure, the latter was found to be similarly effective in nucleating the crystal compound. Ranges for the strength of attractions and degree of supersaturation were identified where the nucleation free-energy barrier was small enough to foretell a fast process but large enough to prevent spinodal fluctuations that can trap the system in dense metastable states lacking long-range order. At those favorable conditions, the tendency toward the local orientational order favored by packing entropy is amplified and found to play a key role seeding nuclei with the CsCl structure.

  2. Progress of MCFC stack technology at Toshiba

    Energy Technology Data Exchange (ETDEWEB)

    Hori, M.; Hayashi, T.; Shimizu, Y. [Toshiba Corp., Tokyo (Japan)

    1996-12-31

    Toshiba is working on the development of MCFC stack technology; improvement of cell characteristics, and establishment of separator technology. For the cell technology, Toshiba has concentrated on both the restraints of NiO cathode dissolution and electrolyte loss from cells, which are the critical issues to extend cell life in MCFC, and great progress has been made. On the other hand, recognizing that the separator is one of key elements in accomplishing reliable and cost-competitive MCFC stacks, Toshiba has been accelerating the technology establishment and verification of an advanced type separator. A sub-scale stack with such a separator was provided for an electric generating test, and has been operated for more than 10,000 hours. This paper presents several topics obtained through the technical activities in the MCFC field at Toshiba.

  3. Development of new heparin-like compounds and other antithrombotic drugs and their interaction with vascular endothelial cells.

    Science.gov (United States)

    Nader, H B; Pinhal, M A; Baú, E C; Castro, R A; Medeiros, G F; Chavante, S F; Leite, E L; Trindade, E S; Shinjo, S K; Rocha, H A; Tersariol, I L; Mendes, A; Dietrich, C P

    2001-06-01

    The anticlotting and antithrombotic activities of heparin, heparan sulfate, low molecular weight heparins, heparin and heparin-like compounds from various sources used in clinical practice or under development are briefly reviewed. Heparin isolated from shrimp mimics the pharmacological activities of low molecular weight heparins. A heparan sulfate from Artemia franciscana and a dermatan sulfate from tuna fish show a potent heparin cofactor II activity. A heparan sulfate derived from bovine pancreas has a potent antithrombotic activity in an arterial and venous thrombosis model with a negligible activity upon the serine proteases of the coagulation cascade. It is suggested that the antithrombotic activity of heparin and other antithrombotic agents is due at least in part to their action on endothelial cells stimulating the synthesis of an antithrombotic heparan sulfate.

  4. Compound K, a Ginsenoside Metabolite, Inhibits Colon Cancer Growth via Multiple Pathways Including p53-p21 Interactions

    Directory of Open Access Journals (Sweden)

    Eugene B. Chang

    2013-01-01

    Full Text Available Compound K (20-O-beta-D-glucopyranosyl-20(S-protopanaxadiol, CK, an intestinal bacterial metabolite of ginseng protopanaxadiol saponins, has been shown to inhibit cell growth in a variety of cancers. However, the mechanisms are not completely understood, especially in colorectal cancer (CRC. A xenograft tumor model was used first to examine the anti-CRC effect of CK in vivo. Then, multiple in vitro assays were applied to investigate the anticancer effects of CK including antiproliferation, apoptosis and cell cycle distribution. In addition, a qPCR array and western blot analysis were executed to screen and validate the molecules and pathways involved. We observed that CK significantly inhibited the growth of HCT-116 tumors in an athymic nude mouse xenograft model. CK significantly inhibited the proliferation of human CRC cell lines HCT-116, SW-480, and HT-29 in a dose- and time-dependent manner. We also observed that CK induced cell apoptosis and arrested the cell cycle in the G1 phase in HCT-116 cells. The processes were related to the upregulation of p53/p21, FoxO3a-p27/p15 and Smad3, and downregulation of cdc25A, CDK4/6 and cyclin D1/3. The major regulated targets of CK were cyclin dependent inhibitors, including p21, p27, and p15. These results indicate that CK inhibits transcriptional activation of multiple tumor-promoting pathways in CRC, suggesting that CK could be an active compound in the prevention or treatment of CRC.

  5. Performance evaluation of an open-cathode PEM fuel cell stack under ambient conditions: Case study of United Arab Emirates

    International Nuclear Information System (INIS)

    Al-Zeyoudi, Hend; Sasmito, Agus P.; Shamim, Tariq

    2015-01-01

    Highlights: • Performance evaluation of open-cathode PEM fuel cell stacks with forced air-convection. • Stack performance can vary up to 40% from winter to summer. • Hot and arid condition leads to membrane drying and performance deterioration. • Anode humidification improves the stack performance up to 40% during summer. - Abstract: The open-cathode polymer electrolyte membrane (PEM) fuel cell stack has been a promising candidate as a sustainable energy conversion system for replacing fossil fuel-based energy conversion devices in portable and automotive applications. As the ambient air is directly used to provide both oxidant and cooling, the complex cooling loop can be avoided which reduces the complexity and cost. However, the stack performance is highly affected by ambient conditions, i.e., ambient temperature and humidity. In this study, the effect of monthly ambient air conditions (temperature and humidity) is evaluated with respect to the stack’s power production performance as well as thermal, water and gas management by employing a validated three-dimensional open-cathode PEM fuel cell stack model. The annual climate data from the hot and arid environment of Abu Dhabi, United Arab Emirates (UAE) are used as a case study. The objective is to develop a better fundamental understanding of the interactions of physical phenomena in a fuel cell stack, which can assist in improving the performance and operation of an open-cathode PEM fuel cell-powered vehicle. The results indicate that the stack performance can vary significantly (up to 40%) from winter to summer, especially at high operating currents, with significant changes in the stack temperature and the water content at the membrane. Moreover, the anode humidification results in a significant improvement in the stack performance (up to 40%) in hot and dry conditions. However, a careful balance has to be struck between the humidifier parasitic load and the stack power.

  6. Design Handbook for a Stack Foundation

    OpenAIRE

    Tuominen, Vilma

    2011-01-01

    This thesis was made for Citec Engineering Oy Ab as a handbook and as a design tool for concrete structure designers. Handbook is about the Wärtsilä Power Plant stack structure, which is a base for about 40 meters high stack pipe. The purpose is to make a calculation base to support the design work, which helps the designer to check the right dimensions of the structure. Thesis is about to be for the concrete designers and also other designers and authorities. As an example I have used an...

  7. Air-sea interactions of semi-volatile organic compounds in the tropical environment of Southeast Asia

    Directory of Open Access Journals (Sweden)

    Balasubramanian R.

    2010-12-01

    Full Text Available Major urban and industrial centers increase loadings of semi-volatile organic compounds (SVOCs to proximate sea waters through riverine transport, atmospheric deposition via dry particle deposition, wet deposition, and air-sea gas exchange. In addition to acting as sinks for SVOCs, oceans can act as sources of SVOCs to coastal atmospheres and play important roles in the global biogeochemistry of SVOCs. Particle-sorbed SVOCs can settle to the ocean surface by dry particle deposition, a uni-directional advective transport process from the atmosphere to the water, the removal rate by which is a function of the physical and chemical properties of the aerosols and bound pollutants, meteorological conditions and surface characteristics. In addition, SVOCs are removed from the atmosphere and transported to the waters by precipitation scavenging of atmospheric vapors and particles, which are incorporated into the rain within or below the clouds. After SVOCs are deposited into the bulk seawater, water-column partitioning can affect the distribution of pollutants between the dissolved aqueous and the solid phases and eventually impact the fate of these compounds in oceans. Other than the abovementioned processes, air-sea exchange can make SVOCs diffuse across the air-sea interface; however, the sea surface microlayer (SML, a unique compartment at the air-sea boundary defined operationally as the upper millimeter (1 ∼ 1000 μm of the sea surface, has large storage capacity to delay the transport of SVOCs across the interface. This article reports the dry particle deposition and wet deposition of selected SVOCs based on an extensive set of yearly data collected in Singapore. Singapore, a representative country of Southeast Asia (SEA, is a small but highly developed island with dense industrial parks in the Southwestern part, where the terrestrial sources affect the surrounding coasts. In this study, Singapore’s Southern coastline was chosen during

  8. Interactions between volatile organic compounds and reactive halogen in the tropical marine atmosphere using WRF-Chem

    Science.gov (United States)

    Badia, Alba; Reeves, Claire E.; Baker, Alex; Volkamer, Rainer; von Glasow, Roland

    2016-04-01

    Halogen species (chlorine, bromine and iodine) are known to play an important role in the chemistry and oxidizing capacity of the troposphere, particularly in the marine boundary layer (MBL). Reactive halogens cause ozone (O3) destruction, change the HOx and NOX partitioning, affect the oxidation of volatile organic compounds (VOCs) and mercury, reduce the lifetime of methane, and take part in new particle formation. Numerical models predicted that reactive halogen compounds account for 30% of O3 destruction in the MBL and 5-20% globally. There are indications that the chemistry of reactive halogens and oxygenated VOCs (OVOCs) in the tropics are inter-related. Moreover, the presence of aldehydes, such as glyoxal (CHOCHO), has a potential impact on radical cycling and secondary organic aerosol (SOA) formation in the MBL and free troposphere (FT). Model calculations suggest aldehydes to be an important sink for bromine atoms and hence competition for their reaction with O3 forming BrO and so illustrating a link between the cycles of halogens and OVOCs in the marine atmosphere. The main objective of this contribution is to investigate the atmospheric chemistry in the tropical East Pacific with a focus on reactive halogens and OVOCs and their links using the latest version of the Weather Research and Forecasting (WRF) model coupled with Chemistry (WRF-Chem) and field data from the TORERO campaign. WRF-Chem is a highly flexible community model for atmospheric research where aerosol-radiation-cloud feedback processes are taken into account. Our current reaction mechanism in WRF-Chem is based on the MOZART mechanism and has been extended to include bromine, chlorine and iodine chemistry. The MOZART mechanism includes detailed gas-phase chemistry of CHOCHO formation as well as state-of-the-science pathways to form SOA. Oceanic emissions of aldehydes, including CHOCHO, and of organic halogens based on measurements from the TORERO campaign have been added into the model. Sea

  9. Critical scaling analysis of the long-range magnetic interactions and renormalization of magnetic entropy change in Gd12Co7 compound

    Science.gov (United States)

    Chen, Xiang; Zhuang, Yinghong

    2017-07-01

    The scaling critical behaviors of Gd12Co7 compound around TC were investigated based on the M-H curves in a magnetic field change of 0-2 T. The critical exponents β and γ determined by modified Arrott plot (MAP) and Kouvel-Fisher (KF) methods are [β=0.479(5) and γ=1.004(2)] and [β=0.473(2) and γ=0.983(3)], respectively. The exponents δ derived from Widom scaling relation (M T =TC = 163 K = DH 1/δ) and universal relation of the relative cooling power (RCP ∝H 1 +1/δ) are δ=3.032(8) and δ=2.903(1). The average values of critical exponent (β=0.476(3), γ=0.993(7), and δ=2.967(9)) are very close to mean-field model (β=0.5, γ=1, and δ=3), which indicates that the magnetic interactions in Gd12Co7 compound are long-range interactions. The average value of critical exponent n for MAP (0.649(1)), KF (0.638(3)), and | ΔSM | ∝Hn(0.714(8)) at TC is 0.667(4) and well in agreement with mean field long-range interaction model (n = 2 / 3). The plot M 1/βvs.(H / M) 1/γ constructed by above critical exponents fall into two distinct branches above and below TC and completely complies with the scaling hypothesis. At the same time, the normalized curve of magnetic entropy change shows that renormalized magnetic entropy change Δ S ‧ of Gd12Co7 is mainly determined by a=1.548(1) and b=1.549(3) in Lorentz function.

  10. Longitudinal ultrasonic vibration assisted guillotining of stacked paper.

    Science.gov (United States)

    Deibel, Karl-Robert; Kaiser, Fabian; Zimmermann, Remo; Meier, Linus; Bolt, Peter; Wegener, Konrad

    2014-08-01

    Ultrasonic vibration assisted cutting is a complex process with high dynamics. The interaction between cutting tool and workpiece is of key interest to understand the entire process. Experimental investigations are limited by the dynamics of the measurement system, and thus appropriately modeling of the ultrasonic vibration assisted cutting process is essential. In this investigation, a dynamic model regarding the ultrasonic vibration assisted guillotining of stacked paper sheets is developed. A Kelvin-Voigt material model, representing the individual sheets, is chosen, with its stiffness and damping parameters being empirically determined. A novel measurement strategy for studying the contact time and interaction between cutting tool and workpiece is introduced. It allows the verification of the highly dynamic behavior of the developed model. With the dynamic model, the experimentally observed cutting forces can be calculated. It is found that the dynamic forces cause a quicker failure of the material, which leads to a lower compression of the stack prior to reaching the critical cutting force. Copyright © 2014 Elsevier B.V. All rights reserved.

  11. Interaction domains in permanent-magnetic rare-earth transition-metal compounds; Wechselwirkungsdomaenen in permanentmagnetischen Seltenerd-Uebergangsmetall-Verbindungen

    Energy Technology Data Exchange (ETDEWEB)

    Thielsch, Juliane

    2015-02-05

    In the framework of this dissertation the phenomenon of the interaction domains was studied both experimentally and by means of micromagnetic simulation. Object of the study were one-phase NdFeB magnets, which were fabricated from commercial MQU-F powders of the Magnequench Inc. company by hot pressing and subsequent warm deformation in the IWF Dresden. Additionally via the same fabrication way also composite samples of NdFeB and Fe with different original particle sizes ere obtained and studied. Supported wer the experimental works by simulations with the FEMME software package, which is based on a hybrid finite-element method/boundary-element method.

  12. Volume and overlap effects in the hyperfine interactions on the 57Fe2+ in quasi-ionics iron compounds

    International Nuclear Information System (INIS)

    Costa Junior, M.I. da.

    1976-01-01

    Several nearly ionic ferrous compounds for which one expects charge transfer to be negligible, are studied. A cluster model in which the multi centered wave function is described in terms of overlap only, is assumed. A definite correlation between the total Fe 3d overlap with the ligand orbitals and delta is found, but no such correlation for ΔE sub(Q). The former result indicates that 3d-3s shielding may be important in these cases while the latter result leads to the belief that ΔE sub(Q) may not be completely described by a cluster model. 57 Fe Moessbauer effect measurements are made in Fe substituted carbonates (M sub(1-x) Fe sub(x))CO 3 , to help clarify these results, with M = Ca, Cd, Co, Fe, Mn, Zn, Mg; all of which are isostructural. An analysis of the data show that in this case (and that of the Fe substituted fluorides) the trends observed can be correlated to a volume effect due to the different site sizes for the Fe 2+ ion. It is shown that in the case of the fluorides, the effects are identical with pressure induced effects if local distortions are taken into account [pt

  13. Evaluation of the influence of the polymer-filler interaction on compounds based on epoxidized elastomeric matrix and precipitated silica

    Directory of Open Access Journals (Sweden)

    Tatiana L. A. C. Rocha

    2006-06-01

    Full Text Available The introduction of epoxy groups into the main chain of elastomers has emerged as a promising alternative, considering the monitoring of polymer-filler interaction leading to changes in the properties of vulcanizates. The epoxidation reaction (in situ was chosen to modify elastomers, such as polybutadiene (BR and copolymer of styrene-butadiene-rubber (SBR, because it is a simple, easily controlled reaction, even considering the small epoxidation degree. The modification degree of the polymeric chain was studied with FT-IR and ¹H-NMR. The shift of the Tg to high temperatures with the increase of the epoxy group in the polymer chain was monitored through differential scanning calorimetry (DSC. An analysis of the dynamic modulus of the material in relation to its dependence on the amplitude and temperature was carried out. The interaction between epoxidized elastomeric matrix and silica as filler was extremely improved, even in the presence of very low content of epoxy groups into the polymer chain.

  14. Contemporary sample stacking in analytical electrophoresis

    Czech Academy of Sciences Publication Activity Database

    Šlampová, Andrea; Malá, Zdeňka; Pantůčková, Pavla; Gebauer, Petr; Boček, Petr

    2013-01-01

    Roč. 34, č. 1 (2013), s. 3-18 ISSN 0173-0835 R&D Projects: GA ČR GAP206/10/1219 Institutional support: RVO:68081715 Keywords : biological samples * stacking * trace analysis * zone electrophoresis Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.161, year: 2013

  15. SRS reactor stack plume marking tests

    International Nuclear Information System (INIS)

    Petry, S.F.

    1992-03-01

    Tests performed in 105-K in 1987 and 1988 demonstrated that the stack plume can successfully be made visible (i.e., marked) by introducing smoke into the stack breech. The ultimate objective of these tests is to provide a means during an emergency evacuation so that an evacuee can readily identify the stack plume and evacuate in the opposite direction, thus minimizing the potential of severe radiation exposure. The EPA has also requested DOE to arrange for more tests to settle a technical question involving the correct calculation of stack downwash. New test canisters were received in 1988 designed to produce more smoke per unit time; however, these canisters have not been evaluated, because normal ventilation conditions have not been reestablished in K Area. Meanwhile, both the authorization and procedure to conduct the tests have expired. The tests can be performed during normal reactor operation. It is recommended that appropriate authorization and procedure approval be obtained to resume testing after K Area restart

  16. Testing of Electrodes, Cells and Short Stacks

    DEFF Research Database (Denmark)

    Hauch, Anne; Mogensen, Mogens Bjerg

    2017-01-01

    The present contribution describes the electrochemical testing and characterization of electrodes, cells, and short stacks. To achieve the maximum insight and results from testing of electrodes and cells, it is obviously necessary to have a good understanding of the fundamental principles...

  17. Stack Gas Scrubber Makes the Grade

    Science.gov (United States)

    Chemical and Engineering News, 1975

    1975-01-01

    Describes a year long test of successful sulfur dioxide removal from stack gas with a calcium oxide slurry. Sludge disposal problems are discussed. Cost is estimated at 0.6 mill per kwh not including sludge removal. A flow diagram and equations are included. (GH)

  18. OpenStack Object Storage (Swift) essentials

    CERN Document Server

    Kapadia, Amar; Varma, Sreedhar

    2015-01-01

    If you are an IT administrator and you want to enter the world of cloud storage using OpenStack Swift, then this book is ideal for you. Basic knowledge of Linux and server technology is beneficial to get the most out of the book.

  19. Stacked spheres and lower bound theorem

    Indian Academy of Sciences (India)

    BASUDEB DATTA

    2011-11-20

    Nov 20, 2011 ... Preliminaries. Lower bound theorem. On going work. Definitions. An n-simplex is a convex hull of n + 1 affinely independent points. (called vertices) in some Euclidean space R. N . Stacked spheres and lower bound theorem. Basudeb Datta. Indian Institute of Science. 2 / 27 ...

  20. Contemporary sample stacking in analytical electrophoresis

    Czech Academy of Sciences Publication Activity Database

    Malá, Zdeňka; Šlampová, Andrea; Křivánková, Ludmila; Gebauer, Petr; Boček, Petr

    2015-01-01

    Roč. 36, č. 1 (2015), s. 15-35 ISSN 0173-0835 R&D Projects: GA ČR(CZ) GA13-05762S Institutional support: RVO:68081715 Keywords : biological samples * stacking * trace analysis * zone electrophoresis Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 2.482, year: 2015

  1. The data type variety of stack algebras

    NARCIS (Netherlands)

    Bergstra, J.A.; Tucker, J.V.

    1995-01-01

    We define and study the class of all stack algebras as the class of all minimal algebras in a variety defined by an infinite recursively enumerable set of equations. Among a number of results, we show that the initial model of the variety is computable, that its equational theory is decidable,

  2. Photoswitchable Intramolecular H-Stacking of Perylenebisimide

    NARCIS (Netherlands)

    Wang, Jiaobing; Kulago, Artem; Browne, Wesley R.; Feringa, Ben L.

    2010-01-01

    Dynamic control over the formation of H- or J-type aggregates of chromophores is of fundamental importance for developing responsive organic optoelectronic materials. In this study, the first example of photoswitching between a nonstacked and an intramolecularly H-stacked arrangement of

  3. 40 CFR 61.53 - Stack sampling.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 8 2010-07-01 2010-07-01 false Stack sampling. 61.53 Section 61.53 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL... sampling. (a) Mercury ore processing facility. (1) Unless a waiver of emission testing is obtained under...

  4. 40 CFR 61.33 - Stack sampling.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 8 2010-07-01 2010-07-01 false Stack sampling. 61.33 Section 61.33 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR PROGRAMS (CONTINUED) NATIONAL... sampling. (a) Unless a waiver of emission testing is obtained under § 61.13, each owner or operator...

  5. OpenStack cloud computing cookbook

    CERN Document Server

    Jackson, Kevin

    2013-01-01

    A Cookbook full of practical and applicable recipes that will enable you to use the full capabilities of OpenStack like never before.This book is aimed at system administrators and technical architects moving from a virtualized environment to cloud environments with familiarity of cloud computing platforms. Knowledge of virtualization and managing linux environments is expected.

  6. Interactions between a sap beetle, sabal palm, scale insect, filamentous fungi and yeast, with discovery of potential antifungal compounds.

    Directory of Open Access Journals (Sweden)

    Andrew R Cline

    Full Text Available The multi-trophic relationship between insects, yeast, and filamentous fungi is reported on sabal palm (Sabal palmetto (Walter Lodd. ex Schult. & Schult. f.. Gut content analyses and observations of adult and larval feeding of the sap beetle Brachypeplus glaber LeConte indicate that niche partitioning of fungal food substrata occurs between adults and larvae. This is the first report of specific mycophagous niche partitioning among beetle life stages based on gut content analyses. Fungi isolated from the beetle gut of adults, larvae, and pupae include species of Fusarium Link, Cladosporium Link, and Penicillium Link, which were differentially ingested by larvae and adults; Fusarium solani and Penicillium species in larvae, whereas F. oxysoproum, F. verticillioides, and Cladosporium in adults. These data indicate the first species-level host data for Brachypeplus Erichson species. Fusarium proliferatum (Matsush. Nirenberg was the most commonly occurring fungal gut component, being isolated from the palm as well as gut of larvae, pupae, and adults; representing a commonly shared food resource. One species of yeast, Meyerozyma caribbica (Vaughan-Mart. et al. Kurtzman & Suzuki (basionym = Pichia caribbica, was isolated from all life stages and is likely responsible for anti-fungal properties observed in the pupae and represents a promising source of antifungal compounds; rearing and diagnostic protocols are provided to aid biomedical researchers. Feeding and cleaning behaviors are documented using time-lapse video-micrography, and discussed in a behavioral and functional morphological context. Adults spent long periods feeding, often >1/3 of the two-hour observation period. A generic adult body posture was observed during feeding, and included substrate antennation before and after ingestion. Adult grooming behaviors were manifested in distinct antennal and tarsal cleaning mechanisms. Larval behaviors were different from adults, and larvae feeding

  7. Synergistic interactions between phenolic compounds identified in grape pomace extract with antibiotics of different classes against Staphylococcus aureus and Escherichia coli.

    Directory of Open Access Journals (Sweden)

    Loreto Sanhueza

    Full Text Available Synergy could be an effective strategy to potentiate and recover antibiotics nowadays useless in clinical treatments against multi-resistant bacteria. In this study, synergic interactions between antibiotics and grape pomace extract that contains high concentration of phenolic compounds were evaluated by the checkerboard method in clinical isolates of Staphylococcus aureus and Escherichia coli. To define which component of the extract is responsible for the synergic effect, phenolic compounds were identified by RP-HPLC and their relative abundance was determined. Combinations of extract with pure compounds identified there in were also evaluated. Results showed that the grape pomace extract combined with representatives of different classes of antibiotics as β-lactam, quinolone, fluoroquinolone, tetracycline and amphenicol act in synergy in all S. aureus and E. coli strains tested with FICI values varying from 0.031 to 0.155. The minimal inhibitory concentration (MIC was reduced 4 to 75 times. The most abundant phenolic compounds identified in the extract were quercetin, gallic acid, protocatechuic acid and luteolin with relative abundance of 26.3, 24.4, 16.7 and 11.4%, respectively. All combinations of the extract with the components also showed synergy with FICI values varying from 0.031 to 0.5 and MIC reductions of 4 to 125 times with both bacteria strains. The relative abundance of phenolic compounds has no correlation with the obtained synergic effect, suggesting that the mechanism by which the synergic effect occurs is by a multi-objective action. It was also shown that combinations of grape pomace extract with antibiotics are not toxic for the HeLa cell line at concentrations in which the synergistic effect was observed (47 μg/mL of extract and 0.6-375 μg/mL antibiotics. Therefore, these combinations are good candidates for testing in animal models in order to enhance the effect of antibiotics of different classes and thus restore the

  8. Stacked Deck: An Effective, School-Based Program for the Prevention of Problem Gambling

    Science.gov (United States)

    Williams, Robert J.; Wood, Robert T.; Currie, Shawn R.

    2010-01-01

    School-based prevention programs are an important component of problem gambling prevention, but empirically effective programs are lacking. Stacked Deck is a set of 5-6 interactive lessons that teach about the history of gambling; the true odds and "house edge"; gambling fallacies; signs, risk factors, and causes of problem gambling; and…

  9. Effect of stacking fault energy on steady-state creep rate of face ...

    African Journals Online (AJOL)

    Continuum elastic theory was used to establish the relationships between the force of interaction required to constrict dislocation partials, energy of constriction and climb velocity of the constricted thermal jogs, in order to examine the effect of stacking fault energy (SFE) on steady state creep rate of face centered cubic ...

  10. Evaluation of exchange interactions in (Gd{sub x}Y{sub 1-x}){sub 3}Co{sub 11}B{sub 4} compounds

    Energy Technology Data Exchange (ETDEWEB)

    Jin Zhiqiang; Tang Wei; Qin Hongxia; Du Youwei [Nanjing Univ., JS (China). Dept. of Physics; Zhang Jianrong

    1998-01-01

    Two-sublattice molecular field theory (MFT) is employed to describe the temperature dependence of magnetization for (Gd{sub x}Y{sub 1-x}){sub 3}Co{sub 11}B{sub 4} compounds. Three molecular field coefficients, n{sub RCo}, n{sub CoCo}, n{sub RR}, have been calculated by a numerical fitting process. MFT with a single coefficient provides quite a reasonable description for Y{sub 3}Co{sub 11}B{sub 4}. For x > 0, we find that n{sub CoCo} is the largest coefficient, implying that the magnetic interactions are dominated by exchange between cobalt 3d electrons. (orig.) 4 refs.

  11. EXAFS investigations of the interaction of humic acids and model compounds with uranyl cations in solid complexes

    International Nuclear Information System (INIS)

    Denecke, M.A.; Reich, T.; Pompe, S.; Bubner, M.; Heise, K.H.; Nitsche, H.; Allen, P.G.; Bucher, J.J.; Edelstein, N.M.; Shuh, D.K.; Czerwinski, K.R.

    1998-01-01

    Natural humic acids, HA's, having varying amounts of their proton exchange capacities, PEC's, loaded with uranyl ions and synthetic HA loaded with 14% PEC were prepared either from solution or from suspension. The interaction of uranium with the humates was studied using U L III -edge extended X-ray absorption fine structure, EXAFS, and infrared, IR, spectroscopy. IR results indicate a direct complexation of the uranyl ions onto the HA's. The spectral positions of the asymmetric and symmetric IR stretching frequencies for COO - in the complex suggest monodentate coordination of HA carboxylate groups onto the uranyl cation. In all samples studied, the EXAFS analysis yielded axial uranium-oxygen distances of 1.77-1.78 A and five oxygen atoms in the plane equatorial to the uranyl unit at distances of 2.37-2.39 A. The bond distances determined from the EXAFS are the same, within the experimental error, for both synthetic and two different natural uranyl humates, for samples with large loadings and samples with relatively low uranyl loadings, as well as for dry and wet paste samples. Comparison of the EXAFS from the uranyl humates with that observed for two crystalline uranyl carboxylate complexes indicates that the HA carboxylate groups act predominantly as monodentate ligands when bound to the uranyl unit. Additional, neutral ligands must also be coordinated to the uranyl ion in order to satisfy the uranyl cation coordination number determined as 5 ± 0.7. (orig.)

  12. Evidence of distinct pathways for bacterial degradation of the steroid compound cholate suggests the potential for metabolic interactions by interspecies cross-feeding.

    Science.gov (United States)

    Holert, Johannes; Yücel, Onur; Suvekbala, Vemparthan; Kulić, Zarko; Möller, Heiko; Philipp, Bodo

    2014-05-01

    The distribution and the metabolic pathways of bacteria degrading steroid compounds released by eukaryotic organisms were investigated using the bile salt cholate as model substrate. Cholate-degrading bacteria could be readily isolated from freshwater environments. All isolated strains transiently released steroid degradation intermediates into culture supernatants before their further degradation. Cholate degradation could be initiated via two different reaction sequences. Most strains degraded cholate via a reaction sequence known from the model organism Pseudomonas sp. strain Chol1 releasing intermediates with a 3-keto-Δ(1,4) -diene structure of the steroid skeleton. The actinobacterium Dietzia sp. strain Chol2 degraded cholate via a different and yet unexplored reaction sequence releasing intermediates with a 3-keto-Δ(4,6) -diene-7-deoxy structure of the steroid skeleton such as 3,12-dioxo-4,6-choldienoic acid (DOCDA). Using DOCDA as substrate, two Alphaproteobacteria, strains Chol10-11, were isolated that produced the same cholate degradation intermediates as strain Chol2. With DOCDA as substrate for Pseudomonas sp. strain Chol1 only the side chain was degraded while the ring system was transformed into novel steroid compounds accumulating as dead-end metabolites. These metabolites could be degraded by the DOCDA-producing strains Chol10-11. These results indicate that bacteria with potentially different pathways for cholate degradation coexist in natural habitats and may interact via interspecies cross-feeding. © 2014 Society for Applied Microbiology and John Wiley & Sons Ltd.

  13. Analysis of stacking overlap in nucleic acid structures: algorithm and application.

    Science.gov (United States)

    Pingali, Pavan Kumar; Halder, Sukanya; Mukherjee, Debasish; Basu, Sankar; Banerjee, Rahul; Choudhury, Devapriya; Bhattacharyya, Dhananjay

    2014-08-01

    RNA contains different secondary structural motifs like pseudo-helices, hairpin loops, internal loops, etc. in addition to anti-parallel double helices and random coils. The secondary structures are mainly stabilized by base-pairing and stacking interactions between the planar aromatic bases. The hydrogen bonding strength and geometries of base pairs are characterized by six intra-base pair parameters. Similarly, stacking can be represented by six local doublet parameters. These dinucleotide step parameters can describe the quality of stacking between Watson-Crick base pairs very effectively. However, it is quite difficult to understand the stacking pattern for dinucleotides consisting of non canonical base pairs from these parameters. Stacking interaction is a manifestation of the interaction between two aromatic bases or base pairs and thus can be estimated best by the overlap area between the planar aromatic moieties. We have calculated base pair overlap between two consecutive base pairs as the buried van der Waals surface between them. In general, overlap values show normal distribution for the Watson-Crick base pairs in most double helices within a range from 45 to 50 Å(2) irrespective of base sequence. The dinucleotide steps with non-canonical base pairs also are seen to have high overlap value, although their twist and few other parameters are rather unusual. We have analyzed hairpin loops of different length, bulges within double helical structures and pseudo-continuous helices using our algorithm. The overlap area analyses indicate good stacking between few looped out bases especially in GNRA tetraloop, which was difficult to quantitatively characterise from analysis of the base pair or dinucleotide step parameters. This parameter is also seen to be capable to distinguish pseudo-continuous helices from kinked helix junctions.

  14. The use of Graphic User Interface for development of a user-friendly CRS-Stack software

    Science.gov (United States)

    Sule, Rachmat; Prayudhatama, Dythia; Perkasa, Muhammad D.; Hendriyana, Andri; Fatkhan; Sardjito; Adriansyah

    2017-04-01

    The development of a user-friendly Common Reflection Surface (CRS) Stack software that has been built by implementing Graphical User Interface (GUI) is described in this paper. The original CRS-Stack software developed by WIT Consortium is compiled in the unix/linux environment, which is not a user-friendly software, so that a user must write the commands and parameters manually in a script file. Due to this limitation, the CRS-Stack become a non popular method, although applying this method is actually a promising way in order to obtain better seismic sections, which have better reflector continuity and S/N ratio. After obtaining successful results that have been tested by using several seismic data belong to oil companies in Indonesia, it comes to an idea to develop a user-friendly software in our own laboratory. Graphical User Interface (GUI) is a type of user interface that allows people to interact with computer programs in a better way. Rather than typing commands and module parameters, GUI allows the users to use computer programs in much simple and easy. Thus, GUI can transform the text-based interface into graphical icons and visual indicators. The use of complicated seismic unix shell script can be avoided. The Java Swing GUI library is used to develop this CRS-Stack GUI. Every shell script that represents each seismic process is invoked from Java environment. Besides developing interactive GUI to perform CRS-Stack processing, this CRS-Stack GUI is design to help geophysicists to manage a project with complex seismic processing procedures. The CRS-Stack GUI software is composed by input directory, operators, and output directory, which are defined as a seismic data processing workflow. The CRS-Stack processing workflow involves four steps; i.e. automatic CMP stack, initial CRS-Stack, optimized CRS-Stack, and CRS-Stack Supergather. Those operations are visualized in an informative flowchart with self explanatory system to guide the user inputting the

  15. Project W-420 Stack Monitoring system upgrades conceptual design report

    Energy Technology Data Exchange (ETDEWEB)

    TUCK, J.A.

    1998-11-06

    This document describes the scope, justification, conceptual design, and performance of Project W-420 stack monitoring system upgrades on six NESHAP-designated, Hanford Tank Farms ventilation exhaust stacks.

  16. Heuristic Solution Approaches to the Double TSP with Multiple Stacks

    DEFF Research Database (Denmark)

    Petersen, Hanne Løhmann

    This paper introduces the Double Travelling Salesman Problem with Multiple Stacks and presents a three different metaheuristic approaches to its solution. The Double Travelling Salesman Problem with Multiple Stacks is concerned with finding the shortest route performing pickups and deliveries...

  17. Heuristic Solution Approaches to the Double TSP with Multiple Stacks

    DEFF Research Database (Denmark)

    Petersen, Hanne Løhmann

    2006-01-01

    This paper introduces the Double Travelling Salesman Problem with Multiple Stacks and presents a three different metaheuristic approaches to its solution. The Double Travelling Salesman Problem with Multiple Stacks is concerned with finding the shortest route performing pickups and deliveries...

  18. Single-Event Transgene Product Levels Predict Levels in Genetically Modified Breeding Stacks.

    Science.gov (United States)

    Gampala, Satyalinga Srinivas; Fast, Brandon J; Richey, Kimberly A; Gao, Zhifang; Hill, Ryan; Wulfkuhle, Bryant; Shan, Guomin; Bradfisch, Greg A; Herman, Rod A

    2017-09-13

    The concentration of transgene products (proteins and double-stranded RNA) in genetically modified (GM) crop tissues is measured to support food, feed, and environmental risk assessments. Measurement of transgene product concentrations in breeding stacks of previously assessed and approved GM events is required by many regulatory authorities to evaluate unexpected transgene interactions that might affect expression. Research was conducted to determine how well concentrations of transgene products in single GM events predict levels in breeding stacks composed of these events. The concentrations of transgene products were compared between GM maize, soybean, and cotton breeding stacks (MON-87427 × MON-89034 × DAS-Ø15Ø7-1 × MON-87411 × DAS-59122-7 × DAS-40278-9 corn, DAS-81419-2 × DAS-44406-6 soybean, and DAS-21023-5 × DAS-24236-5 × SYN-IR102-7 × MON-88913-8 × DAS-81910-7 cotton) and their component single events (MON-87427, MON-89034, DAS-Ø15Ø7-1, MON-87411, DAS-59122-7, and DAS-40278-9 corn, DAS-81419-2, and DAS-44406-6 soybean, and DAS-21023-5, DAS-24236-5, SYN-IR102-7, MON-88913-8, and DAS-81910-7 cotton). Comparisons were made within a crop and transgene product across plant tissue types and were also made across transgene products in each breeding stack for grain/seed. Scatter plots were generated comparing expression in the stacks to their component events, and the percent of variability accounted for by the line of identity (y = x) was calculated (coefficient of identity, I 2 ). Results support transgene concentrations in single events predicting similar concentrations in breeding stacks containing the single events. Therefore, food, feed, and environmental risk assessments based on concentrations of transgene products in single GM events are generally applicable to breeding stacks composed of these events.

  19. DEVS Models of Palletized Ground Stacking in Storeyed Grain Warehouse

    Directory of Open Access Journals (Sweden)

    Hou Shu-Yi

    2016-01-01

    Full Text Available Processed grain stored in storeyed warehouse is generally stacked on the ground without pallets. However, in order to improve the storing way, we developed a new stacking method, palletized ground stacking. Simulation should be used to present this new storing way. DEVS provides a formalized way to describe the system model. In this paper, DEVS models of palletized ground stacking in storeyed grain warehouse are given and a simulation model is developed by AutoMod.

  20. DNA-Conjugated Organic Chromophores in DNA Stacking Interactions

    DEFF Research Database (Denmark)

    Filichev, Vyacheslav V.; Pedersen, Erik Bjerregaard

    2009-01-01

    Since the discovery of the intercalation of acridine derivatives into DNA (1961), chemists have synthesized many intercalators tethered to DNA. Advances in the chemical synthesis of modified nucleosides along with progress in oligonucleotide synthesis have made it possible to introduce organic ch...

  1. Evaluation of a stack: A concrete chimney with brick liner

    International Nuclear Information System (INIS)

    Joshi, J.R.; Amin, J.A.; Porthouse, R.A.

    1995-01-01

    A 200 ft. tall stack, consisting of a concrete chimney with an independent acid proof brick liner built in the 1950's, serving the Separations facility at the Savannah River Site (SRS), was evaluated for the performance category 3 (PC3) level of Natural Phenomena Hazards (NPH) effects. The inelastic energy absorption capacity of the concrete chimney was considered in the evaluation of the earthquake resistance, in particular, to compute the F μ factor. The calculated value of F μ exceeded 3.0, while the seismic demand for the PC3 level, using an F μ value of 1.5, was found to be less than the capacity of the concrete chimney. The capacity formulation of ACI 307 was modified to incorporate the effect of an after design opening on the tension side. There are considerable uncertainties in determining the earthquake resistance of the independent brick liner. The critical liner section, located at the bottom of the breeching opening, does not meet the current recommendations. A discussion is provided for the possible acceptable values for the ''Moment Reduction Factor'', R w or F μ for the liner. Comments are provided on the comparison of stack demands using response spectra (RS) versus time history (TH) analysis, with and without soil structure interaction (SSI) effects

  2. Sport stacking motor intervention programme for children with ...

    African Journals Online (AJOL)

    The purpose of this study was to explore sport stacking as an alternative intervention approach with typically developing children and in addition to improve DCD. Sport stacking consists of participants stacking and unstacking 12 specially designed plastic cups in predetermined sequences in as little time as possible.

  3. Notes on G-theory of Deligne-Mumford stacks

    OpenAIRE

    Toen, B.

    1999-01-01

    Based on the methods used by the author to prove the Riemann-Roch formula for algebraic stacks, this paper contains a description of the rationnal G-theory of Deligne-Mumford stacks over general bases. We will use these results to study equivariant K-theory, and also to define new filtrations on K-theory of algebraic stacks.

  4. Learning algorithms for stack filter classifiers

    Energy Technology Data Exchange (ETDEWEB)

    Porter, Reid B [Los Alamos National Laboratory; Hush, Don [Los Alamos National Laboratory; Zimmer, Beate G [TEXAS A& M

    2009-01-01

    Stack Filters define a large class of increasing filter that is used widely in image and signal processing. The motivations for using an increasing filter instead of an unconstrained filter have been described as: (1) fast and efficient implementation, (2) the relationship to mathematical morphology and (3) more precise estimation with finite sample data. This last motivation is related to methods developed in machine learning and the relationship was explored in an earlier paper. In this paper we investigate this relationship by applying Stack Filters directly to classification problems. This provides a new perspective on how monotonicity constraints can help control estimation and approximation errors, and also suggests several new learning algorithms for Boolean function classifiers when they are applied to real-valued inputs.

  5. Industrial stacks design; Diseno de chimeneas industriales

    Energy Technology Data Exchange (ETDEWEB)

    Cacheux, Luis [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)

    1986-12-31

    The Instituto de Investigaciones Electricas (IIE) though its Civil Works Department, develops, under contract with CFE`s Gerencia de Proyectos Termoelectricos (Management of Fossil Power Plant Projects), a series of methods for the design of stacks, which pretends to solve the a present day problem: the stack design of the fossil power plants that will go into operation during the next coming years in the country. [Espanol] El Instituto de Investigaciones Electricas (IIE), a traves del Departamento de Ingenieria Civil, desarrolla, bajo contrato con la Gerencia de Proyectos Termoelectricos, de la Comision Federal de Electricidad (CFE), un conjunto de metodos para el diseno de chimeneas, con el que se pretende resolver un problema inmediato: el diseno de las chimeneas de las centrales termoelectricas que entraran en operacion durante los proximos anos, en el pais.

  6. Annular feed air breathing fuel cell stack

    Science.gov (United States)

    Wilson, Mahlon S.

    1996-01-01

    A stack of polymer electrolyte fuel cells is formed from a plurality of unit cells where each unit cell includes fuel cell components defining a periphery and distributed along a common axis, where the fuel cell components include a polymer electrolyte membrane, an anode and a cathode contacting opposite sides of the membrane, and fuel and oxygen flow fields contacting the anode and the cathode, respectively, wherein the components define an annular region therethrough along the axis. A fuel distribution manifold within the annular region is connected to deliver fuel to the fuel flow field in each of the unit cells. In a particular embodiment, a single bolt through the annular region clamps the unit cells together. In another embodiment, separator plates between individual unit cells have an extended radial dimension to function as cooling fins for maintaining the operating temperature of the fuel cell stack.

  7. System for inspection of stacked cargo containers

    Science.gov (United States)

    Derenzo, Stephen [Pinole, CA

    2011-08-16

    The present invention relates to a system for inspection of stacked cargo containers. One embodiment of the invention generally comprises a plurality of stacked cargo containers arranged in rows or tiers, each container having a top, a bottom a first side, a second side, a front end, and a back end; a plurality of spacers arranged in rows or tiers; one or more mobile inspection devices for inspecting the cargo containers, wherein the one or more inspection devices are removeably disposed within the spacers, the inspection means configured to move through the spacers to detect radiation within the containers. The invented system can also be configured to inspect the cargo containers for a variety of other potentially hazardous materials including but not limited to explosive and chemical threats.

  8. Multistage Force Amplification of Piezoelectric Stacks

    Science.gov (United States)

    Xu, Tian-Bing (Inventor); Siochi, Emilie J. (Inventor); Zuo, Lei (Inventor); Jiang, Xiaoning (Inventor); Kang, Jin Ho (Inventor)

    2015-01-01

    Embodiments of the disclosure include an apparatus and methods for using a piezoelectric device, that includes an outer flextensional casing, a first cell and a last cell serially coupled to each other and coupled to the outer flextensional casing such that each cell having a flextensional cell structure and each cell receives an input force and provides an output force that is amplified based on the input force. The apparatus further includes a piezoelectric stack coupled to each cell such that the piezoelectric stack of each cell provides piezoelectric energy based on the output force for each cell. Further, the last cell receives an input force that is the output force from the first cell and the last cell provides an output apparatus force In addition, the piezoelectric energy harvested is based on the output apparatus force. Moreover, the apparatus provides displacement based on the output apparatus force.

  9. Radiation-Tolerant Intelligent Memory Stack - RTIMS

    Science.gov (United States)

    Ng, Tak-kwong; Herath, Jeffrey A.

    2011-01-01

    This innovation provides reconfigurable circuitry and 2-Gb of error-corrected or 1-Gb of triple-redundant digital memory in a small package. RTIMS uses circuit stacking of heterogeneous components and radiation shielding technologies. A reprogrammable field-programmable gate array (FPGA), six synchronous dynamic random access memories, linear regulator, and the radiation mitigation circuits are stacked into a module of 42.7 42.7 13 mm. Triple module redundancy, current limiting, configuration scrubbing, and single- event function interrupt detection are employed to mitigate radiation effects. The novel self-scrubbing and single event functional interrupt (SEFI) detection allows a relatively soft FPGA to become radiation tolerant without external scrubbing and monitoring hardware

  10. Development of on-site PAFC stacks

    Energy Technology Data Exchange (ETDEWEB)

    Hotta, K.; Matsumoto, Y. [Kansai Electric Power Co., Amagasaki (Japan); Horiuchi, H.; Ohtani, T. [Mitsubishi Electric Corp., Kobe (Japan)

    1996-12-31

    PAFC (Phosphoric Acid Fuel Cell) has been researched for commercial use and demonstration plants have been installed in various sites. However, PAFC don`t have a enough stability yet, so more research and development must be required in the future. Especially, cell stack needs a proper state of three phases (liquid, gas and solid) interface. It is very difficult technology to keep this condition for a long time. In the small size cell with the electrode area of 100 cm{sup 2}, gas flow and temperature distributions show uniformity. But in the large size cell with the electrode area of 4000 cm{sup 2}, the temperature distributions show non-uniformity. These distributions would cause to be shorten the cell life. Because these distributions make hot-spot and gas poverty in limited parts. So we inserted thermocouples in short-stack for measuring three-dimensional temperature distributions and observed effects of current density and gas utilization on temperature.

  11. Study of the interaction of boron-containing amino acids for the neutron capture therapy with biologically interesting compounds by using 'three-spot zone electrophoresis'

    International Nuclear Information System (INIS)

    Kitaoka, Yoshinori; Kobayashi, Mitsue; Morimoto, Tsuguhiro; Kirihata, Mitsunori; Ichimoto, Itsuo.

    1995-01-01

    As the boron carriers for boron neutron capture therapy, p-borono phenylalanine (BPA) is the boron compound which has been clinically used together with sodium borocaptate. It was found by the electrophoresis behavior that the BPA interacted with organic carboxylic acids in its dissolved state. In this paper, the electrophoresis behavior of general amino acids as seen in three-spot zone electrophoresis and the peculiar interaction of the amino acids having dihydroxyboryl radical are described. Zone electrophoresis has been developed as separation means, and three-spot process excludes the errors due to accidental factors as far as possible. The behaviors of zone electrophoresis of ordinary neutral amino acids, orthoboric acid and p-BPA are reported. For utilizing the features of boron neutron capture therapy, it is necessary to develop the carrier which is singularly taken into cancer cells. There is not a good method for discriminating normal cells and cancer cells. As for the administration of BPA to patients, its solubility is insufficient, therefore, its fructose complex has been used. The research on the biochemical peculiarity of boron is important. (K.I.)

  12. Entropy and biological systems: experimentally-investigated entropy-driven stacking of plant photosynthetic membranes.

    Science.gov (United States)

    Jia, Husen; Liggins, John R; Chow, Wah Soon

    2014-02-24

    According to the Second Law of Thermodynamics, an overall increase of entropy contributes to the driving force for any physicochemical process, but entropy has seldom been investigated in biological systems. Here, for the first time, we apply Isothermal Titration Calorimetry (ITC) to investigate the Mg(2+)-induced spontaneous stacking of photosynthetic membranes isolated from spinach leaves. After subtracting a large endothermic interaction of MgCl₂ with membranes, unrelated to stacking, we demonstrate that the enthalpy change (heat change at constant pressure) is zero or marginally positive or negative. This first direct experimental evidence strongly suggests that an entropy increase significantly drives membrane stacking in this ordered biological structure. Possible mechanisms for the entropy increase include: (i) the attraction between discrete oppositely-charged areas, releasing counterions; (ii) the release of loosely-bound water molecules from the inter-membrane gap; (iii) the increased orientational freedom of previously-aligned water dipoles; and (iv) the lateral rearrangement of membrane components.

  13. Mesoionic Compounds

    Indian Academy of Sciences (India)

    property has been used to determine whether a compound is aromatic or not. Mesoionic compounds are structurally very different from ben- zenoid compounds, but they fulfill most of the criteria of aroma- ticity and form a part of a variety of aromatic compounds, which can be classified as follows. A) Benzenoid Compounds.

  14. CAM and stack air sampler design guide

    International Nuclear Information System (INIS)

    Phillips, T.D.

    1994-01-01

    About 128 air samplers and CAMs presently in service to detect and document potential radioactive release from 'H' and 'F' area tank farm ventilation stacks are scheduled for replacement and/or upgrade by Projects S-5764, S-2081, S-3603, and S-4516. The seven CAMs scheduled to be upgraded by Project S-4516 during 1995 are expected to provide valuable experience for the three remaining projects. The attached document provides design guidance for the standardized High Level Waste air sampling system

  15. Contemporary sample stacking in analytical electrophoresis

    Czech Academy of Sciences Publication Activity Database

    Malá, Zdeňka; Gebauer, Petr; Boček, Petr

    2011-01-01

    Roč. 32, č. 1 (2011), s. 116-126 ISSN 0173-0835 R&D Projects: GA ČR GA203/08/1536; GA ČR GAP206/10/1219; GA AV ČR IAA400310703 Institutional research plan: CEZ:AV0Z40310501 Keywords : biological samples * stacking * trace analysis * zone electrophoresis Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.303, year: 2011

  16. Stacked Switched Capacitor Energy Buffer Architecture

    OpenAIRE

    Chen, Minjie; Perreault, David J.; Afridi, Khurram

    2012-01-01

    Electrolytic capacitors are often used for energy buffering applications, including buffering between single-phase ac and dc. While these capacitors have high energy density compared to film and ceramic capacitors, their life is limited. This paper presents a stacked switched capacitor (SSC) energy buffer architecture and some of its topological embodiments, which when used with longer life film capacitors overcome this limitation while achieving effective energy densities comparable to elect...

  17. Physical properties of layered homologous RE-B-C(N) compounds

    International Nuclear Information System (INIS)

    Mori, Takao; Zhang Fuxiang; Leithe-Jasper, Andreas

    2004-01-01

    Physical properties of a series of homologous RE-B-C(N) B 12 cluster compounds REB 17 CN, REB 22 C 2 N, and REB 28.5 C 4 (RE=Er,Ho) were investigated. The structures of the compounds are layer-like along the c-axis, with rare earth and B 6 octahedral layers separated by B 12 icosahedral and C-B-C chain layers whose number increases successively from two B 12 layers for the REB 17 CN compound to four for the REB 28.5 C 4 compound. The rare earth atoms are configured in two triangular flat layers which are stacked on top of one another in AB stacking where the nearest-neighbor rare earth directions are the three atoms forming a triangle in the adjacent layer. The series of homologous compounds exhibit a spin glass transition with T f shifting in correspondence with variations of the basal plane lattice constants, consistent with the magnetic interaction being effective in the basal planes. The isothermal remanent magnetization shows a stretched exponential decay I m (t)∝ exp[-Ct -(1-n) ]. Exponents determined for the different homologous compounds were scaled as a function of T r =T/T f and found to follow the empirical dependency determined for typical spin glasses. It is indicated that a mixture of disorder originating from the partial occupancy of the rare earth sites and frustration of interactions due to the unique configuration is responsible for the manifestation of spin glass transitions in these homologous systems

  18. When is stacking confusing? The impact of confusion on stacking in deep H I galaxy surveys

    Science.gov (United States)

    Jones, Michael G.; Haynes, Martha P.; Giovanelli, Riccardo; Papastergis, Emmanouil

    2016-01-01

    We present an analytic model to predict the H I mass contributed by confused sources to a stacked spectrum in a generic H I survey. Based on the ALFALFA (Arecibo Legacy Fast ALFA) correlation function, this model is in agreement with the estimates of confusion present in stacked Parkes telescope data, and was used to predict how confusion will limit stacking in the deepest Square Kilometre Array precursor H I surveys. Stacking with LADUMA (Looking At the Distant Universe with MeerKAT) and DINGO UDEEP (Deep Investigation of Neutral Gas Origins - Ultra Deep) data will only be mildly impacted by confusion if their target synthesized beam size of 10 arcsec can be achieved. Any beam size significantly above this will result in stacks that contain a mass in confused sources that is comparable to (or greater than) that which is detectable via stacking, at all redshifts. CHILES (COSMOS H I Large Extragalactic Survey) 5 arcsec resolution is more than adequate to prevent confusion influencing stacking of its data, throughout its bandpass range. FAST (Five hundred metre Aperture Spherical Telescope) will be the most impeded by confusion, with H I surveys likely becoming heavily confused much beyond z = 0.1. The largest uncertainties in our model are the redshift evolution of the H I density of the Universe and the H I correlation function. However, we argue that the two idealized cases we adopt should bracket the true evolution, and the qualitative conclusions are unchanged regardless of the model choice. The profile shape of the signal due to confusion (in the absence of any detection) was also modelled, revealing that it can take the form of a double Gaussian with a narrow and wide component.

  19. Thyristor stack for pulsed inductive plasma generation.

    Science.gov (United States)

    Teske, C; Jacoby, J; Schweizer, W; Wiechula, J

    2009-03-01

    A thyristor stack for pulsed inductive plasma generation has been developed and tested. The stack design includes a free wheeling diode assembly for current reversal. Triggering of the device is achieved by a high side biased, self supplied gate driver unit using gating energy derived from a local snubber network. The structure guarantees a hard firing gate pulse for the required high dI/dt application. A single fiber optic command is needed to achieve a simultaneous turn on of the thyristors. The stack assembly is used for switching a series resonant circuit with a ringing frequency of 30 kHz. In the prototype pulsed power system described here an inductive discharge has been generated with a pulse duration of 120 micros and a pulse energy of 50 J. A maximum power transfer efficiency of 84% and a peak power of 480 kW inside the discharge were achieved. System tests were performed with a purely inductive load and an inductively generated plasma acting as a load through transformer action at a voltage level of 4.1 kV, a peak current of 5 kA, and a current switching rate of 1 kA/micros.

  20. Electrochemical Detection in Stacked Paper Networks.

    Science.gov (United States)

    Liu, Xiyuan; Lillehoj, Peter B

    2015-08-01

    Paper-based electrochemical biosensors are a promising technology that enables rapid, quantitative measurements on an inexpensive platform. However, the control of liquids in paper networks is generally limited to a single sample delivery step. Here, we propose a simple method to automate the loading and delivery of liquid samples to sensing electrodes on paper networks by stacking multiple layers of paper. Using these stacked paper devices (SPDs), we demonstrate a unique strategy to fully immerse planar electrodes by aqueous liquids via capillary flow. Amperometric measurements of xanthine oxidase revealed that electrochemical sensors on four-layer SPDs generated detection signals up to 75% higher compared with those on single-layer paper devices. Furthermore, measurements could be performed with minimal user involvement and completed within 30 min. Due to its simplicity, enhanced automation, and capability for quantitative measurements, stacked paper electrochemical biosensors can be useful tools for point-of-care testing in resource-limited settings. © 2015 Society for Laboratory Automation and Screening.

  1. Adsorption and correlations of selected aromatic compounds on a KOH-activated carbon with large surface area.

    Science.gov (United States)

    Yang, Kun; Zhu, Lianghong; Yang, Jingjing; Lin, Daohui

    2018-03-15

    Knowledge of adsorption mechanism and behavior of organic compounds by KOH-activated carbons (KOH-ACs) from wastewater is crucial to its environmental application in wastewater treatment as adsorbent. A superior adsorbent, KOH-activated carbon (KOH-AC), with large surface area (3143m 2 /g), total pore volume of 2.03cm 3 /g, relatively low micropore fraction of 53.2%, and having adsorption capacities of organic compounds up to >1000mg/g, was prepared. It is an adsorbent significantly different with common ACs because the molecular sieving effect, widely observed for common ACs, is insignificant for KOH-AC. This difference could be attributed to the lower micropore fraction of KOH-AC than common ACs. A negative relationship of adsorption capacity of 25 aromatic compounds (including phenols, anilines, nitrobenzenes and polycyclic aromatic hydrocarbons) with chemical melting point was observed, suggesting that adsorption is dependent on the packing efficiency and stacking density of molecules on KOH-AC. A linear solvation energy relationships of adsorption affinity of 25 aromatic compounds with solute solvatochromic parameters was also observed, that can be used to quantify the contributions of π-π interaction, hydrogen-bonding interaction and hydrophobic effect to adsorption on KOH-AC. Combined with the reported results of adsorption of organic compounds on carbon nanotubes and biochars, it was also observed that external surface area of adsorbents is controlling the packing efficiency and stacking density of molecules on adsorbents and thus affecting adsorption capacity of organic compounds. Moreover, micropore surface area and the fraction of micropores are the adsorbent properties mainly affecting adsorption affinity of organic compounds. The observations and the developed correlations in this study would be helpful in the application of KOH-AC as superior adsorbent by enhancing the understanding of adsorption mechanisms of organic compounds on KOH-AC and by

  2. Application of current steps and design of experiments methodology to the detection of water management faults in a proton exchange membrane fuel cell stack

    Science.gov (United States)

    Moçotéguy, Philippe; Ludwig, Bastian; Yousfi Steiner, Nadia

    2016-01-01

    We apply a 25-1 fractional factorial Design of Experiments (DoE) test plan in order to discriminate the direct effects and interactions of five factors on the water management of a 500 We PEMFC stack. The stack is submitted to current steps between different operating levels and several responses are extracted for the DoE analysis. A strong ageing effect on stack and cell performances is observed. Therefore, in order to perform the DoE analysis, responses which values are too strongly affected by ageing are ;corrected; prior to the analysis. A ;virtual; stack, considered as ;healthy;, is also ;reconstructed; by ;putting in series; the cells exhibiting very low performance drop. The results show that stacks and cells' resistivities are mostly impacted by direct effects of both temperature and cathodic inlet relative humidity and by compensating interaction between temperature and anodic overstoichiometric ratio. It also appears that two responses are able to distinguish a ;healthy; stack from a degraded stack: heterogeneities in cell voltages and cell resistivities distributions. They are differently impacted by considered effects and interactions. Thus, a customised water management strategy could be developed, depending on the stack's state of health to maintain it in the best possible operating conditions.

  3. Guanine base stacking in G-quadruplex nucleic acids

    Science.gov (United States)

    Lech, Christopher Jacques; Heddi, Brahim; Phan, Anh Tuân

    2013-01-01

    G-quadruplexes constitute a class of nucleic acid structures defined by stacked guanine tetrads (or G-tetrads) with guanine bases from neighboring tetrads stacking with one another within the G-tetrad core. Individual G-quadruplexes can also stack with one another at their G-tetrad interface leading to higher-order structures as observed in telomeric repeat-containing DNA and RNA. In this study, we investigate how guanine base stacking influences the stability of G-quadruplexes and their stacked higher-order structures. A structural survey of the Protein Data Bank is conducted to characterize experimentally observed guanine base stacking geometries within the core of G-quadruplexes and at the interface between stacked G-quadruplex structures. We couple this survey with a systematic computational examination of stacked G-tetrad energy landscapes using quantum mechanical computations. Energy calculations of stacked G-tetrads reveal large energy differences of up to 12 kcal/mol between experimentally observed geometries at the interface of stacked G-quadruplexes. Energy landscapes are also computed using an AMBER molecular mechanics description of stacking energy and are shown to agree quite well with quantum mechanical calculated landscapes. Molecular dynamics simulations provide a structural explanation for the experimentally observed preference of parallel G-quadruplexes to stack in a 5′–5′ manner based on different accessible tetrad stacking modes at the stacking interfaces of 5′–5′ and 3′–3′ stacked G-quadruplexes. PMID:23268444

  4. About the nature of competing interactions in cerium based 1-9-4 compounds; Ueber die Natur konkurrierender Wechselwirkungen in Cer-basierten 1-9-4 Verbindungen

    Energy Technology Data Exchange (ETDEWEB)

    Gold, Christian

    2014-02-04

    In addition to the high-temperature superconductors, the so-called heavy fermion systems are among the most fascinating representatives of strongly correlated electron systems. Caused by the competition of Kondo effect, RKKY interaction and electrostatic crystal field effects these compounds reveal a wide variety of different ground state properties. For example, many of these systems are located in the vicinity of a magnetic instability. At such a quantum critical point a continuous transition between two states with different symmetry occurs at absolute zero temperature. Apart from the three classic tuning parameters (i) chemical substitution, (ii) hydrostatic pressure, and (iii) external magnetic field also the reduction of the effective spin degeneracy N, i.e. the reduction of the number of crystal field levels which are shielded by the Kondo effect seems to induce quantum critical behavior. The proximity to a quantum critical point together with an unusually high effective spin degeneracy of N=4 make the ternary 1-9-4 compound CeNi{sub 9}Ge{sub 4} the perfect starting system for experimental studies of this new parameter. For the first and so far only time such a scenario could be observed in the substitution series CeNi{sub 9-x}Cu{sub x}Ge{sub 4} (0≤x≤1). Extensive studies show that in this system quantum criticality is not only caused by the balance between Kondo effect and RKKY interaction but also by a reduction of the effective spin degeneracy. The results on the copper series provided the incentive to synthesize and analyze related systems with regard to quantum criticality in the scope of this work. The focus here was on the systems CeNi{sub 9}Ge{sub 4-x}Si{sub x}, CeNi{sub 9}Ge{sub 4-x}Ga{sub x}, CeNi{sub 9-x}Fe{sub x}Ge{sub 4} and CeNi{sub 9-x}Co{sub x}Ge{sub 4}. This thesis was methodologically supported by X-ray studies, theoretical LDA+U calculations and extensive thermodynamic and magnetic investigations on the macroscopic and microscopic

  5. Graphene-Based Materials as Solid Phase Extraction Sorbent for Trace Metal Ions, Organic Compounds, and Biological Sample Preparation.

    Science.gov (United States)

    Ibrahim, Wan Aini Wan; Nodeh, Hamid Rashidi; Sanagi, Mohd Marsin

    2016-07-03

    Graphene is a new carbon-based material that is of interest in separation science. Graphene has extraordinary properties including nano size, high surface area, thermal and chemical stability, and excellent adsorption affinity to pollutants. Its adsorption mechanisms are through non-covalent interactions (π-π stacking, electrostatic interactions, and H-bonding) for organic compounds and covalent interactions for metal ions. These properties have led to graphene-based material becoming a desirable adsorbent in a popular sample preparation technique known as solid phase extraction (SPE). Numerous studies have been published on graphene applications in recent years, but few review papers have focused on its applications in analytical chemistry. This article focuses on recent preconcentration of trace elements, organic compounds, and biological species using SPE-based graphene, graphene oxide, and their modified forms. Solid phase microextraction and micro SPE (µSPE) methods based on graphene are discussed.

  6. Plume trajectory formation under stack tip self-enveloping

    Science.gov (United States)

    Gribkov, A. M.; Zroichikov, N. A.; Prokhorov, V. B.

    2017-10-01

    The phenomenon of stack tip self-enveloping and its influence upon the conditions of plume formation and on the trajectory of its motion are considered. Processes are described occurring in the initial part of the plume while the interaction between vertically directed flue gases outflowing from the stack and a horizontally directed moving air flow at high wind velocities that lead to the formation of a flag-like plume. Conditions responsible for the origin and evolution of interaction between these flows are demonstrated. For the first time, a plume formed under these conditions without bifurcation is registered. A photo image thereof is presented. A scheme for the calculation of the motion of a plume trajectory is proposed, the quantitative characteristics of which are obtained based on field observations. The wind velocity and direction, air temperature, and atmospheric turbulence at the level of the initial part of the trajectory have been obtained based on data obtained from an automatic meteorological system (mounted on the outer parts of a 250 m high stack no. 1 at the Naberezhnye Chelny TEPP plant) as well as based on the results of photographing and theodolite sighting of smoke puffs' trajectory taking into account their velocity within its initial part. The calculation scheme is supplemented with a new acting force—the force of self-enveloping. Based on the comparison of the new calculation scheme with the previous one, a significant contribution of this force to the development of the trajectory is revealed. A comparison of the natural full-scale data with the results of the calculation according to the proposed new scheme is made. The proposed calculation scheme has allowed us to extend the application of the existing technique to the range of high wind velocities. This approach would make it possible to simulate and investigate the trajectory and full rising height of the calculated the length above the mouth of flue-pipes, depending on various modal

  7. A revised classification and terminology for stacked and amalgamated turbidites in environments dominated by (hemi)pelagic sedimentation

    Science.gov (United States)

    Van Daele, Maarten; Meyer, Inka; Moernaut, Jasper; De Decker, Steven; Verschuren, Dirk; De Batist, Marc

    2017-07-01

    Stacked or amalgamated turbidites provide an opportunity to infer the synchronous triggering of multiple slope failures, which is a criterion often used to attribute these slope failures to earthquake shaking; and such turbidites are thus a proxy for reconstructing long-term earthquake recurrence. However, other processes, such as erosion, reflecting turbidity currents and seiching, may produce similar amalgamated/stacked deposits. Here we study two turbidites from Lake Challa, a crater lake on the lower slopes of Kilimanjaro (Kenya/Tanzania). The occurrence in Lake Challa of both single slope failures and basin-wide landslide events, all accompanied by distal turbidites, provides an excellent opportunity to assess the characteristics and significance of amalgamated/stacked turbidites in an enclosed lake basin with diatomaceous sediments, reflecting hemipelagic sedimentation in offshore areas. We also compare the characteristics of amalgamated/stacked turbidites in basins other than Lake Challa to discuss potential causes of different amalgamation patterns (stacked or multi-pulsed character). The low density and elongated shape of diatom frustules increases grain-to-grain interaction and thereby damps turbulence, resulting in faster bed aggradation and a stacked character of the amalgamated turbidites. Finally, as currently both synchronously and non-synchronously triggered turbidites are in literature referred to as ;stacked turbidite;, we propose a revised terminology that differentiates an ;amalgamated turbidite; from a ;turbidite stack;. In sedimentary environments that are dominated by (hemi)pelagic sedimentation, and where turbidity currents are anomalous events, an ;amalgamated turbidite; can often be shown to be the result of synchronous triggering, while a ;turbidite stack; must always result from a succession of discrete events.

  8. Opposing effects of stacking faults and antisite domain boundaries on the conduction band edge in kesterite quaternary semiconductors

    Science.gov (United States)

    Park, Ji-Sang; Kim, Sunghyun; Walsh, Aron

    2018-01-01

    We investigated stability and the electronic structure of extended defects including antisite domain boundaries and stacking faults in the kesterite-structured semiconductors, Cu2ZnSnS4 (CZTS) and Cu2ZnSnSe4 (CZTSe). Our hybrid density functional theory calculations show that stacking faults in CZTS and CZTSe induce a higher conduction band edge than the bulk counterparts, and thus the stacking faults act as electron barriers. Antisite domain boundaries, however, accumulate electrons as the conduction band edge is reduced in energy, having an opposite role. An Ising model was constructed to account for the stability of stacking faults, which shows the nearest-neighbor interaction is stronger in the case of the selenide.

  9. INTERACT

    DEFF Research Database (Denmark)

    Jochum, Elizabeth; Borggreen, Gunhild; Murphey, TD

    This paper considers the impact of visual art and performance on robotics and human-computer interaction and outlines a research project that combines puppetry and live performance with robotics. Kinesics—communication through movement—is the foundation of many theatre and performance traditions...... including puppetry and dance. However, the aesthetics of these traditions vary across cultures and carry different associative and interpretive meanings. Puppetry offers a useful frame for understanding the relationship between abstract and imitative gestures and behavior, and instantiates the complex...... interaction between a human operator and an artificial actor or agent. We can apply insights from puppetry to develop culturally-aware robots. Here we describe the development of a robotic marionette theatre wherein robotic controllers assume the role of human puppeteers. The system has been built, tested...

  10. Interactions

    DEFF Research Database (Denmark)

    The main theme of this anthology is the unique interaction between mathematics, physics and philosophy during the beginning of the 20th century. Seminal theories of modern physics and new fundamental mathematical structures were discovered or formed in this period. Significant physicists such as ......The main theme of this anthology is the unique interaction between mathematics, physics and philosophy during the beginning of the 20th century. Seminal theories of modern physics and new fundamental mathematical structures were discovered or formed in this period. Significant physicists...... such as Lorentz and Einstein as well as mathematicians such as Poincare, Minkowski, Hilbert and Weyl contributed to this development. They created the new physical theories and the mathematical disciplines that play such paramount roles in their mathematical formulations. These physicists and mathematicians were...... also key figures in the philosophical discussions of nature and science - from philosophical tendencies like logical empiricism via critical rationalism to various neo-Kantian trends....

  11. Quinoxaline-2-carboxamide as a carrier ligand in two new platinum(ii) compounds: Synthesis, crystal structure, cytotoxic activity and DNA interaction

    NARCIS (Netherlands)

    Marques Gallego, P.; Amparo Gamiz-Gonzalez, M.; Fortea-Pérez, F. R.; Lutz, M.; Spek, A.L.; Pevec, A.; Kozlevar, B.; Reedijk, J.

    2010-01-01

    The search for platinum compounds structurally different from cisplatin has led to two new platinum(II) compounds containing quinoxaline-2-carboxamide as a carrier ligand, i.e. cis-[Pt(qnxca)(MeCN)Cl2] (1) and the [Pt(qnxca−H)(dmso)Cl] (2). Both compounds have been synthesized and characterized

  12. Improved Direct Methanol Fuel Cell Stack

    Science.gov (United States)

    Wilson, Mahlon S.; Ramsey, John C.

    2005-03-08

    A stack of direct methanol fuel cells exhibiting a circular footprint. A cathode and anode manifold, tie-bolt penetrations and tie-bolts are located within the circular footprint. Each fuel cell uses two graphite-based plates. One plate includes a cathode active area that is defined by serpentine channels connecting the inlet and outlet cathode manifold. The other plate includes an anode active area defined by serpentine channels connecting the inlet and outlet of the anode manifold, where the serpentine channels of the anode are orthogonal to the serpentine channels of the cathode. Located between the two plates is the fuel cell active region.

  13. NSF tandem stack support structure deflection characteristics

    International Nuclear Information System (INIS)

    Cook, J.

    1979-12-01

    Results are reported of load tests carried out on the glass legs of the insulating stack of the 30 MV tandem Van de Graaff accelerator now under construction at Daresbury Laboratory. The tests to investigate the vulnerability of the legs when subjected to tensile stresses were designed to; establish the angle of rotation of the pads from which the stresses in the glass legs may be calculated, proof-test the structure and at the same time reveal any asymmetry in pad rotations or deflections, and to confirm the validity of the computer design analysis. (UK)

  14. Compliant Glass Seals for SOFC Stacks

    Energy Technology Data Exchange (ETDEWEB)

    Chou, Yeong -Shyung [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Choi, Jung-Pyung [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Xu, Wei [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Stephens, Elizabeth V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Koeppel, Brian J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Stevenson, Jeffry W. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lara-Curzio, Edgar [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2014-04-30

    This report summarizes results from experimental and modeling studies performed by participants in the Solid-State Energy Conversion Alliance (SECA) Core Technology Program, which indicate that compliant glass-based seals offer a number of potential advantages over conventional seals based on de-vitrifying glasses, including reduced stresses during stack operation and thermal cycling, and the ability to heal micro-damage induced during thermal cycling. The properties and composition of glasses developed and/or investigated in these studies are reported, along with results from long-term (up to 5,800h) evaluations of seals based on a compliant glass containing ceramic particles or ceramic fibers.

  15. Effects of combustible stacking in large compartments

    DEFF Research Database (Denmark)

    Gentili, Filippo; Giuliani, Luisa; Bontempi, Franco

    2013-01-01

    This paper focuses on the modelling of fire in case of various distributions of combustible materials in a large compartment. Large compartments often represent a challenge for structural fire safety, because of lack of prescriptive rules to follow and difficulties of taking into account the effect...... to different stacking configurations of the pallets with the avail of a CFD code. The results in term of temperatures of the hot gasses and of the steel elements composing the structural system are compared with simplified analytical model of localized and post-flashover fires, with the aim of highlighting...

  16. Displacive phase transformations and generalized stacking faults

    Czech Academy of Sciences Publication Activity Database

    Paidar, Václav; Ostapovets, Andriy; Duparc, O. H.; Khalfallah, O.

    2012-01-01

    Roč. 122, č. 3 (2012), s. 490-492 ISSN 0587-4246. [International Symposium on Physics of Materials, ISPMA /12./. Praha, 04.09.2011-08.09.2011] R&D Projects: GA AV ČR IAA100100920 Institutional research plan: CEZ:AV0Z10100520 Keywords : ab-initio calculations * close-packed structures * generalized stacking faults * homogeneous deformation * lattice deformation * many-body potentials Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.531, year: 2012

  17. Hyperfine interaction measurements in biological compounds: the case of hydroxyapatite; Medidas de interacoes hiperfinas em compostos biologicos: o caso da hidroxiapatita

    Energy Technology Data Exchange (ETDEWEB)

    Leite Neto, Osmar Flavio da Silveira

    2014-07-01

    The use o nanoparticles in current medicine are under intense investigation. The possible advantages proposed by these systems are very impressive and the results may be quite schemer. In this scenario, the association of nanoparticles with radioactive materials (radionuclide) may be the most important step since the discovery of radioactive for nuclear medicine and radiopharmacy, especially for cancer targeting and therapy. The hyperfine interaction of the nuclear probe {sup 111}Cd in the Hydroxyapatite compounds has been investigated by perturbed angular correlation (PAC) spectroscopy in room temperature for the hydroxyapatite made in the temperatures of 90°C, 35°C and with Ho doped, both thermalized and not. The thermalized samples were heated to T= 1273 K for 6 h. The {sup 111}Cd was broadcast in the structure of the material by diffusion, closing in quartz tubes were heated – together with the radioactive PAC probe {sup 111}In/{sup 111}Cd to T = 1073 K for 12 h. In not thermalized samples the PAC spectra indicate a distribution of frequency, but in the thermalized samples, the PAC spectra shows the presence of β-tri calcium phosphate in the structure of this kind of Hydroxyapatite. (author)

  18. www.kanjidatabase.com: a new interactive online database for psychological and linguistic research on Japanese kanji and their compound words.

    Science.gov (United States)

    Tamaoka, Katsuo; Makioka, Shogo; Sanders, Sander; Verdonschot, Rinus G

    2017-05-01

    Most experimental research making use of the Japanese language has involved the 1945 officially standardized kanji (Japanese logographic characters) in the Jōyō kanji list (originally announced by the Japanese government in 1981). However, this list was extensively modified in 2010: five kanji were removed and 196 kanji were added; the latest revision of the list now has a total of 2136 kanji. Using an up-to-date corpus consisting of 11 years' worth of articles printed in the Mainichi Newspaper (2000-2010), we have constructed two novel databases that can be used in psychological research using the Japanese language: (1) a database containing a wide variety of properties on the latest 2136 Jōyō kanji, and (2) a novel database containing 27,950 two-kanji compound words (or jukugo). Based on these two databases, we have created an interactive website ( www.kanjidatabase.com ) to retrieve and store linguistic information to be used in psychological and linguistic experiments. The present paper reports the most important characteristics for the new databases, as well as their value for experimental psychological and linguistic research.

  19. INTERACT

    DEFF Research Database (Denmark)

    Jochum, Elizabeth; Borggreen, Gunhild; Murphey, TD

    This paper considers the impact of visual art and performance on robotics and human-computer interaction and outlines a research project that combines puppetry and live performance with robotics. Kinesics—communication through movement—is the foundation of many theatre and performance traditions...... including puppetry and dance. However, the aesthetics of these traditions vary across cultures and carry different associative and interpretive meanings. Puppetry offers a useful frame for understanding the relationship between abstract and imitative gestures and behavior, and instantiates the complex...

  20. Sampled-time control of a microbial fuel cell stack

    Science.gov (United States)

    Boghani, Hitesh C.; Dinsdale, Richard M.; Guwy, Alan J.; Premier, Giuliano C.

    2017-07-01

    Research into microbial fuel cells (MFCs) has reached the point where cubic metre-scale systems and stacks are being built and tested. Apart from performance enhancement through catalysis, materials and design, an important research area for industrial applicability is stack control, which can enhance MFCs stack power output. An MFC stack is controlled using a sampled-time digital control strategy, which has the advantage of intermittent operation with consequent power saving, and when used in a hybrid series stack connectivity, can avoid voltage reversals. A MFC stack comprising four tubular MFCs was operated hydraulically in series. Each MFC was connected to an independent controller and the stack was connected electrically in series, creating a hybrid-series connectivity. The voltage of each MFC in the stack was controlled such that the overall series stack voltage generated was the algebraic sum (1.26 V) of the individual MFC voltages (0.32, 0.32, 0.32 and 0.3). The controllers were able to control the individual voltages to the point where 2.52 mA was drawn from the stack at a load of 499.9 Ω (delivering 3.18 mW). The controllers were able to reject the disturbances and perturbations caused by electrical loading, temperature and substrate concentration.

  1. AC impedance diagnosis of a 500 W PEM fuel cell stack . Part I: Stack impedance

    Science.gov (United States)

    Yuan, Xiaozi; Sun, Jian Colin; Blanco, Mauricio; Wang, Haijiang; Zhang, Jiujun; Wilkinson, David P.

    Diagnosis of stack performance is of importance to proton exchange membrane (PEM) fuel cell research. This paper presents the diagnostic testing results of a 500 W Ballard Mark V PEM fuel cell stack with an active area of 280 cm 2 by electrochemical impedance spectroscopy (EIS). The EIS was measured using a combination of a FuelCon test station, a TDI loadbank, and a Solartron 1260 Impedance/Gain-Phase Analyzer operating in the galvanostatic mode. The method described in this work can obtain the impedance spectra of fuel cells with a larger geometric surface area and power, which are normally difficult to measure due to the limitations on commercial load banks operating at high currents. By using this method, the effects of temperature, flow rate, and humidity on the stack impedance spectra were examined. The results of the electrochemical impedance analysis show that with increasing temperature, the charge transfer resistance decreases due to the slow oxygen reduction reaction (ORR) process at low temperature. If the stack is operated at a fixed air flow rate, a low frequency arc appears and grows with increasing current due to the shortage of air. The anode humidification cut-off does not affect the spectra compared to the cut-off for cathode humidification.

  2. Annular feed air breathing fuel cell stack

    Science.gov (United States)

    Wilson, Mahlon S.; Neutzler, Jay K.

    1997-01-01

    A stack of polymer electrolyte fuel cells is formed from a plurality of unit cells where each unit cell includes fuel cell components defining a periphery and distributed along a common axis, where the fuel cell components include a polymer electrolyte membrane, an anode and a cathode contacting opposite sides of the membrane, and fuel and oxygen flow fields contacting the anode and the cathode, respectively, wherein the components define an annular region therethrough along the axis. A fuel distribution manifold within the annular region is connected to deliver fuel to the fuel flow field in each of the unit cells. The fuel distribution manifold is formed from a hydrophilic-like material to redistribute water produced by fuel and oxygen reacting at the cathode. In a particular embodiment, a single bolt through the annular region clamps the unit cells together. In another embodiment, separator plates between individual unit cells have an extended radial dimension to function as cooling fins for maintaining the operating temperature of the fuel cell stack.

  3. Stacking Analysis of Binary Systems with HAWC

    Science.gov (United States)

    Brisbois, Chad; HAWC Collaboration

    2017-01-01

    Detecting binary systems at TeV energies is an important problem because only a handful of such systems are currently known. The nature of such systems is typically thought to be composed of a compact object and a massive star. The TeV emission from these systems does not obviously correspond to emission in GeV or X-ray, where many binary systems have previously been found. This study focuses on a stacking method to detect TeV emission from LS 5039, a known TeV binary, to test its efficacy in HAWC data. Stacking is a widely employed method for increasing signal to noise ratio in optical astronomy, but has never been attempted previously with HAWC. HAWC is an ideal instrument to search for TeV binaries, because of its wide field of view and high uptime. Applying this method to the entire sky may allow HAWC to detect binary sources of very short or very long periods not sensitive to current analyses. NSF, DOE, Los Alamos, Michigan Tech, CONACyt, UNAM, BUAP.

  4. High performance zinc air fuel cell stack

    Science.gov (United States)

    Pei, Pucheng; Ma, Ze; Wang, Keliang; Wang, Xizhong; Song, Mancun; Xu, Huachi

    2014-03-01

    A zinc air fuel cell (ZAFC) stack with inexpensive manganese dioxide (MnO2) as the catalyst is designed, in which the circulation flowing potassium hydroxide (KOH) electrolyte carries the reaction product away and acts as a coolant. Experiments are carried out to investigate the characteristics of polarization, constant current discharge and dynamic response, as well as the factors affecting the performance and uniformity of individual cells in the stack. The results reveal that the peak power density can be as high as 435 mW cm-2 according to the area of the air cathode sheet, and the influence factors on cell performance and uniformity are cell locations, filled state of zinc pellets, contact resistance, flow rates of electrolyte and air. It is also shown that the time needed for voltages to reach steady state and that for current step-up or current step-down are both in milliseconds, indicating the ZAFC can be excellently applied to vehicles with rapid dynamic response demands.

  5. Generalized stacking fault energies of alloys.

    Science.gov (United States)

    Li, Wei; Lu, Song; Hu, Qing-Miao; Kwon, Se Kyun; Johansson, Börje; Vitos, Levente

    2014-07-02

    The generalized stacking fault energy (γ surface) provides fundamental physics for understanding the plastic deformation mechanisms. Using the ab initio exact muffin-tin orbitals method in combination with the coherent potential approximation, we calculate the γ surface for the disordered Cu-Al, Cu-Zn, Cu-Ga, Cu-Ni, Pd-Ag and Pd-Au alloys. Studying the effect of segregation of the solute to the stacking fault planes shows that only the local chemical composition affects the γ surface. The calculated alloying trends are discussed using the electronic band structure of the base and distorted alloys.Based on our γ surface results, we demonstrate that the previous revealed 'universal scaling law' between the intrinsic energy barriers (IEBs) is well obeyed in random solid solutions. This greatly simplifies the calculations of the twinning measure parameters or the critical twinning stress. Adopting two twinnability measure parameters derived from the IEBs, we find that in binary Cu alloys, Al, Zn and Ga increase the twinnability, while Ni decreases it. Aluminum and gallium yield similar effects on the twinnability.

  6. Computerized plutonium laboratory-stack monitoring system

    International Nuclear Information System (INIS)

    Stafford, R.G.; DeVore, R.K.

    1977-01-01

    The Los Alamos Scientific Laboratory has recently designed and constructed a Plutonium Research and Development Facility to meet design criteria imposed by the United States Energy Research and Development Administration. A primary objective of the design criteria is to assure environmental protection and to reliably monitor plutonium effluent via the ventilation exhaust systems. A state-of-the-art facility exhaust air monitoring system is described which establishes near ideal conditions for evaluating plutonium activity in the stack effluent. Total and static pressure sensing manifolds are incorporated to measure average velocity and integrated total discharge air volume. These data are logged at a computer which receives instrument data through a multiplex scanning system. A multipoint isokinetic sampling assembly with associated instrumentation is described. Continuous air monitors have been designed to sample from the isokinetic sampling assembly and transmit both instantaneous and integrated stack effluent concentration data to the computer and various cathode ray tube displays. The continuous air monitors also serve as room air monitors in the plutonium facility with the primary objective of timely evacuation of personnel if an above tolerance airborne plutonium concentration is detected. Several continuous air monitors are incorporated in the ventilation system to assist in identification of release problem areas

  7. Nature of Interlayer Binding and Stacking of sp–sp 2 Hybridized Carbon Layers: A Quantum Monte Carlo Study

    International Nuclear Information System (INIS)

    Shin, Hyeondeok; Lee, Hoonkyung; Heinonen, Olle; Benali, Anouar; Kwon, Yongkyung

    2017-01-01

    α-graphyne is a two-dimensional sheet of sp-sp2 hybridized carbon atoms in a honeycomb lattice. While the geometrical structure is similar to that of graphene, the hybridized triple bonds give rise to electronic structure that is different from that of graphene. Similar to graphene, α-graphyne can be stacked in bilayers with two stable configurations, but the different stackings have very different electronic structures: one is predicted to have gapless parabolic bands and the other a tunable bandgap which is attractive for applications. In order to realize applications, it is crucial to understand which stacking is more stable. This is difficult to model, as the stability is a result of weak interlayer van der Waals interactions which are not well captured by density functional theory (DFT). We have used quantum Monte Carlo simulations that accurately include van der Waals interactions to calculate the interlayer binding energy of bilayer graphyne and to determine its most stable stacking mode. Our results show that inter-layer bindings of sp- and sp2-bonded carbon networks are significantly underestimated in a Kohn-Sham DFT approach, even with an exchange-correlation potential corrected to include, in some approximation, van der Waals interactions. Finally, our quantum Monte Carlo calculations reveal that the interlayer binding energy difference between the two stacking modes is only 0.9(4) eV/atom. From this we conclude that the two stable stacking modes of bilayer α-graphyne are almost degenerate with each other, and both will occur with about the same probability at room temperature unless there is a synthesis path that prefers one stacking over the other.

  8. Prolonged incubation and stacked film exposure improve sensitivity in western blotting.

    Science.gov (United States)

    Luo, Haitao; Rankin, Gary O; Straley, Shannon; Chen, Yi Charlie

    2011-01-01

    Western blotting is a basic technique for protein detection. For proteins of less abundance or antibodies of poorer quality, an increased sensitivity is often desired. Although it is commonly known that higher concentrations of antibodies and prolonged film exposure times will help improve sensitivity in western blots, both measures come with their own risks, and it is often unclear to which extent these measures should be applied. We conducted time-course studies to investigate protein-antibody interactions and primary antibody-secondary antibody interactions in western blotting. We also propose a protocol of stacked film exposure and have tested it in standard curves and cancer cell samples. Our study found that protein-primary antibody interactions and primary antibody-secondary antibody interactions could take a longer time than commonly used "one hour" or "overnight", and in some cases longer than 48h, to reach its maximum binding. We also show that the modified protocol of stacked film exposure works well for both standard curves and biological samples, reaching a maximum sensitivity in western blots without blurring target signals or increasing backgrounds. In addition to regular optimization of antibody concentrations and film exposure time, a prolonged incubation with antibodies and stacked film exposure will also help improve sensitivity and reduce background in western blotting. Copyright © 2011 Elsevier Inc. All rights reserved.

  9. Description of gasket failure in a 7 cell PEMFC stack

    Energy Technology Data Exchange (ETDEWEB)

    Husar, Attila; Serra, Maria [Institut de Robotica i Informatica Industrial, Parc Tecnologic de Barcelona, Edifici U, C. Llorens i Artigas, 4-6, 2a Planta, 08028 Barcelona (Spain); Kunusch, Cristian [Laboratorio de Electronica Industrial Control e Instrumentacion, Facultad de Ingenieria, UNLP (Argentina)

    2007-06-10

    This article presents the data and the description of a fuel cell stack that failed due to gasket degradation. The fuel cell under study is a 7 cell stack. The unexpected change in several variables such as temperature, pressure and voltage indicated the possible failure of the stack. The stack was monitored over a 6 h period in which data was collected and consequently analyzed to conclude that the fuel cell stack failed due to a crossover leak on the anode inlet port located on the cathode side gasket of cell 2. This stack failure analysis revealed a series of indicators that could be used by a super visional controller in order to initiate a shutdown procedure. (author)

  10. Quadratic forms and Clifford algebras on derived stacks

    OpenAIRE

    Vezzosi, Gabriele

    2013-01-01

    In this paper we present an approach to quadratic structures in derived algebraic geometry. We define derived n-shifted quadratic complexes, over derived affine stacks and over general derived stacks, and give several examples of those. We define the associated notion of derived Clifford algebra, in all these contexts, and compare it with its classical version, when they both apply. Finally, we prove three main existence results for derived shifted quadratic forms over derived stacks, define ...

  11. Use of impedance tagging to monitor fuel cell stack performance

    Science.gov (United States)

    Silva, Gregory

    Fuel cells are electrochemical device that are traditionally assembled in stacks to perform meaningful work. Monitoring the state of the stack is vitally important to ensure that it is operating efficiently and that constituent cells are not failing for one of a several common reasons including membrane dehydration, gas diffusion layer flooding, reactant starvation, and physical damage. Current state-of-the-art monitoring systems are costly and require at least one connection per cell on the stack, which introduces reliability concerns for stacks consisting of hundreds of cells. This thesis presents a novel approach for diagnosing problems in a fuel cell stack that attempts to reduce the cost and complexity of monitoring cells in a stack. The proposed solution modifies the electrochemical impedance spectroscopy (EIS) response of each cell in the stack by connecting an electrical tag in parallel with each cell. This approach allows the EIS response of the entire stack to identify and locate problems in the stack. Capacitors were chosen as tags because they do not interfere with normal stack operation and because they can generate distinct stack EIS responses. An experiment was performed in the Center for Automation Technologies an Systems (CATS) fuel cell laboratory at Rensselaer Polytechnic Institute (RPI) to perform EIS measurements on a single cell with and without capacitor tags to investigate the proposed solution. The EIS data collected from this experiment was used to create a fuel cell model to investigate the proposed solution under ideal conditions. This thesis found that, although the concept shows some promise in simulations, significant obstacles to implementing the proposed solution. Observed EIS response when the capacitor tags were connected did not match the expected EIS response. Constraints on the capacitor tags found by the model impose significant manufacturing challenges to the proposed solution. Further development of the proposed solution is

  12. Stacked Heterogeneous Neural Networks for Time Series Forecasting

    Directory of Open Access Journals (Sweden)

    Florin Leon

    2010-01-01

    Full Text Available A hybrid model for time series forecasting is proposed. It is a stacked neural network, containing one normal multilayer perceptron with bipolar sigmoid activation functions, and the other with an exponential activation function in the output layer. As shown by the case studies, the proposed stacked hybrid neural model performs well on a variety of benchmark time series. The combination of weights of the two stack components that leads to optimal performance is also studied.

  13. A novel configuration for direct internal reforming stacks

    Science.gov (United States)

    Fellows, Richard

    This paper presents a stack concept that can be applied to both molten carbonate fuel cell (MCFC) and solid oxide fuel cell (SOFC) internal reforming stacks. It employs anode recycle and allows the design of very simple system configurations, while giving enhanced efficiencies and high specific power densities. The recycle of anode exit gas to the anode inlet has previously been proposed as a means of preventing carbon deposition in direct internal reforming (DIR) stacks. When applied to a normal stack this reduces the Nernst voltages because the recycle stream is relatively depleted in hydrogen. In the concept proposed here, known as the `Smarter' stack, there are two anode exit streams, one of which is depleted, while the other is relatively undepleted. The depleted stream passes directly to the burner, and the undepleted stream is recycled to the stack inlet. By this means high Nernst voltages are achieved in the stack. The concept has been simulated and assessed for parallel-flow and cross-flow MCFC and SOFC stacks and graphs are presented showing temperature distributions. The `Smarter' stacks employ a high recycle rate resulting in a reduced natural gas concentration at the stack inlet, and this reduces or eliminates the unfavourable temperature dip. Catalyst grading can further improve the temperature distribution. The concept allows simple system configurations in which the need for fuel pre-heat is eliminated. Efficiencies are up to 10 percentage points higher than for conventional stacks with the same cell area and maximum stack temperature. The concept presented here was devised in a project part-funded by the EU, and has been adopted by the European Advanced DIR-MCFC development programme led by BCN.

  14. Status of Slip Stacking at Fermilab Main Injector

    CERN Document Server

    Seiya, Kiyomi; Chase, Brian; Dey, Joseph; Kourbanis, Ioanis; MacLachlan, James A; Meisner, Keith G; Pasquinelli, Ralph J; Reid, John; Rivetta, Claudio H; Steimel, Jim

    2005-01-01

    In order to increase proton intensity on anti proton production cycle of the Main Injector we are going to use the technique of 'slip stacking' and doing machine studies. In slip stacking, one bunch train is injected at slightly lower energy and second train is at slightly higher energy. Afterwards they are aligned longitudinally and captured with one rf bucket. This longitudinal stacking process is expected to double the bunch intensity. The required intensity for anti proton production is 8·1012

  15. A novel design for solid oxide fuel cell stacks

    Energy Technology Data Exchange (ETDEWEB)

    Al-Qattan, A.M.; Chmielewski, D.J.; Al-Hallaj, S.; Selman, J.R. [Illinois Inst. of Technology, Chicago, IL (United States). Dept. of Chemical and Environmental Engineering

    2004-01-01

    Conventional fuel cell stack designs suffer from severe spatial nonuniformity in both temperature and current density. Such variations are known to create damaging thermal stresses within the stack and thus, impact overall lifespan. In this work, we propose a novel stack design aimed at reducing spatial variations at the source. We propose a mechanism of distributed fuel feed in which the heat generation profile can be influenced directly. Simulation results are presented to illustrate the potential of the proposed scheme. (author)

  16. Development of the electric utility dispersed use PAFC stack

    Energy Technology Data Exchange (ETDEWEB)

    Horiuchi, Hiroshi; Kotani, Ikuo [Mitsubishi Electric Co., Kobe (Japan); Morotomi, Isamu [Kansai Electric Power Co., Hyogo (Japan)] [and others

    1996-12-31

    Kansai Electric Power Co. and Mitsubishi Electric Co. have been developing the electric utility dispersed use PAFC stack operated under the ambient pressure. The new cell design have been developed, so that the large scale cell (1 m{sup 2} size) was adopted for the stack. To confirm the performance and the stability of the 1 m{sup 2} scale cell design, the short stack study had been performed.

  17. Method for monitoring stack gases for uranium activity

    International Nuclear Information System (INIS)

    Beverly, C.R.; Ernstberger, H.G.

    1988-01-01

    A method for sampling stack gases emanating from the purge cascade of a gaseous diffusion cascade system utilized to enrich uranium for determining the presence and extent of uranium in the stack gases in the form of gaseous uranium hexafluoride, is described comprising the steps of removing a side stream of gases from the stack gases, contacting the side stream of the stack gases with a stream of air sufficiently saturated with moisture for reacting with and converting any gaseous uranium hexafluroide contracted thereby in the side stream of stack gases to particulate uranyl fluoride. Thereafter contacting the side stream of stack gases containing the particulate uranyl fluoride with moving filter means for continuously intercepting and conveying the intercepted particulate uranyl fluoride away from the side stream of stack gases, and continually scanning the moving filter means with radiation monitoring means for sensing the presence and extent of particulate uranyl fluoride on the moving filter means which is indicative of the extent of particulate uranyl fluoride in the side stream of stack gases which in turn is indicative of the presence and extent of uranium hexafluoride in the stack gases

  18. Design and development of an automated uranium pellet stacking system

    International Nuclear Information System (INIS)

    Reiss, B.S.; Nokleby, S.B.

    2010-01-01

    A novel design for an automated uranium pellet stacking system is presented. This system is designed as a drop-in solution to the current production line to enhance the fuel pellet stacking process. The three main goals of this system are to reduce worker exposure to radiation to as low as reasonable achievable (ALARA), improve product quality, and increase productivity. The proposed system will reduce the potential for human error. This single automated system will replace the two existing pellet stacking stations while increasing the total output, eliminating pellet stacking as a bottleneck in the fuel bundle assembly process. (author)

  19. Highly Efficient, Durable Regenerative Solid Oxide Stack, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — Precision Combustion, Inc. (PCI) proposes to develop a highly efficient regenerative solid oxide stack design. Novel structural elements allow direct internal...

  20. Fluorescence studies by quenching and protein unfolding on the interaction of bioactive compounds in water extracts of kiwi fruit cultivars with human serum albumin

    International Nuclear Information System (INIS)

    Seo Park, Yong; Polovka, Martin; Leticia Martinez-Ayala, Alma; González-Aguilar, Gustavo A.; Ham, Kyung-Sik; Kang, Seong-Gook; Park, Yang-Kyun; Heo, Buk-Gu; Namiesnik, Jacek; Gorinstein, Shela

    2015-01-01

    The main aim of this investigation was to characterize new kiwi fruit cultivars after cold storage treatment and to determine the similarities and differences between them, using spectroscopic methods. The chemometric comparison of kiwi fruit cultivars based on physicochemical indices during cold storage was carried out. All kiwi fruit cultivars showed a high level of correlation between the contents of phenolic compounds (polyphenols, tannins and flavonoids) and their antioxidant capacities. The interactions of soluble polyphenols of different kiwi fruit cultivars with human serum albumin (HSA) were investigated by fluorescence. The obtained statistical and fluorescence results allow to classify the investigated kiwi fruit cultivars according to their properties. The antioxidant properties of different cultivars monitored by β-carotene assay showed that the highest percentage of antioxidant activity (%AA) at the end of the cold storage was detected for ‘SKK-12’ (27.61±2.44) %AA with the lowest shelf life (8 weeks) and the lowest was found for ‘Hayward’ variety (8.33±0.74) %AA with the highest shelf life (24 weeks). The averaged amount of polyphenols in ‘Bidan’ and ‘SKK-12’ 13.97±1.95 mg GAE/g was much higher than in other cultivars 3.93±3.26 mg GAE/g, without respect on time of cold storage. The HSA-binding capacities of these cultivars were the highest and correlated with their antioxidant capacities. To our knowledge this is the first report showing differences and similarities in new kiwi fruit cultivars, using spectroscopic techniques. The fact that fluorescence spectral methods are applied as a powerful tool to show the photophysical properties of intrinsic fluorophores in protein molecules in the presence of fruit extracts is important in this study. In conclusion, the obtained knowledge would contribute to the pharmaceutical development and clinical application of kiwi fruit extracts. - Highlights: • Different kiwi fruit cultivars

  1. Fluorescence studies by quenching and protein unfolding on the interaction of bioactive compounds in water extracts of kiwi fruit cultivars with human serum albumin

    Energy Technology Data Exchange (ETDEWEB)

    Seo Park, Yong, E-mail: ypark@mokpo.ac.kr [Department of Horticultural Science, Mokpo National University, Muan, Jeonnam (Korea, Republic of); Polovka, Martin [National Agricultural and Food Centre VUP, Food Research Institute, SK-824 75 Bratislava (Slovakia); Leticia Martinez-Ayala, Alma [Centro de Desarrollo de Productos Bioticos, Instituto Politécnico Nacional, Carretera Yautepec-Jojutla, Km. 6, calle CEPROBI No. 8, Col. San Isidro, Yautepec, Morelos 62731 (Mexico); González-Aguilar, Gustavo A. [Research Center for Food & Development, A.C. (CIAD), Carretera a Ejido La Victoria, Km 0.6, Hermosillo, Sonora 83304 (Mexico); Ham, Kyung-Sik; Kang, Seong-Gook; Park, Yang-Kyun [Department of Food Engineering, Mokpo National University, Muan, Jeonnam (Korea, Republic of); Heo, Buk-Gu [Naju Foundation of Natural Dyeing Culture, Naju 520-931 (Korea, Republic of); Namiesnik, Jacek [Department of Analytical Chemistry, Chemical Faculty, Gdańsk University of Technology, 80 952 Gdańsk (Poland); Gorinstein, Shela, E-mail: shela.gorin@mail.huji.ac.il [The Institute for Drug Research, School of Pharmacy, The Hebrew University, Hadassah Medical School, Jerusalem 91120 (Israel)

    2015-04-15

    The main aim of this investigation was to characterize new kiwi fruit cultivars after cold storage treatment and to determine the similarities and differences between them, using spectroscopic methods. The chemometric comparison of kiwi fruit cultivars based on physicochemical indices during cold storage was carried out. All kiwi fruit cultivars showed a high level of correlation between the contents of phenolic compounds (polyphenols, tannins and flavonoids) and their antioxidant capacities. The interactions of soluble polyphenols of different kiwi fruit cultivars with human serum albumin (HSA) were investigated by fluorescence. The obtained statistical and fluorescence results allow to classify the investigated kiwi fruit cultivars according to their properties. The antioxidant properties of different cultivars monitored by β-carotene assay showed that the highest percentage of antioxidant activity (%AA) at the end of the cold storage was detected for ‘SKK-12’ (27.61±2.44) %AA with the lowest shelf life (8 weeks) and the lowest was found for ‘Hayward’ variety (8.33±0.74) %AA with the highest shelf life (24 weeks). The averaged amount of polyphenols in ‘Bidan’ and ‘SKK-12’ 13.97±1.95 mg GAE/g was much higher than in other cultivars 3.93±3.26 mg GAE/g, without respect on time of cold storage. The HSA-binding capacities of these cultivars were the highest and correlated with their antioxidant capacities. To our knowledge this is the first report showing differences and similarities in new kiwi fruit cultivars, using spectroscopic techniques. The fact that fluorescence spectral methods are applied as a powerful tool to show the photophysical properties of intrinsic fluorophores in protein molecules in the presence of fruit extracts is important in this study. In conclusion, the obtained knowledge would contribute to the pharmaceutical development and clinical application of kiwi fruit extracts. - Highlights: • Different kiwi fruit cultivars

  2. Fe2(AsO4)F: A new three-dimensional condensed fluoro-arsenate iron(II) compound with antiferromagnetic interactions

    International Nuclear Information System (INIS)

    Berrocal, Teresa; Mesa, Jose L.; Pizarro, Jose L.; Urtiaga, Miren K.; Arriortua, Maria I.; Rojo, Teofilo

    2006-01-01

    Fe 2 (AsO 4 )F has been synthesized under mild hydrothermal conditions in the form of single crystals. The compound crystallizes in C2/c monoclinic space group with the unit cell parameters a=13.214(1), b=6.623(1), c=10.045(1)A and β=116.90(2) deg. with Z=8. The crystal structure consists of a three-dimensional framework constructed by two kinds of chains, A and B, with 50% of population. In the chains, the environments for the iron(II) cations show penta- and hexa-coordination. The chains establish an angle of approximately 120 deg. between them. The disordered fluoride anions in these chains given rise to [Fe(1)O 4 F(1) 0.5 (F(2) 0.5 ) 2 ] and [Fe(2)O 4 (F(1) 0.5 ) 2 F(2) 0.5 ] edge-shared polyhedra in which the fluoride anions have occupancy factors of 50% over two distinct crystallographic sites. The IR spectrum shows the characteristic bands of the (AsO 4 ) 3- groups. From the diffuse reflectance spectrum a D q parameter of 650cm -1 has been calculated for the Fe(II) d 6 high spin cation. The Mossbauer spectrum in the paramagnetic state shows a doublet that has been fitted, according to the existence of two crystallographically independent iron environments, with two Lorentzian doublets. Magnetic measurements performed between room temperature and 5K exhibit a maximum at 22.6K, characteristic of antiferromagnetic interactions with a estimated 'J'-exchange parameter of -1.2K

  3. Molecular modeling of inorganic compounds

    National Research Council Canada - National Science Library

    Comba, Peter; Hambley, Trevor W; Martin, Bodo

    2009-01-01

    ... mechanics to inorganic and coordination compounds. Initially, simple metal complexes were modeled, but recently the field has been extended to include organometallic compounds, catalysis and the interaction of metal ions with biological macromolecules. The application of molecular mechanics to coordination compounds is complicated by the numbe...

  4. Fishing and knockout of bioactive compounds using a combination of high-speed counter-current chromatography (HSCCC) and preparative HPLC for evaluating the holistic efficacy and interaction of the components of Herba Epimedii.

    Science.gov (United States)

    Jin, Jing; Li, Yubo; Kipletting Tanui, Emmanuel; Han, Liwen; Jia, Yuan; Zhang, Lu; Wang, Yuming; Zhang, Xiuxiu; Zhang, Yanjun

    2013-05-20

    Due to the complex chemical compositions and pharmacological effects of traditional Chinese medicines, we developed a strategy based on fishing and knockout of bioactive compounds using a combination of high-speed counter-current chromatography (HSCCC) and preparative HPLC for evaluating the holistic activity and interaction of the components of Herba Epimedii. First, osteoblast target cell extraction was used for preliminary screening of the potential bioactive compounds of Herba Epimedii. Second, the bioactive compounds identified (epimedin A, epimedin B, epimedin C and icariin) were fished and knocked out using high-speed counter-current chromatography and preparative HPLC. Third, the bioactivity of resulting fractions was assessed by determining their influence on cell proliferation and differentiation, thereby allowing for an evaluation of their interaction.The pharmacodynamic contribution ratio of each bioactive compound to the efficacy of the herbal medicine could then be comprehensively and intuitively determined based on the spectra-activity correlations (VIP values) of the tested compositions using partial least-squares regression (PLS-R), through which the reliability of the screening and isolation of bioactive compounds by the target cell extraction technique were verified. The proposed strategy is a useful approach with potential application in other traditional Chinese medicines. Crown Copyright © 2013. Published by Elsevier Ireland Ltd. All rights reserved.

  5. Linear identification and model adjustment of a PEM fuel cell stack

    Energy Technology Data Exchange (ETDEWEB)

    Kunusch, C.; Puleston, P.F.; More, J.J. [LEICI, Departamento de Electrotecnia, Universidad Nacional de La Plata, calle 1 esq. 47 s/n, 1900 La Plata (Argentina); Consejo de Investigaciones Cientificas y Tecnicas (CONICET) (Argentina); Husar, A. [Institut de Robotica i Informatica Industrial (CSIC-UPC), c/ Llorens i Artigas 4-6, 08028 Barcelona (Spain); Mayosky, M.A. [LEICI, Departamento de Electrotecnia, Universidad Nacional de La Plata, calle 1 esq. 47 s/n, 1900 La Plata (Argentina); Comision de Investigaciones Cientificas (CIC), Provincia de Buenos Aires (Argentina)

    2008-07-15

    In the context of fuel cell stack control a mayor challenge is modeling the interdependence of various complex subsystem dynamics. In many cases, the states interaction is usually modeled through several look-up tables, decision blocks and piecewise continuous functions. Many internal variables are inaccessible for measurement and cannot be used in control algorithms. To make significant contributions in this area, it is necessary to develop reliable models for control and design purposes. In this paper, a linear model based on experimental identification of a 7-cell stack was developed. The procedure followed to obtain a linear model of the system consisted in performing spectroscopy tests of four different single-input single-output subsystems. The considered inputs for the tests were the stack current and the cathode oxygen flow rate, while the measured outputs were the stack voltage and the cathode total pressure. The resulting model can be used either for model-based control design or for on-line analysis and errors detection. (author)

  6. Manifold seal structure for fuel cell stack

    Science.gov (United States)

    Collins, William P.

    1988-01-01

    The seal between the sides of a fuel cell stack and the gas manifolds is improved by adding a mechanical interlock between the adhesive sealing strip and the abutting surface of the manifolds. The adhesive is a material which can flow to some extent when under compression, and the mechanical interlock is formed providing small openings in the portion of the manifold which abuts the adhesive strip. When the manifolds are pressed against the adhesive strips, the latter will flow into and through the manifold openings to form buttons or ribs which mechanically interlock with the manifolds. These buttons or ribs increase the bond between the manifolds and adhesive, which previously relied solely on the adhesive nature of the adhesive.

  7. Directive Stacked Patch Antenna for UWB Applications

    Directory of Open Access Journals (Sweden)

    Sharif I. Mitu Sheikh

    2013-01-01

    Full Text Available Directional ultrawideband (UWB antennas are popular in wireless signal-tracking and body-area networks. This paper presents a stacked microstrip antenna with an ultrawide impedance bandwidth of 114%, implemented by introducing defects on the radiating patches and the ground plane. The compact (20×34 mm antenna exhibits a directive radiation patterns for all frequencies of the 3–10.6 GHz band. The optimized reflection response and the radiation pattern are experimentally verified. The designed UWB antenna is used to maximize the received power of a software-defined radio (SDR platform. For an ultrawideband impulse radio system, this class of antennas is essential to improve the performance of the communication channels.

  8. ATLAS software stack on ARM64

    Science.gov (United States)

    Smith, Joshua Wyatt; Stewart, Graeme A.; Seuster, Rolf; Quadt, Arnulf; ATLAS Collaboration

    2017-10-01

    This paper reports on the port of the ATLAS software stack onto new prototype ARM64 servers. This included building the “external” packages that the ATLAS software relies on. Patches were needed to introduce this new architecture into the build as well as patches that correct for platform specific code that caused failures on non-x86 architectures. These patches were applied such that porting to further platforms will need no or only very little adjustments. A few additional modifications were needed to account for the different operating system, Ubuntu instead of Scientific Linux 6 / CentOS7. Selected results from the validation of the physics outputs on these ARM 64-bit servers will be shown. CPU, memory and IO intensive benchmarks using ATLAS specific environment and infrastructure have been performed, with a particular emphasis on the performance vs. energy consumption.

  9. ATLAS software stack on ARM64

    CERN Document Server

    AUTHOR|(INSPIRE)INSPIRE-00529764; The ATLAS collaboration; Stewart, Graeme; Seuster, Rolf; Quadt, Arnulf

    2017-01-01

    This paper reports on the port of the ATLAS software stack onto new prototype ARM64 servers. This included building the “external” packages that the ATLAS software relies on. Patches were needed to introduce this new architecture into the build as well as patches that correct for platform specific code that caused failures on non-x86 architectures. These patches were applied such that porting to further platforms will need no or only very little adjustments. A few additional modifications were needed to account for the different operating system, Ubuntu instead of Scientific Linux 6 / CentOS7. Selected results from the validation of the physics outputs on these ARM 64-bit servers will be shown. CPU, memory and IO intensive benchmarks using ATLAS specific environment and infrastructure have been performed, with a particular emphasis on the performance vs. energy consumption.

  10. Stacked generalization: an introduction to super learning.

    Science.gov (United States)

    Naimi, Ashley I; Balzer, Laura B

    2018-04-10

    Stacked generalization is an ensemble method that allows researchers to combine several different prediction algorithms into one. Since its introduction in the early 1990s, the method has evolved several times into a host of methods among which is the "Super Learner". Super Learner uses V-fold cross-validation to build the optimal weighted combination of predictions from a library of candidate algorithms. Optimality is defined by a user-specified objective function, such as minimizing mean squared error or maximizing the area under the receiver operating characteristic curve. Although relatively simple in nature, use of Super Learner by epidemiologists has been hampered by limitations in understanding conceptual and technical details. We work step-by-step through two examples to illustrate concepts and address common concerns.

  11. Actuators Using Piezoelectric Stacks and Displacement Enhancers

    Science.gov (United States)

    Bar-Cohen, Yoseph; Sherrit, Stewart; Bao, Xiaoqi; Badescu, Mircea; Lee, Hyeong Jae; Walkenmeyer, Phillip; Lih, Shyh-Shiuh

    2015-01-01

    Actuators are used to drive all active mechanisms including machines, robots, and manipulators to name a few. The actuators are responsible for moving, manipulating, displacing, pushing and executing any action that is needed by the mechanism. There are many types and principles of actuation that are responsible for these movements ranging from electromagnetic, electroactive, thermo-mechanic, piezoelectric, electrostrictive etc. Actuators are readily available from commercial producers but there is a great need for reducing their size, increasing their efficiency and reducing their weight. Studies at JPL’s Non Destructive Evaluation and Advanced Actuators (NDEAA) Laboratory have been focused on the use of piezoelectric stacks and novel designs taking advantage of piezoelectric’s potential to provide high torque/force density actuation and high electromechanical conversion efficiency. The actuators/motors that have been developed and reviewed in this paper are operated by various horn configurations as well as the use of pre-stress flexures that make them thermally stable and increases their coupling efficiency. The use of monolithic designs that pre-stress the piezoelectric stack eliminates the use of compression stress bolt. These designs enable the embedding of developed solid-state motors/actuators in any structure with the only macroscopically moving parts are the rotor or the linear translator. Finite element modeling and design tools were used to determine the requirements and operation parameters and the results were used to simulate, design and fabricate novel actuators/motors. The developed actuators and performance will be described and discussed in this paper.

  12. Analysis of NSTX Upgrade OH Magnet and Center Stack

    Energy Technology Data Exchange (ETDEWEB)

    A. Zolfaghari, P. Titus, J. Chrzanowski, A. Salehzadeh, F. Dahlgren

    2010-11-30

    The new ohmic heating (OH) coil and center stack for the National Spherical Torus Experiment (NSTX) upgrade are required to meet cooling and structural requirements for operation at the enhanced 1 Tesla toroidal field and 2 MA plasma current. The OH coil is designed to be cooled in the time between discharges by water flowing in the center of the coil conductor. We performed resistive heating and thermal hydraulic analyses to optimize coolant channel size to keep the coil temperature below 100 C and meet the required 20 minute cooling time. Coupled electromagnetic, thermal and structural FEA analyses were performed to determine if the OH coil meets the requirements of the structural design criteria. Structural response of the OH coil to its self-field and the field from other coils was analyzed. A model was developed to analyze the thermal and electromagnetic interaction of centerstack components such as the OH coil, TF inner legs and the Bellville washer preload mechanism. Torsional loads from the TF interaction with the OH and poloidal fields are transferred through the TF flag extensions via a torque transfer coupling to the rest of the tokamak structure. A 3D FEA analysis was performed to qualify this design. The results of these analyses, which will be presented in this paper, have led to the design of OH coil and centerstack components that meet the requirements of the NSTX-upgrade structural design criteria.

  13. Simultaneous stack-gas scrubbing and waste water treatment

    Science.gov (United States)

    Poradek, J. C.; Collins, D. D.

    1980-01-01

    Simultaneous treatment of wastewater and S02-laden stack gas make both treatments more efficient and economical. According to results of preliminary tests, solution generated by stack gas scrubbing cycle reduces bacterial content of wastewater. Both processess benefit by sharing concentrations of iron.

  14. A Software Managed Stack Cache for Real-Time Systems

    DEFF Research Database (Denmark)

    Jordan, Alexander; Abbaspourseyedi, Sahar; Schoeberl, Martin

    2016-01-01

    In a real-time system, the use of a scratchpad memory can mitigate the difficulties related to analyzing data caches, whose behavior is inherently hard to predict. We propose to use a scratchpad memory for stack allocated data. While statically allocating stack frames for individual functions to ...

  15. Calculation of AC losses in large HTS stacks and coils

    DEFF Research Database (Denmark)

    Zermeno, Victor; Abrahamsen, Asger Bech; Mijatovic, Nenad

    2012-01-01

    In this work, we present a homogenization method to model a stack of HTS tapes under AC applied transport current or magnetic field. The idea is to find an anisotropic bulk equivalent for the stack of tapes, where the internal alternating structures of insulating, metallic, superconducting and su...

  16. Efficient Context Switching for the Stack Cache: Implementation and Analysis

    DEFF Research Database (Denmark)

    Abbaspourseyedi, Sahar; Brandner, Florian; Naji, Amine

    2015-01-01

    , the analysis of the stack cache was limited to individual tasks, ignoring aspects related to multitasking. A major drawback of the original stack cache design is that, due to its simplicity, it cannot hold the data of multiple tasks at the same time. Consequently, the entire cache content needs to be saved...

  17. The behaviour of stacking fault energy upon interstitial alloying.

    Science.gov (United States)

    Lee, Jee-Yong; Koo, Yang Mo; Lu, Song; Vitos, Levente; Kwon, Se Kyun

    2017-09-11

    Stacking fault energy is one of key parameters for understanding the mechanical properties of face-centered cubic materials. It is well known that the plastic deformation mechanism is closely related to the size of stacking fault energy. Although alloying is a conventional method to modify the physical parameter, the underlying microscopic mechanisms are not yet clearly established. Here, we propose a simple model for determining the effect of interstitial alloying on the stacking fault energy. We derive a volumetric behaviour of stacking fault energy from the harmonic approximation to the energy-lattice curve and relate it to the contents of interstitials. The stacking fault energy is found to change linearly with the interstitial content in the usual low concentration domain. This is in good agreement with previously reported experimental and theoretical data.

  18. Dynamic Model of High Temperature PEM Fuel Cell Stack Temperature

    DEFF Research Database (Denmark)

    Andreasen, Søren Juhl; Kær, Søren Knudsen

    2007-01-01

    The present work involves the development of a model for predicting the dynamic temperature of a high temperature PEM (HTPEM) fuel cell stack. The model is developed to test different thermal control strategies before implementing them in the actual system. The test system consists of a prototype...... parts, where also the temperatures are measured. The heat balance of the system involves a fuel cell model to describe the heat added by the fuel cells when a current is drawn. Furthermore the model also predicts the temperatures, when heating the stack with external heating elements for start-up, heat...... the stack at a high stoichiometric air flow. This is possible because of the PBI fuel cell membranes used, and the very low pressure drop in the stack. The model consists of a discrete thermal model dividing the stack into three parts: inlet, middle and end and predicting the temperatures in these three...

  19. Direct methanol fuel cell stack based on MEMS technology

    Science.gov (United States)

    Zhang, Yufeng; Tang, Xiaochuan; Yuan, Zhenyu; Liu, Xiaowei

    2008-10-01

    This paper presents a design configuration of silicon-based micro direct methanol fuel cell (DMFC) stack in a planar array. The integrated series connection is oriented in a "flip-flop" configuration with electrical interconnections made by thin-film metal layers that coat the flow channels etched in the silicon substrate. The configuration features small connection space and low contact resistance. The MEMS fabrication process was utilized to fabricate the silicon plates of DMFC stack. This DMFC stack with an active area of 64mm x 11mm was characterized at room temperature and normal atmosphere. Experimental results show that the prototype stack is able to generate an open-circuit voltage of 2.7V and a maximum power density of 2.2mW/cm2, which demonstrate the feasibility of this new DMFC stack configuration.

  20. Deformation Induced Microtwins and Stacking Faults in Aluminum Single Crystal

    Science.gov (United States)

    Han, W. Z.; Cheng, G. M.; Li, S. X.; Wu, S. D.; Zhang, Z. F.

    2008-09-01

    Microtwins and stacking faults in plastically deformed aluminum single crystal were successfully observed by high-resolution transmission electron microscope. The occurrence of these microtwins and stacking faults is directly related to the specially designed crystallographic orientation, because they were not observed in pure aluminum single crystal or polycrystal before. Based on the new finding above, we propose a universal dislocation-based model to judge the preference or not for the nucleation of deformation twins and stacking faults in various face-centered-cubic metals in terms of the critical stress for dislocation glide or twinning by considering the intrinsic factors, such as stacking fault energy, crystallographic orientation, and grain size. The new finding of deformation induced microtwins and stacking faults in aluminum single crystal and the proposed model should be of interest to a broad community.

  1. Physical Sciences Laboratory 1 Rooftop Stack Mixing Study

    Energy Technology Data Exchange (ETDEWEB)

    Flaherty, Julia E. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Antonio, Ernest J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2016-09-30

    To address concerns about worker exposures on the Physical Science Laboratory (PSL) rooftop, a tracer study was conducted to measure gaseous tracer concentrations downwind of six stacks on the southern half of the PSL building (PSL-1). These concerns were raised, in part, due to the non-standard configuration of the stacks on this building. Five of the six stacks were only about 8 feet tall, with one shorter stack that was essentially level with the roof deck. These stacks were reconfigured in August 2016, and these exhaust points on PSL-1 are now 18 feet tall. This report describes the objectives of the tracer tests performed on PSL-1, provides an overview of how the tests were executed, and presents results of the tests. The tests on the PSL rooftop were a follow-on project from a similar study performed on the LSL-II ventilation exhaust (Flaherty and Antonio, 2016).

  2. Alternative Donor--Acceptor Stacks from Crown Ethers and Naphthalene Diimide Derivatives: Rapid, Selective Formation from Solution and Solid State Grinding

    Energy Technology Data Exchange (ETDEWEB)

    Advanced Light Source; Liu, Yi; Klivansky, Liana; Cao, Dennis; Snauko, Marian; Teat, Simon J.; Struppe, Jochem O.; Koshkakaryan, Gayane

    2009-01-22

    Self assembling {pi}-conjugated molecules into ordered structures are of increasing interest in the field of organic electronics. One particular example is charge transfer complexes containing columnar alternative donor-acceptor (ADA) stacks, where neutral and ionic ground states can be readily tuned to modulate electrical, optical, and ferroelectrical properties. Aromatic-aromatic and charge transfer interactions have been the leading driving forces in assisting the self-assembly of ADA stacks. Various folding structures containing ADA stacks were assembled in solution with the aid of solvophobic or ion-binding interactions. Meanwhile, examples of solid ADA stacks, which are more appealing for practical use in devices, were obtained from cocrystalization of binary components or mesophase assembly of liquid crystals in bulk blends. Regardless of these examples, faster and more controllable approaches towards precise supramolecular order in the solid state are still highly desirable.

  3. Enhanced H-bonding and pi-stacking in DNA: a potent duplex-stabilizing and mismatch sensing nucleobase analogue

    DEFF Research Database (Denmark)

    Lou, Chenguang; Dallmann, Andre; Marafini, Pietro

    2014-01-01

    X-pyrene is a new nucleic acid duplex stabilizing cytosine analogue that combines enhanced pi-stacking, hydrogen bonding and electrostatic interactions to greatly increase the stability of bulged DNA duplexes and DNA/RNA hybrids. X-pyrene is highly selective for guanine as a partner and duplex...

  4. Reflector imaging by diffraction stacking with stacking velocity analysis; Jugo sokudo kaiseki wo tomonau sanran jugoho ni yoru hanshamen imaging

    Energy Technology Data Exchange (ETDEWEB)

    Matsushima, J.; Rokugawa, S.; Kato, Y. [The University of Tokyo, Tokyo (Japan). Faculty of Engineering; Yokota, T. [Japan National Oil Corp., Tokyo (Japan); Miyazaki, T. [Geological Survey of Japan, Tsukuba (Japan)

    1997-10-22

    Concerning seismic reflection survey for geometrical arrangement between pits, the scattering stacking method with stacking velocity analysis is compared with the CDP (common depth point horizontal stacking method). The advantages of the CDP supposedly include the following. Since it presumes an average velocity field, it can determine velocities having stacking effects. The method presumes stratification and, since such enables the division of huge quantities of observed data into smaller groups, more data can be calculated in a shorter time period. The method has disadvantages, attributable to its presuming an average velocity field, that accuracy in processing is lower when the velocity field contrast is higher, that accuracy in processing is low unless stratification is employed, and that velocities obtained from stacking velocity analysis are affected by dipped structures. Such shortcomings may be remedied in the scattering stacking method with stacking velocity analysis. Possibilities are that, as far as the horizontal reflection plane is concerned, it may yield stack records higher in S/N ratio than the CDP. Findings relative to dipped reflection planes will be introduced at the presentation. 6 refs., 12 figs.

  5. On-line stacking techniques for the nonaqueous capillary electrophoretic determination of acrylamide in processed food

    International Nuclear Information System (INIS)

    Tezcan, Filiz; Erim, F. Bedia

    2008-01-01

    In the present study, field amplified sample stacking (FASS) techniques in the nonaqueous capillary electrophoresis method (NACE) were introduced for the on-line concentration of the acrylamide to improve acrylamide detection at 210 nm by diode-array detection. Acetonitrile (ACN) as a nonaqueous solvent permits acrylamide to be protonated through the change of its acid-base chemistry, allowing capillary electrophoretic separation of this compound. Choosing 30 mmol L -1 HClO 4 , 20 mmol L -1 NaClO 4 , 218 mmol L -1 CH 3 COOH in ACN as the separation electrolyte and employing sample stacking methods, the LOD value of acrylamide was decreased to 2.6 ng mL -1 with electrokinetic injection and 4.4 ng mL -1 with hydrodynamic injection. Optimized stacking conditions were applied to the determination of acrylamide in several foodstuffs. The method is simple, rapid, inexpensive, and widely applicable for the determination of acrylamide in food samples

  6. Original Inventions based on Chemical scaffolds and electro-physical activity-derived biosimilars interacting with specialties in biology yielding platforms for analysis in virology and antiviral compounds

    Directory of Open Access Journals (Sweden)

    Yamaji N

    2014-11-01

    effective anti viral agents. A biosimilar-based compound having been proven against Chickungunya virus, the same could be tried against life threatening viruses in appropriate and safe environments. Clinister being a food additive-based material, is considered to be safe to human beings [4] and hence its inclusion as an additive to cell culture medium could be studied further in order to check whether the use of common antibiotics and anti-fungals which may be detrimental to cell growth can be avoided yielding safer anti-bacterial and anti-viral agents for cell culture. Conclusion: Multidisciplinary interaction within and across various domains of science has several potentials in bringing out novel solutions and this has been proven by this study of interaction among physicists, chemists and biologists. The authors recommend that establishment of barrier-free interaction platforms within and among institutes and various specialties at varied stages of research activities as portrayed here like the IIDIAS session to bring about novel solutions such as the ones described in this article. References Sumathipala A, Siribaddana S, Patel V. Under-representation of developing countries in the research literature: ethical issues arising from a survey of five leading medical journals. BMC Med Ethics. 2004;5: E5. The World Bank (2008. Global Economic Prospects 2008: Technology Diffusion in the Developing World. Washington, DC: The World Bank. Retrieved February 18, 2008 from http://siteresources.worldbank.org/INTGEP2008/Resources/complete-report.pdf Abraham S. The "Electric Biology" Duo. Trade Secrets- Nature Biotechnology Blog 2011. Full text can be accessed at http://blogs.nature.com/tradesecrets/2011/12/06/the-electric-biology-duo. Kubota S, Matsuzawa K, Wada M, Yamaji N. Bactericidal Effect of a Disinfectant (Bio Io Nurse Prepared by Adding Citric Acid and Low Concentration Alcohol to Strongly Acidic Electrolyzed Water. New Food Industry 2008; 50:9. Dedeepiya VD, William JB

  7. Black Hole Spectroscopy with Coherent Mode Stacking.

    Science.gov (United States)

    Yang, Huan; Yagi, Kent; Blackman, Jonathan; Lehner, Luis; Paschalidis, Vasileios; Pretorius, Frans; Yunes, Nicolás

    2017-04-21

    The measurement of multiple ringdown modes in gravitational waves from binary black hole mergers will allow for testing the fundamental properties of black holes in general relativity and to constrain modified theories of gravity. To enhance the ability of Advanced LIGO/Virgo to perform such tasks, we propose a coherent mode stacking method to search for a chosen target mode within a collection of multiple merger events. We first rescale each signal so that the target mode in each of them has the same frequency and then sum the waveforms constructively. A crucial element to realize this coherent superposition is to make use of a priori information extracted from the inspiral-merger phase of each event. To illustrate the method, we perform a study with simulated events targeting the ℓ=m=3 ringdown mode of the remnant black holes. We show that this method can significantly boost the signal-to-noise ratio of the collective target mode compared to that of the single loudest event. Using current estimates of merger rates, we show that it is likely that advanced-era detectors can measure this collective ringdown mode with one year of coincident data gathered at design sensitivity.

  8. Stacking faults in austempered ductile iron

    Energy Technology Data Exchange (ETDEWEB)

    Hermida, J.D. [CNEA, San Martin (Argentina). Dept. de Materiales

    1996-06-01

    During last decade, Austempered Ductile Iron (ADI) has been successfully used as an acceptable replacement material for steel in many applications, due to the relatively high strength and reasonable ductility obtained. These properties are the result of the special microstructure exhibited by this material at the end of the upper bainite reaction: ferrite platelets surrounded by high carbon stabilized austenite. However, at the beginning of the austempering treatment, the existence of interdendritic low carbon austenite is revealed by its transformation to martensite when cooling the sample or during subsequent deformation. The completion of the upper bainite reaction is of decisive importance to mechanical properties because the remaining martensite reduces ductility. It was observed that the rate of the upper bainite reaction is governed by the carbon content difference between the low and high carbon austenites. The carbon content is obtained by the lattice parameter measurement, because there exists a known expression that relates both magnitudes. Several works have used X-ray diffraction to measure the lattice parameter and phase concentrations as a function of austempering time. In these works, the lattice parameters were obtained directly from the {l_brace}220{r_brace} and {l_brace}311{r_brace} peaks position. The purpose of this work is to show more precise lattice parameters measurement and, very closely related to this, the existence of stacking faults in austenite, even at times within the processing window.

  9. ATLAS software stack on ARM64

    CERN Document Server

    Smith, Joshua Wyatt; The ATLAS collaboration

    2016-01-01

    The ATLAS experiment explores new hardware and software platforms that, in the future, may be more suited to its data intensive workloads. One such alternative hardware platform is the ARM architecture, which is designed to be extremely power efficient and is found in most smartphones and tablets. CERN openlab recently installed a small cluster of ARM 64-bit evaluation prototype servers. Each server is based on a single-socket ARM 64-bit system on a chip, with 32 Cortex-A57 cores. In total, each server has 128 GB RAM connected with four fast memory channels. This paper reports on the port of the ATLAS software stack onto these new prototype ARM64 servers. This included building the "external" packages that the ATLAS software relies on. Patches were needed to introduce this new architecture into the build as well as patches that correct for platform specific code that caused failures on non-x86 architectures. These patches were applied such that porting to further platforms will need no or only very little adj...

  10. Long Duration Balloon Charge Controller Stack Integration

    Science.gov (United States)

    Clifford, Kyle

    NASA and the Columbia Scientific Balloon Facility are interested in updating the design of the charge controller on their long duration balloon (LDB) in order to enable the charge controllers to be directly interfaced via RS232 serial communication by a ground testing computers and the balloon's flight computer without the need to have an external electronics stack. The design involves creating a board that will interface with the existing boards in the charge controller in order to receive telemetry from and send commands to those boards, and interface with a computer through serial communication. The inputs to the board are digital status inputs indicating things like whether the photovoltaic panels are connected or disconnected; and analog inputs with information such as the battery voltage and temperature. The outputs of the board are 100ms duration command pulses that will switch relays that do things like connect the photovoltaic panels. The main component of this design is a PIC microcontroller which translates the outputs of the existing charge controller into serial data when interrogated by a ground testing or flight computer. Other components involved in the design are an AD7888 12-bit analog to digital converter, a MAX3232 serial transceiver, various other ICs, capacitors, resistors, and connectors.

  11. Lithiation-induced shuffling of atomic stacks

    KAUST Repository

    Nie, Anmin

    2014-09-10

    In rechargeable lithium-ion batteries, understanding the atomic-scale mechanism of Li-induced structural evolution occurring at the host electrode materials provides essential knowledge for design of new high performance electrodes. Here, we report a new crystalline-crystalline phase transition mechanism in single-crystal Zn-Sb intermetallic nanowires upon lithiation. Using in situ transmission electron microscopy, we observed that stacks of atomic planes in an intermediate hexagonal (h-)LiZnSb phase are "shuffled" to accommodate the geometrical confinement stress arising from lamellar nanodomains intercalated by lithium ions. Such atomic rearrangement arises from the anisotropic lithium diffusion and is accompanied by appearance of partial dislocations. This transient structure mediates further phase transition from h-LiZnSb to cubic (c-)Li2ZnSb, which is associated with a nearly "zero-strain" coherent interface viewed along the [001]h/[111]c directions. This study provides new mechanistic insights into complex electrochemically driven crystalline-crystalline phase transitions in lithium-ion battery electrodes and represents a noble example of atomic-level structural and interfacial rearrangements.

  12. Weyl magnons in noncoplanar stacked kagome antiferromagnets

    Science.gov (United States)

    Owerre, S. A.

    2018-03-01

    Weyl nodes have been experimentally realized in photonic, electronic, and phononic crystals. However, magnonic Weyl nodes are yet to be seen experimentally. In this paper, we propose Weyl magnon nodes in noncoplanar stacked frustrated kagome antiferromagnets, naturally available in various real materials. Most crucially, the Weyl nodes in the current system occur at the lowest excitation and possess a topological thermal Hall effect, therefore they are experimentally accessible at low temperatures due to the population effect of bosonic quasiparticles. In stark contrast to other magnetic systems, the current Weyl nodes do not rely on time-reversal symmetry breaking by the magnetic order. Rather, they result from explicit macroscopically broken time reversal symmetry by the scalar spin chirality of noncoplanar spin textures and can be generalized to chiral spin liquid states. Moreover, the scalar spin chirality gives a real space Berry curvature which is not available in previously studied magnetic Weyl systems. We show the existence of magnon arc surface states connecting projected Weyl magnon nodes on the surface Brillouin zone. We also uncover the first realization of triply-degenerate nodal magnon point in the noncollinear regime with zero scalar spin chirality.

  13. Pi-pi Stacking Mediated Cooperative Mechanism for Human Cytochrome P450 3A4

    Directory of Open Access Journals (Sweden)

    Botao Fa

    2015-04-01

    Full Text Available Human Cytochrome P450 3A4 (CYP3A4 is an important member of the cytochrome P450 superfamily with responsibility for metabolizing ~50% of clinical drugs. Experimental evidence showed that CYP3A4 can adopt multiple substrates in its active site to form a cooperative binding model, accelerating substrate metabolism efficiency. In the current study, we constructed both normal and cooperative binding models of human CYP3A4 with antifungal drug ketoconazoles (KLN. Molecular dynamics simulation and free energy calculation were then carried out to study the cooperative binding mechanism. Our simulation showed that the second KLN in the cooperative binding model had a positive impact on the first one binding in the active site by two significant pi-pi stacking interactions. The first one was formed by Phe215, functioning to position the first KLN in a favorable orientation in the active site for further metabolism reactions. The second one was contributed by Phe304. This pi-pi stacking was enhanced in the cooperative binding model by the parallel conformation between the aromatic rings in Phe304 and the dioxolan moiety of the first KLN. These findings can provide an atomic insight into the cooperative binding in CYP3A4, revealing a novel pi-pi stacking mechanism for drug-drug interactions.

  14. Modelling the impact of creep on the probability of failure of a solid oxidefuel cell stack

    DEFF Research Database (Denmark)

    Greco, Fabio; Frandsen, Henrik Lund; Nakajo, Arata

    2014-01-01

    In solid oxide fuel cell (SOFC) technology a major challenge lies in balancing thermal stresses from an inevitable thermal field. The cells are known to creep, changing over time the stress field. The main objective of this study was to assess the influence of creep on the failure probability...... of an SOFC stack. A finite element analysis on a single repeating unit of the stack was performed, in which the influence of the mechanical interactions,the temperature-dependent mechanical properties and creep of the SOFC materials are considered. Moreover, stresses from the thermo-mechanical simulation...... of sintering of the cells have been obtained and were implemented into the model of the single repeating unit. The significance of the relaxation of the stresses by creep in the cell components and its influence on the probability of cell survival was investigated. Finally, the influence of cell size...

  15. Creating a Rackspace and NASA Nebula compatible cloud using the OpenStack project (Invited)

    Science.gov (United States)

    Clark, R.

    2010-12-01

    NASA and Rackspace have both provided technology to the OpenStack that allows anyone to create a private Infrastructure as a Service (IaaS) cloud using open source software and commodity hardware. OpenStack is designed and developed completely in the open and with an open governance process. NASA donated Nova, which powers the compute portion of NASA Nebula Cloud Computing Platform, and Rackspace donated Swift, which powers Rackspace Cloud Files. The project is now in continuous development by NASA, Rackspace, and hundreds of other participants. When you create a private cloud using Openstack, you will have the ability to easily interact with your private cloud, a government cloud, and an ecosystem of public cloud providers, using the same API.

  16. Efficiency of Polymer Electrolyte Membrane Fuel Cell Stack

    Directory of Open Access Journals (Sweden)

    Hans Bosma

    2011-08-01

    Full Text Available This paper applies a feedforward control of optimal oxygen excess ratio that maximize net power (improve efficiency of a NedStack P8.0-64 PEM fuel cell stack (FCS system. Net powers profile as a function of oxygen excess ratio for some points of operation are analyzed by using FCS model. The relationships between stack current and the corresponding control input voltage that gives an optimal oxygen excess ratio are used to design a feedforward control scheme. The results of this scheme are compared to the results of a feedforward control using a constant oxygen excess ratio. Simulation results show that optimal oxygen excess ratio improves fuel cell performance compared to the results of constant oxygen excess ratio. The same procedures are performed experimentally for the FCS system. The behaviour of the net power of the fuel cell stack with respect to the variation of oxygen excess ratio is analyzed to obtain optimal values. Data of stack current and the corresponding voltage input to the compressor that gives optimal values of oxygen excess ratio are used to develop a feedforward control. Feedforward control based on constant and optimal oxygen excess ratio control, are implemented in the NedStack P8.0-64 PEM fuel cell stack system by using LabVIEW. Implementation results shows that optimal oxygen excess ratio control improves the fuel cell performance compared to the constant oxygen excess ratio control.

  17. Promiscuity progression of bioactive compounds over time

    OpenAIRE

    Hu, Ye; Jasial, Swarit; Bajorath, J?rgen

    2015-01-01

    In the context of polypharmacology, compound promiscuity is rationalized as the ability of small molecules to specifically interact with multiple targets. To study promiscuity progression of bioactive compounds in detail, nearly 1 million compounds and more than 5.2 million activity records were analyzed. Compound sets were assembled by applying different data confidence criteria and selecting compounds with activity histories over many years. On the basis of release dates, compounds and acti...

  18. Electronic structure of transferred graphene/h-BN van der Waals heterostructures with nonzero stacking angles by nano-ARPES.

    Science.gov (United States)

    Wang, Eryin; Chen, Guorui; Wan, Guoliang; Lu, Xiaobo; Chen, Chaoyu; Avila, Jose; Fedorov, Alexei V; Zhang, Guangyu; Asensio, Maria C; Zhang, Yuanbo; Zhou, Shuyun

    2016-11-09

    In van der Waals heterostructures, the periodic potential from the Moiré superlattice can be used as a control knob to modulate the electronic structure of the constituent materials. Here we present a nanoscale angle-resolved photoemission spectroscopy (nano-ARPES) study of transferred graphene/h-BN heterostructures with two different stacking angles of 2.4° and 4.3° respectively. Our measurements reveal six replicas of graphene Dirac cones at the superlattice Brillouin zone (SBZ) centers. The size of the SBZ and its relative rotation angle to the graphene BZ are in good agreement with Moiré superlattice period extracted from atomic force microscopy (AFM) measurements. Comparison to the epitaxial graphene/h-BN with 0° stacking angles suggests that the interaction between graphene and h-BN decreases with increasing stacking angle.

  19. Consolidity: Stack-based systems change pathway theory elaborated

    Directory of Open Access Journals (Sweden)

    Hassen Taher Dorrah

    2014-06-01

    Full Text Available This paper presents an elaborated analysis for investigating the stack-based layering processes during the systems change pathway. The system change pathway is defined as the path resulting from the combinations of all successive changes induced on the system when subjected to varying environments, activities, events, or any excessive internal or external influences and happenings “on and above” its normal stands, situations or set-points during its course of life. The analysis is essentially based on the important overall system paradigm of “Time driven-event driven-parameters change”. Based on this paradigm, it is considered that any affected activity, event or varying environment is intelligently self-recorded inside the system through an incremental consolidity-scaled change in system parameters of the stack-based layering types. Various joint stack-based mathematical and graphical approaches supported by representable case studies are suggested for the identification, extraction, and processing of various stack-based systems changes layering of different classifications and categorizations. Moreover, some selected real life illustrative applications are provided to demonstrate the (infinite stack-based identification and recognition of the change pathway process in the areas of geology, archeology, life sciences, ecology, environmental science, engineering, materials, medicine, biology, sociology, humanities, and other important fields. These case studies and selected applications revealed that there are general similarities of the stack-based layering structures and formations among all the various research fields. Such general similarities clearly demonstrate the global concept of the “fractals-general stacking behavior” of real life systems during their change pathways. Therefore, it is recommended that concentrated efforts should be expedited toward building generic modular stack-based systems or blocks for the mathematical

  20. Mixed Mechanism of Lubrication by Lipid Bilayer Stacks.

    Science.gov (United States)

    Boţan, Alexandru; Joly, Laurent; Fillot, Nicolas; Loison, Claire

    2015-11-10

    Although the key role of lipid bilayer stacks in biological lubrication is generally accepted, the mechanisms underlying their extreme efficiency remain elusive. In this article, we report molecular dynamics simulations of lipid bilayer stacks undergoing load and shear. When the hydration level is reduced, the velocity accommodation mechanism changes from viscous shear in hydration water to interlayer sliding in the bilayers. This enables stacks of hydrated lipid bilayers to act as efficient boundary lubricants for various hydration conditions, structures, and mechanical loads. We also propose an estimation for the friction coefficient; thanks to the strong hydration forces between lipid bilayers, the high local viscosity is not in contradiction with low friction coefficients.

  1. On $k$-stellated and $k$-stacked spheres

    OpenAIRE

    Bagchi, Bhaskar; Datta, Basudeb

    2012-01-01

    We introduce the class $\\Sigma_k(d)$ of $k$-stellated (combinatorial) spheres of dimension $d$ ($0 \\leq k \\leq d + 1$) and compare and contrast it with the class ${\\cal S}_k(d)$ ($0 \\leq k \\leq d$) of $k$-stacked homology $d$-spheres. We have $\\Sigma_1(d) = {\\cal S}_1(d)$, and $\\Sigma_k(d) \\subseteq {\\cal S}_k(d)$ for $d \\geq 2k - 1$. However, for each $k \\geq 2$ there are $k$-stacked spheres which are not $k$-stellated. The existence of $k$-stellated spheres which are not $k$-stacked remains...

  2. Stacking by electroinjection with discontinuous buffers in capillary zone electrophoresis.

    Science.gov (United States)

    Shihabi, Zak K

    2002-08-01

    The work presented here demonstrates that electroinjection can be performed using discontinuous buffers, which can result in better stacking than that obtained by hydrodynamic injection. The sample can be concentrated at the tip of the capillary leaving practically the whole capillary for sample separation. This results in several advantages, such as better sample concentration, higher plate number and shorter time of stacking. However, sample introduction by electromigration is suited for samples free or low in salt content. Samples, which are high in salt content, are better introduced by the hydrodynamic injection for stacking by the discontinuous buffers. Different simple methods to introduce the discontinuity in the buffer for electroinjection are discussed.

  3. Optimized stacked RADFETs for milli-rad dose measurement

    International Nuclear Information System (INIS)

    O'Connell, B.; Lane, B.; Mohammadzadeh, A.

    1999-01-01

    This paper details the improvements in the design of stacked RADFETs for increased radiation sensitivity. The issues of high read-out voltage has been shown to be a draw-back. It is the body (bulk)effect factor that is responsible for the increased overall stack Threshold voltage (V T ), which is greater than the sum of the individual devices V T . From extensive process and device simulation and resultant circuit simulation, modified stack structures have been proposed and designed. New and exciting result of lower initial (pre-irradiation) output voltage as well as increased radiation sensitivity will be presented. (author)

  4. The Effects of Graphene Stacking on the Performance of Methane Sensor: A First-Principles Study on the Adsorption, Band Gap and Doping of Graphene

    Directory of Open Access Journals (Sweden)

    Ning Yang

    2018-02-01

    Full Text Available The effects of graphene stacking are investigated by comparing the results of methane adsorption energy, electronic performance, and the doping feasibility of five dopants (i.e., B, N, Al, Si, and P via first-principles theory. Both zigzag and armchair graphenes are considered. It is found that the zigzag graphene with Bernal stacking has the largest adsorption energy on methane, while the armchair graphene with Order stacking is opposite. In addition, both the Order and Bernal stacked graphenes possess a positive linear relationship between adsorption energy and layer number. Furthermore, they always have larger adsorption energy in zigzag graphene. For electronic properties, the results show that the stacking effects on band gap are significant, but it does not cause big changes to band structure and density of states. In the comparison of distance, the average interlamellar spacing of the Order stacked graphene is the largest. Moreover, the adsorption effect is the result of the interactions between graphene and methane combined with the change of graphene’s structure. Lastly, the armchair graphene with Order stacking possesses the lowest formation energy in these five dopants. It could be the best choice for doping to improve the methane adsorption.

  5. On the Relative Stability of Donor and Acceptor Stacks Against the Peierls Distortion in the Tetrathia- and Tetraselenafulvalenium Tetracyanoquinodimethanide Family of Organic Metals

    DEFF Research Database (Denmark)

    Andersen, Jan Rud; Taranko, A. R.; Tomkiewicz, Y.

    1987-01-01

    An organic conductor having a Peierls instability driven by donor stacks is considered. The compound is tetramethyltetraselenafulvalene-2,5-dimethyltetracyanoquinodimethane. Magnetic data confirm that the instability is donor driven. The influence of the unit cell size is examined. The unit cell...

  6. Fuel flow distribution in SOFC stacks revealed by impedance spectroscopy

    DEFF Research Database (Denmark)

    Mosbæk, Rasmus Rode; Hjelm, Johan; Barfod, Rasmus

    2014-01-01

    . An operating stack is subject to compositional gradients in the gaseous reactant streams, and temperature gradients across each cell and across the stack, which complicates detailed analysis. An experimental stack with low ohmic resistance from Topsoe Fuel Cell A/S was characterized using Electrochemical...... Impedance Spectroscopy (EIS). The stack measurement geometry was optimized for EIS by careful selection of the placement of current feeds and voltage probes in order to minimize measurement errors. It was demonstrated that with the improved placement of current feeds and voltage probes it is possible...... to separate the loss contributions in an ohmic and a polarization part and that the low frequency response is useful in detecting mass transfer limitations. This methodology can be used to detect possible minor changes in the supply of gas to the individual cells, which is important when going to high fuel...

  7. Simulation of magnetization and levitation characteristics of HTS tape stacks

    Science.gov (United States)

    Anischenko, I. V.; Pokrovskii, S. V.; Mineev, N. A.

    2017-12-01

    In this work it is presented a computational model of a magnetic levitation system based on stacks of high-temperature second generation superconducting tapes (HTS) GdBa2Cu3O7-x. Calculated magnetic field and the current distributions in the system for different stacks geometries in the zero-field cooling mode are also presented. The magnetization curves of the stacks in the external field of a permanent NdFeB magnet and the levitation force dependence on the gap between the magnet and the HTS tapes stack were obtained. A model of the magnetic system, oriented to levitation application, is given. Results of modeling were compared with the experimental data.

  8. Fast principal component analysis for stacking seismic data

    Science.gov (United States)

    Wu, Juan; Bai, Min

    2018-04-01

    Stacking seismic data plays an indispensable role in many steps of the seismic data processing and imaging workflow. Optimal stacking of seismic data can help mitigate seismic noise and enhance the principal components to a great extent. Traditional average-based seismic stacking methods cannot obtain optimal performance when the ambient noise is extremely strong. We propose a principal component analysis (PCA) algorithm for stacking seismic data without being sensitive to noise level. Considering the computational bottleneck of the classic PCA algorithm in processing massive seismic data, we propose an efficient PCA algorithm to make the proposed method readily applicable for industrial applications. Two numerically designed examples and one real seismic data are used to demonstrate the performance of the presented method.

  9. Static analysis of worst-case stack cache behavior

    DEFF Research Database (Denmark)

    Jordan, Alexander; Brandner, Florian; Schoeberl, Martin

    2013-01-01

    Utilizing a stack cache in a real-time system can aid predictability by avoiding interference that heap memory traffic causes on the data cache. While loads and stores are guaranteed cache hits, explicit operations are responsible for managing the stack cache. The behavior of these operations can......-graph, the worst-case bounds can be efficiently yet precisely determined. Our evaluation using the MiBench benchmark suite shows that only 37% and 21% of potential stack cache operations actually store to and load from memory, respectively. Analysis times are modest, on average running between 0.46s and 1.30s per...... be analyzed statically. We present algorithms that derive worst-case bounds on the latency-inducing operations of the stack cache. Their results can be used by a static WCET tool. By breaking the analysis down into subproblems that solve intra-procedural data-flow analysis and path searches on the call...

  10. A Stack Cache for Real-Time Systems

    DEFF Research Database (Denmark)

    Schoeberl, Martin; Nielsen, Carsten

    2016-01-01

    Real-time systems need time-predictable computing platforms to allowfor static analysis of the worst-case execution time. Caches are important for good performance, but data caches arehard to analyze for the worst-case execution time. Stack allocated data has different properties related to local......Real-time systems need time-predictable computing platforms to allowfor static analysis of the worst-case execution time. Caches are important for good performance, but data caches arehard to analyze for the worst-case execution time. Stack allocated data has different properties related...... to locality, lifetime, and static analyzability of access addresses comparedto static or heap allocated data. Therefore, caching of stack allocateddata benefits from having its own cache. In this paper we present a cache architecture optimized for stack allocateddata. This cache is additional to the normal...

  11. DBaaS with OpenStack Trove

    CERN Document Server

    Giardini, Andrea

    2013-01-01

    The purpose of the project was to evaluate the Trove component for OpenStack, understand if it can be used with the CERN infrastructure and report the benefits and disadvantages of this software. Currently, databases for CERN projects are provided by a DbaaS software developed inside the IT-DB group. This solution works well with the actual infrastructure but it is not easy to maintain. With the migration of the CERN infrastructure to OpenStack the Database group started to evaluate the Trove component. Instead of mantaining an own DbaaS service it can be interesting to migrate everything to OpenStack and replace the actual DbaaS software with Trove. This way both virtual machines and databases will be managed by OpenStack itself.

  12. Stacking dependence of carrier transport properties in multilayered black phosphorous.

    Science.gov (United States)

    Sengupta, A; Audiffred, M; Heine, T; Niehaus, T A

    2016-02-24

    We present the effect of different stacking orders on carrier transport properties of multi-layer black phosphorous. We consider three different stacking orders AAA, ABA and ACA, with increasing number of layers (from 2 to 6 layers). We employ a hierarchical approach in density functional theory (DFT), with structural simulations performed with generalized gradient approximation (GGA) and the bandstructure, carrier effective masses and optical properties evaluated with the meta-generalized gradient approximation (MGGA). The carrier transmission in the various black phosphorous sheets was carried out with the non-equilibrium green's function (NEGF) approach. The results show that ACA stacking has the highest electron and hole transmission probabilities. The results show tunability for a wide range of band-gaps, carrier effective masses and transmission with a great promise for lattice engineering (stacking order and layers) in black phosphorous.

  13. SEE on Different Layers of Stacked-SRAMs

    CERN Document Server

    Gupta, V; Tsiligiannis, G; Rousselet, M; Mohammadzadeh, A; Javanainen, A; Virtanen, A; Puchner, H; Saigné, F; Wrobel, F; Dilillo, L

    2015-01-01

    This paper presents heavy-ion and proton radiation test results of a 90 nm COTS SRAM with stacked structure. Radiation tests were made using high penetration heavy-ion cocktails at the HIF (Belgium) and at RADEF (Finland) as well as low energy protons at RADEF. The heavy-ion SEU cross-section showed an unusual profile with a peak at the lowest LET (heavy-ion with the highest penetration range). The discrepancy is due to the fact that the SRAM is constituted of two vertically stacked dice. The impact of proton testing on the response of both stacked dice is presented. The results are discussed and the SEU cross-sections of the upper and lower layers are compared. The impact of the stacked structure on the proton SEE rate is investigated.

  14. How to satisfy the energy-momentum conservation law and to take into account Fermi motion of constituents in simulation of compound system interactions

    International Nuclear Information System (INIS)

    Uzhinskij, V.V.; Shmakov, S.Yu.

    1988-01-01

    A method is suggested which enables one to take unto account the Fermi motion of nuclear nucleons in Monte-Carlo simulation of exclusive states in hadron-nucleus and nucleus-nucleus interactions and, in hadron-hadron interaction simulation, to take into account the quark transverse momentum without violation of the energy-momentum conservation law

  15. Modeling of a Stacked Power Module for Parasitic Inductance Extraction

    Science.gov (United States)

    2017-09-15

    ARL-TR-8138 ● SEP 2017 US Army Research Laboratory Modeling of a Stacked Power Module for Parasitic Inductance Extraction by...not return it to the originator. ARL-TR-8138 ● SEP 2017 US Army Research Laboratory Modeling of a Stacked Power Module for...aware that notwithstanding any other provision of law , no person shall be subject to any penalty for failing to comply with a collection of information if

  16. National Spherical Torus Experiment (NSTX) Center Stack Upgrade

    International Nuclear Information System (INIS)

    Neumeyer, C.; Avasarala, S.; Chrzanowski, J.; Dudek, L.; Fan, H.; Hatcher, H.; Heitzenroeder, P.; Menard, J.; Ono, M.; Ramakrishnan, S.; Titus, P.; Woolley, R.; Zhan, H.

    2009-01-01

    The purpose of the NSTX Center Stack Upgrade project is to expand the NSTX operational space and thereby the physics basis for next-step ST facilities. The plasma aspect ratio (ratio of plasma major to minor radius) of the upgrade is increased to 1.5 from the original value of 1.26, which increases the cross sectional area of the center stack by a factor of ∼ 3 and makes possible higher levels of performance and pulse duration.

  17. A new method for beam stacking in storage rings

    Energy Technology Data Exchange (ETDEWEB)

    Bhat, C.M.; /Fermilab

    2008-06-01

    Recently, I developed a new beam stacking scheme for synchrotron storage rings called 'longitudinal phase-space coating' (LPSC). This scheme has been convincingly validated by multi-particle beam dynamics simulations and has been demonstrated with beam experiments at the Fermilab Recycler. Here, I present the results from both simulations and experiments. The beam stacking scheme presented here is the first of its kind.

  18. LOFT diesel generator ''A'' exhaust stack seismic analysis

    International Nuclear Information System (INIS)

    Blandford, R.K.

    1978-01-01

    A stress analysis of the LOFT Diesel Generator ''A'' Exhaust Stack was performed to determine its reaction to Safe-Shutdown Earthquake loads. The exhaust stack silencer and supporting foundation was found to be inadequate for the postulated seismic accelerations. Lateral support is required to prevent overturning of the silencer pedestal and reinforcement of the 4'' x 0.5'' silencer base straps is necessary. Basic requirements for this additional support are discussed

  19. Field-induced stacking transition of biofunctionalized trilayer graphene

    Energy Technology Data Exchange (ETDEWEB)

    Masato Nakano, C. [Flintridge Preparatory School, La Canada, California 91011 (United States); Sajib, Md Symon Jahan; Samieegohar, Mohammadreza; Wei, Tao [Dan F. Smith Department of Chemical Engineering, Lamar University, Beaumont, Texas 77710 (United States)

    2016-02-01

    Trilayer graphene (TLG) is attracting a lot of attention as their stacking structures (i.e., rhombohedral vs. Bernal) drastically affect electronic and optical properties. Based on full-atom molecular dynamics simulations, we here predict electric field-induced rhombohedral-to-Bernal transition of TLG tethered with proteins. Furthermore, our simulations show that protein's electrophoretic mobility and diffusivity are enhanced on TLG surface. This phenomenon of controllable TLG stacking transition will contribute to various applications including biosensing.

  20. Measurements of proton energy spectra using a radiochromic film stack

    Science.gov (United States)

    Filkins, T. M.; Steidle, Jessica; Ellison, D. M.; Steidle, Jeffrey; Freeman, C. G.; Padalino, S. J.; Fiksel, G.; Regan, S. P.; Sangster, T. C.

    2014-10-01

    The energy spectrum of protons accelerated from the rear-side of a thin foil illuminated with ultra-intense laser light from the OMEGA EP laser system at the University of Rochester's Laboratory for Laser Energetics (LLE) was measured using a stack of radiochromic film (RCF). The film stack consisted of four layers of Gafchromic HD-V2 film and four layers of Gafchromic MD-V2-55 film. Aluminum foils of various thicknesses were placed between each piece of RCF in the stack. This arrangement allowed protons with energies of 30 MeV to reach the back layer of RCF in the stack. The stack was placed in the detector plane of a Thomson parabola ion energy (TPIE) spectrometer. Each piece of film in the stack was scanned using a commercially available flat-bed scanner (Epson 10000XL). The resulting optical density was converted into proton fluence using an absolute calibration of the RCF obtained at the SUNY Geneseo 1.7 MV Pelletron accelerator laboratory. In these calibration measurements, the sensitivity of the radiochromic film was measured using monoenergetic protons produced by the accelerator. Details of the analysis procedure and the resulting proton energy spectra will be presented. Funded in part by a grant from the DOE through the Laboratory for Laser Energetics.

  1. Standoff Stack Emissions Monitoring Using Short Range Lidar

    Science.gov (United States)

    Gravel, Jean-Francois Y.; Babin, Francois; Allard, Martin

    2016-06-01

    There are well documented methods for stack emissions monitoring. These are all based on stack sampling through sampling ports in well defined conditions. Once sampled, the molecules are quantified in instruments that often use optical techniques. Unfortunately sampling ports are not found on all stacks/ducts or the use of the sampling ports cannot be planned efficiently because of operational constraints or the emissions monitoring equipment cannot be driven to a remote stack/duct. Emissions monitoring using many of the same optical techniques, but at a standoff distance, through the atmosphere, using short range high spatial resolution lidar techniques was thus attempted. Standoff absorption and Raman will be discussed and results from a field campaign will be presented along with short descriptions of the apparatus. In the first phase of these tests, the molecules that were targeted were NO and O2. Spatially resolved optical measurements allow for standoff identification and quantification of molecules, much like the standardized methods, except for the fact that it is not done in the stack, but in the plume formed by the emissions from the stack. The pros and cons will also be discussed, and in particular the problem of mass emission estimates that require the knowledge of the flow rate and the distribution of molecular concentration in the plane of measurement.

  2. Standoff Stack Emissions Monitoring Using Short Range Lidar

    Directory of Open Access Journals (Sweden)

    Gravel Jean-Francois Y.

    2016-01-01

    Full Text Available There are well documented methods for stack emissions monitoring. These are all based on stack sampling through sampling ports in well defined conditions. Once sampled, the molecules are quantified in instruments that often use optical techniques. Unfortunately sampling ports are not found on all stacks/ducts or the use of the sampling ports cannot be planned efficiently because of operational constraints or the emissions monitoring equipment cannot be driven to a remote stack/duct. Emissions monitoring using many of the same optical techniques, but at a standoff distance, through the atmosphere, using short range high spatial resolution lidar techniques was thus attempted. Standoff absorption and Raman will be discussed and results from a field campaign will be presented along with short descriptions of the apparatus. In the first phase of these tests, the molecules that were targeted were NO and O2. Spatially resolved optical measurements allow for standoff identification and quantification of molecules, much like the standardized methods, except for the fact that it is not done in the stack, but in the plume formed by the emissions from the stack. The pros and cons will also be discussed, and in particular the problem of mass emission estimates that require the knowledge of the flow rate and the distribution of molecular concentration in the plane of measurement.

  3. Synthesis and Crystal Structures of Two New Oxaspirocyclic Compounds

    Directory of Open Access Journals (Sweden)

    Jinhe Jiang

    2016-10-01

    Full Text Available Two new oxaspirocyclic compounds, 8-(4-(dimethylaminobenzylidene-6,10-dioxaspiro[4.5]decane-7,9-dione (1 and 8-(4-hydroxybenzylidene-6,10-dioxaspiro[4.5]decane-7,9-dione (2 have been synthesized and their structures determined by single crystal X-ray crystallography. Compound 1, C17H19NO4, belongs to the monoclinic system, space group P21/c with a = 6.2554(13 Å, b = 14.605(3 Å, c = 16.265(3 Å, β = 95.97(3°, V = 1477.9(5 Å3, Z = 4, Dc = 1.354 g/cm3, F(000 = 640, μ(MoKa = 0.097 mm−1, the final R = 0.0570 and wR = 0.1667. Compound 2, C15H14O5, is also of the monoclinic system, space group P21/c with a = 10.739(2 Å, b = 18.348(4 Å, c = 6.7799(14 Å, β = 104.20(3°, V = 1295.1(5 Å3, Z = 4, Dc = 1.407 g/cm3, F(000 = 608, μ(MoKa = 0.106 mm−1, the final R = 0.0568 and wR = 0.1739. Some C–H···O intra- and intermolecular hydrogen bonds and π··· π stacking interactions are both observed in the two lattice structures. The difference between them is that one type of C–H···π supramolecular interaction (1 and one type of O–H···O intermolecular hydrogen bond (2 are observed.

  4. Unusual reflection of electromagnetic radiation from a stack of graphene layers at oblique incidence

    International Nuclear Information System (INIS)

    Bludov, Yu V; Peres, N M R; Vasilevskiy, M I

    2013-01-01

    We study the interaction of electromagnetic (EM) radiation with single-layer graphene and a stack of parallel graphene sheets at arbitrary angles of incidence. It is found that the behavior is qualitatively different for transverse magnetic (or p-polarized) and transverse electric (or s-polarized) waves. In particular, the absorbance of single-layer graphene attains a minimum (maximum) for the p (s)-polarization at the angle of total internal reflection when the light comes from a medium with a higher dielectric constant. In the case of equal dielectric constants of the media above and beneath graphene, for grazing incidence graphene is almost 100% transparent to p-polarized waves and acts as a tunable mirror for the s-polarization. These effects are enhanced for a stack of graphene sheets, so the system can work as a broad band polarizer. It is shown further that a periodic stack of graphene layers has the properties of a one-dimensional photonic crystal, with gaps (or stop bands) at certain frequencies. When an incident EM wave is reflected from this photonic crystal, the tunability of the graphene conductivity renders the possibility of controlling the gaps, and the structure can operate as a tunable spectral-selective mirror. (paper)

  5. Porous Structures in Stacked, Crumpled and Pillared Graphene-Based 3D Materials.

    Science.gov (United States)

    Guo, Fei; Creighton, Megan; Chen, Yantao; Hurt, Robert; Külaots, Indrek

    2014-01-01

    Graphene, an atomically thin material with the theoretical surface area of 2600 m 2 g -1 , has great potential in the fields of catalysis, separation, and gas storage if properly assembled into functional 3D materials at large scale. In ideal non-interacting ensembles of non-porous multilayer graphene plates, the surface area can be adequately estimated using the simple geometric law ~ 2600 m 2 g -1 /N, where N is the number of graphene sheets per plate. Some processing operations, however, lead to secondary plate-plate stacking, folding, crumpling or pillaring, which give rise to more complex structures. Here we show that bulk samples of multilayer graphene plates stack in an irregular fashion that preserves the 2600/N surface area and creates regular slot-like pores with sizes that are multiples of the unit plate thickness. In contrast, graphene oxide deposits into films with massive area loss (2600 to 40 m 2 g -1 ) due to nearly perfect alignment and stacking during the drying process. Pillaring graphene oxide sheets by co-deposition of colloidal-phase particle-based spacers has the potential to partially restore the large monolayer surface. Surface areas as high as 1000 m 2 g -1 are demonstrated here through colloidal-phase deposition of graphene oxide with water-dispersible aryl-sulfonated ultrafine carbon black as a pillaring agent.

  6. Likelihood of atom–atom contacts in crystal structures of halogenated organic compounds

    Directory of Open Access Journals (Sweden)

    Christian Jelsch

    2015-05-01

    Full Text Available The likelihood of occurrence of intermolecular contacts in crystals of halogenated organic compounds has been analysed statistically using tools based on the Hirshfeld surface. Several families of small halogenated molecules (containing organic F, Cl, Br or I atoms were analysed, based on chemical composition and aromatic or aliphatic character. The behaviour of crystal contacts was also probed for molecules containing O or N. So-called halogen bonding (a halogen making short interactions with O or N, or a π interaction with C is generally disfavoured, except when H is scarce on the molecular surface. Similarly, halogen...halogen contacts are more rare than expected, except for molecules that are poor in H. In general, the H atom is found to be the preferred partner of organic halogen atoms in crystal structures. On the other hand, C...C interactions in parallel π-stacking have a high propensity to occur in halogenated aromatic molecules. The behaviour of the four different halogen species (F, Cl, Br, I is compared in several chemical composition contexts. The analysis tool can be refined by distinguishing several types for a given chemical species, such as H atoms bound to O or C. Such distinction shows, for instance, that C—H...Cl and O—H...O are the preferred interactions in compounds containing both O and Cl.

  7. The Extract of Aster Koraiensis Prevents Retinal Pericyte Apoptosis in Diabetic Rats and Its Active Compound, Chlorogenic Acid Inhibits AGE Formation and AGE/RAGE Interaction

    Science.gov (United States)

    Kim, Junghyun; Jo, Kyuhyung; Lee, Ik-Soo; Kim, Chan-Sik; Kim, Jin Sook

    2016-01-01

    Retinal capillary cell loss is a hallmark of early diabetic retinal changes. Advanced glycation end products (AGEs) are believed to contribute to retinal microvascular cell loss in diabetic retinopathy. In this study, the protective effects of Aster koraiensis extract (AKE) against damage to retinal vascular cells were investigated in streptozotocin (STZ)-induced diabetic rats. To examine this issue further, AGE accumulation, nuclear factor-kappaB (NF-κB) and inducible nitric oxide synthase (iNOS) were investigated using retinal trypsin digests from streptozotocin-induced diabetic rats. In the diabetic rats, TUNEL (Terminal deoxynucleotidyl transferase mediated dUTP Nick End Labeling)-positive retinal microvascular cells were markedly increased. Immunohistochemical studies revealed that AGEs were accumulated within the retinal microvascular cells, and this accumulation paralleled the activation of NF-κB and the expression of iNOS in the diabetic rats. However, AKE prevented retinal microvascular cell apoptosis through the inhibition of AGE accumulation and NF-κB activation. Moreover, to determine the active compounds of AKE, two major compounds, chlorogenic acid and 3,5-di-O-caffeoylquinic acid, were tested in an in vitro assay. Among these compounds, chlorogenic acid significantly reduced AGE formation as well as AGE/RAGE (receptor for AGEs) binding activity. These results suggest that AKE, particularly chlorogenic acid, is useful in inhibiting AGE accumulation in retinal vessels and exerts a preventive effect against the injuries of diabetic retinal vascular cells. PMID:27657123

  8. Insights from the predicted interactions of plant derived compounds to the gluco-corticoid receptor as an alternative to dexa-methasone.

    Science.gov (United States)

    Sarmah, Rajeev

    2012-01-01

    Dexamethasone (DEX) an anti-inflamatory 9-fluoro-glucocorticoid, activates the cytosolic glucocorticoid receptor (GR) binding to its Ligand Binding Domain (LBD). The GR-ligand complex then translocates to the nucleus and binds to the Glucocorticoid Response Element (GRE) resulting up-regulation of target gene expression of anti-inflamatory proteins. DEX is one of the most effective ligand for GR activation but comply to side effects. Therefore, alternative for DEX - plant metabolites of Calotropis sp and Swertia chirata were screened using docking appraoch. These plants compounds were selected because; parts of these plants are widely used againsts inflamation, allergy, asthma etc. Three metabolites of Swertia chirata namely Gentianine (GENT), Xanthone (XANT) and Swerchirin (SWER) are found to be occupying the same binding pocket in the LBD of the GR (PDB ID 1M2Z). The binding affinity as reflected by binding energies of GENT-1M2Z, XANT-1M2Z and SWER-1M2Z are -5.6, -6.7 and -6.7, and all the output parameter of the respective compounds positively correlates with that of DEX-1M2Z with r = 0.9, 0.6 and 0.6 respectively indicating similar GR activation function. Visualization analysis of the models clearly indicates that GENT and SWER may be GR activators. Rest of the compounds mostly docked onto the surface of the receptor molecule.

  9. The Extract of Aster Koraiensis Prevents Retinal Pericyte Apoptosis in Diabetic Rats and Its Active Compound, Chlorogenic Acid Inhibits AGE Formation and AGE/RAGE Interaction

    Directory of Open Access Journals (Sweden)

    Junghyun Kim

    2016-09-01

    Full Text Available Retinal capillary cell loss is a hallmark of early diabetic retinal changes. Advanced glycation end products (AGEs are believed to contribute to retinal microvascular cell loss in diabetic retinopathy. In this study, the protective effects of Aster koraiensis extract (AKE against damage to retinal vascular cells were investigated in streptozotocin (STZ-induced diabetic rats. To examine this issue further, AGE accumulation, nuclear factor-kappaB (NF-κB and inducible nitric oxide synthase (iNOS were investigated using retinal trypsin digests from streptozotocin-induced diabetic rats. In the diabetic rats, TUNEL (Terminal deoxynucleotidyl transferase mediated dUTP Nick End Labeling-positive retinal microvascular cells were markedly increased. Immunohistochemical studies revealed that AGEs were accumulated within the retinal microvascular cells, and this accumulation paralleled the activation of NF-κB and the expression of iNOS in the diabetic rats. However, AKE prevented retinal microvascular cell apoptosis through the inhibition of AGE accumulation and NF-κB activation. Moreover, to determine the active compounds of AKE, two major compounds, chlorogenic acid and 3,5-di-O-caffeoylquinic acid, were tested in an in vitro assay. Among these compounds, chlorogenic acid significantly reduced AGE formation as well as AGE/RAGE (receptor for AGEs binding activity. These results suggest that AKE, particularly chlorogenic acid, is useful in inhibiting AGE accumulation in retinal vessels and exerts a preventive effect against the injuries of diabetic retinal vascular cells.

  10. Evolution of risk assessment strategies for food and feed uses of stacked GM events.

    Science.gov (United States)

    Kramer, Catherine; Brune, Phil; McDonald, Justin; Nesbitt, Monique; Sauve, Alaina; Storck-Weyhermueller, Sabine

    2016-09-01

    Data requirements are not harmonized globally for the regulation of food and feed derived from stacked genetically modified (GM) events, produced by combining individual GM events through conventional breeding. The data required by some regulatory agencies have increased despite the absence of substantiated adverse effects to animals or humans from the consumption of GM crops. Data from studies conducted over a 15-year period for several stacked GM event maize (Zea mays L.) products (Bt11 ×  GA21, Bt11 ×  MIR604, MIR604 ×  GA21, Bt11 ×  MIR604 ×  GA21, Bt11 ×  MIR162 ×  GA21 and Bt11 ×  MIR604 ×  MIR162 ×  GA21), together with their component single events, are presented. These data provide evidence that no substantial changes in composition, protein expression or insert stability have occurred after combining the single events through conventional breeding. An alternative food and feed risk assessment strategy for stacked GM events is suggested based on a problem formulation approach that utilizes (i) the outcome of the single event risk assessments, and (ii) the potential for interactions in the stack, based on an understanding of the mode of action of the transgenes and their products. © 2016 The Authors. Plant Biotechnology Journal published by Society for Experimental Biology and The Association of Applied Biologists and John Wiley & Sons Ltd.

  11. Multipurpose Compound

    Science.gov (United States)

    1983-01-01

    Specially formulated derivatives of an unusual basic compound known as Alcide may be the answer to effective treatment and prevention of the disease bovine mastitis, a bacterial inflammation of a cow's mammary gland that results in loss of milk production and in extreme cases, death. Manufactured by Alcide Corporation the Alcide compound has killed all tested bacteria, virus and fungi, shortly after contact, with minimal toxic effects on humans or animals. Alcide Corporation credits the existence of the mastitis treatment/prevention products to assistance provided the company by NERAC, Inc.

  12. Interfacing HTCondor-CE with OpenStack

    Science.gov (United States)

    Bockelman, B.; Caballero Bejar, J.; Hover, J.

    2017-10-01

    Over the past few years, Grid Computing technologies have reached a high level of maturity. One key aspect of this success has been the development and adoption of newer Compute Elements to interface the external Grid users with local batch systems. These new Compute Elements allow for better handling of jobs requirements and a more precise management of diverse local resources. However, despite this level of maturity, the Grid Computing world is lacking diversity in local execution platforms. As Grid Computing technologies have historically been driven by the needs of the High Energy Physics community, most resource providers run the platform (operating system version and architecture) that best suits the needs of their particular users. In parallel, the development of virtualization and cloud technologies has accelerated recently, making available a variety of solutions, both commercial and academic, proprietary and open source. Virtualization facilitates performing computational tasks on platforms not available at most computing sites. This work attempts to join the technologies, allowing users to interact with computing sites through one of the standard Computing Elements, HTCondor-CE, but running their jobs within VMs on a local cloud platform, OpenStack, when needed. The system will re-route, in a transparent way, end user jobs into dynamically-launched VM worker nodes when they have requirements that cannot be satisfied by the static local batch system nodes. Also, once the automated mechanisms are in place, it becomes straightforward to allow an end user to invoke a custom Virtual Machine at the site. This will allow cloud resources to be used without requiring the user to establish a separate account. Both scenarios are described in this work.

  13. Volatile organic compounds in emissions from brown-coal-fired residential stoves

    International Nuclear Information System (INIS)

    Engewald, W.; Knobloch, T.; Efer, J.

    1993-01-01

    Volatile organic compounds were determined in stack-gas emissions from the residential burning of brown-coal briquets using adsorptive enrichment on hydrophobic adsorbents, thermal desorption and capillary-gas chromatographic analysis. 152 compounds were identified and quantified. Quantitative emission factors of the identified individual compounds were determined in relation to the amount of the fuel used. These factors permit assessment of the pollution of the city of Leipzig with volatile organic compounds resulting from the burning of indigenous lignite. (orig.) [de

  14. Mesoionic Compounds

    Indian Academy of Sciences (India)

    Sydnone, the representative mesoionic compound has been extensively studied because of its unusual structure, chemi- cal properties and synthetic utility. Sydnone is used as a versatile synthon in heterocyclic synthesis. This article gives a brief account of the comparative studies of the structural features of mesoionic ...

  15. Three-Dimensional Modeling of the Detonation of a Munitions Stack and the Loading on an Adjacent Stack Protected by a Water Barricade

    National Research Council Canada - National Science Library

    Lottero, Richard

    2001-01-01

    This report describes the results of three-dimensional (3-D) hydrocode computations modeling the detonation of a donor munitions stack and the loading on and response of a protective water barricade and a nearby acceptor munitions stack...

  16. Generalized diffraction-stack migration and filtering of coherent noise

    KAUST Repository

    Zhan, Ge

    2014-01-27

    We reformulate the equation of reverse-time migration so that it can be interpreted as summing data along a series of hyperbola-like curves, each one representing a different type of event such as a reflection or multiple. This is a generalization of the familiar diffraction-stack migration algorithm where the migration image at a point is computed by the sum of trace amplitudes along an appropriate hyperbola-like curve. Instead of summing along the curve associated with the primary reflection, the sum is over all scattering events and so this method is named generalized diffraction-stack migration. This formulation leads to filters that can be applied to the generalized diffraction-stack migration operator to mitigate coherent migration artefacts due to, e.g., crosstalk and aliasing. Results with both synthetic and field data show that generalized diffraction-stack migration images have fewer artefacts than those computed by the standard reverse-time migration algorithm. The main drawback is that generalized diffraction-stack migration is much more memory intensive and I/O limited than the standard reverse-time migration method. © 2014 European Association of Geoscientists & Engineers.

  17. Effect of flow parameters on flare stack generator noise

    International Nuclear Information System (INIS)

    Dinn, T.S.

    1998-01-01

    The SoundPLAN Computer Noise Model was used to determine the general effect of flare noise in a community adjacent to a petrochemical plant. Tests were conducted to determine the effect of process flow conditions and the pulsating flame on the flare stack generator noise from both a refinery flare and process flare. Flaring under normal plant operations, the flaring of fuel gas and the flaring of hydrogen were the three conditions that were tested. It was shown that the steam flow rate was the determining factor in the flare stack generated noise. Variations in the water seal level in the flare line surge tank increased or decreased the gas flowrate, which resulted in a pulsating flame. The period and amplitude of the pulsating noise from the flare stacks was determined by measuring several parameters. Flare stack noise oscillations were found to be greater for the process flare than for the refinery flare stack. It was suggested that minimizing the amount of steam fed to the flare and improving the burner design would minimize noise. 2 tabs., 6 figs

  18. Estimation of stacking fault and twin energies in transition metals

    International Nuclear Information System (INIS)

    Papon, Anne-Marie

    1979-01-01

    As twins and stacking faults play an important role in the plastic deformation of metals, the objective of this research thesis is, by using an as correct as possible description of band d state density, to assess the internal energy of twins and stacking faults in metals with a CFC, HC or CC crystal structure. If, in transition metals, cohesion mainly results from d electron attraction, other terms intervening in crystal equilibrium must also be taken into account. Thus, the author proposes a decomposition of cohesion energy. The geometry of twins and stacking faults in compact phases is defined, and energy calculations are presented and discussed. Alloying effects are then addressed, as well as a general comparison with available experimental results. After a geometric description of twins and stacking faults in CC structures, their energies are calculated for a Gaussian distribution of state density. For higher order moments, defect energy due to d orbital anisotropy is assessed, and then applied to energy and stability calculations in twins and stacking faults for various relaxed atomic configurations

  19. Anisotropic magnetic interactions and spin dynamics in the spin-chain compound Cu (py) 2Br2 : An experimental and theoretical study

    Science.gov (United States)

    Zeisner, J.; Brockmann, M.; Zimmermann, S.; Weiße, A.; Thede, M.; Ressouche, E.; Povarov, K. Yu.; Zheludev, A.; Klümper, A.; Büchner, B.; Kataev, V.; Göhmann, F.

    2017-07-01

    We compare theoretical results for electron spin resonance (ESR) properties of the Heisenberg-Ising Hamiltonian with ESR experiments on the quasi-one-dimensional magnet Cu (py) 2Br2 (CPB). Our measurements were performed over a wide frequency and temperature range giving insight into the spin dynamics, spin structure, and magnetic anisotropy of this compound. By analyzing the angular dependence of ESR parameters (resonance shift and linewidth) at room temperature, we show that the two weakly coupled inequivalent spin-chain types inside the compound are well described by Heisenberg-Ising chains with their magnetic anisotropy axes perpendicular to the chain direction and almost perpendicular to each other. We further determine the full g tensor from these data. In addition, the angular dependence of the linewidth at high temperatures gives us access to the exponent of the algebraic decay of a dynamical correlation function of the isotropic Heisenberg chain. From the temperature dependence of static susceptibilities, we extract the strength of the exchange coupling (J /kB=52.0 K ) and the anisotropy parameter (δ ≈-0.02 ) of the model Hamiltonian. An independent compatible value of δ is obtained by comparing the exact prediction for the resonance shift at low temperatures with high-frequency ESR data recorded at 4 K . The spin structure in the ordered state implied by the two (almost) perpendicular anisotropy axes is in accordance with the propagation vector determined from neutron scattering experiments. In addition to undoped samples, we study the impact of partial substitution of Br by Cl ions on spin dynamics. From the dependence of the ESR linewidth on the doping level, we infer an effective decoupling of the anisotropic component J δ from the isotropic exchange J in these systems.

  20. Communication: Thermodynamics of stacking disorder in ice nuclei

    Science.gov (United States)

    Quigley, D.

    2014-09-01

    A simple Ising-like model for the stacking thermodynamics of ice 1 is constructed for nuclei in supercooled water, and combined with classical nucleation theory. For relative stabilities of cubic and hexagonal ice I within the range of experimental estimates, this predicts critical nuclei are stacking disordered at strong sub-cooling, consistent with recent experiments. At higher temperatures nucleation of pure hexagonal ice is recovered. Lattice-switching Monte-Carlo is applied to accurately compute the relative stability of cubic and hexagonal ice for the popular mW model of water. Results demonstrate that this model fails to adequately capture the relative energetics of the two polytypes, leading to stacking disorder at all temperatures.

  1. Reliability assessment of germanium gate stacks with promising initial characteristics

    Science.gov (United States)

    Lu, Cimang; Lee, Choong Hyun; Nishimura, Tomonori; Nagashio, Kosuke; Toriumi, Akira

    2015-02-01

    This work reports on the reliability assessment of germanium (Ge) gate stacks with promising initial electrical properties, with focus on trap generation under a constant electric stress field (Estress). Initial Ge gate stack properties do not necessarily mean highly robust reliability when it is considered that traps are newly generated under high Estress. A small amount of yttrium- or scandium oxide-doped GeO2 (Y-GeO2 or Sc-GeO2, respectively) significantly reduces trap generation in Ge gate stacks without deterioration of the interface. This is explained by the increase in the average coordination number (Nav) of the modified GeO2 network that results from the doping.

  2. Thermoacoustic design using stem of goose down stack

    Science.gov (United States)

    Farikhah, Irna; Ristanto, Sigit; Idrus, Hadiyati; Kaltsum, Ummi; Faisal, Affandi; Setiawan, Ihsan; Setio Utomo, Agung Bambang

    2012-09-01

    Many refrigerators using CFC as a refrigerant are seen as the cause of the depletion of ozone. Hence, thermoacoustic was chosen as an alternative refrigerator that safe for environment. There are many variable that influenced the optimization of thermoacoustic design. One of them is thermal conductivity of material of stack. The Stack material must have a low thermal conductivity. In this research we used organic stack made of stem of goose down. It has superior thermal insulating. It means that they have the lowest thermal conductivity. The system uses no refrigerant or compressor, and the only mechanical moving part is the loudspeaker connected to a signal generator that produces the acoustic. The working fluid is air and the material of resonator is stainless steel. A series test on the laboratory found that there is a decrease of 5°C in temperature for about 2 minutes.

  3. The measurement of power reactor stack releases under accident conditions

    International Nuclear Information System (INIS)

    Stroem, L.

    1989-01-01

    The performance of a typical Swedish monitor for ventilation stack radioactivity releases is examined critically with respect to accident generated radioactive particles. The conditions in the stack, particle character, and the monitor design are considered. A large LOCA outside the containment leads to high relative humidity, and high temperature, or mist in the stack. A small external LOCA results in a moderate increase in temperature and humidity, and condensing conditions only with reduced ventilation. Particle size and stickiness are estimated for different types of accident. A particle is sticky if it adheres after contact with a solid, smooth, dry, and clean surface. The monitor performance is concluded to be poor for large, sticky particles, like mist droplets. Dense aerosols, like fire smoke, will plug the sampling filter. Non-sticky particles are generally sampled with acceptable accuracy. (au)

  4. Electric toy vehicle powered by a PEMFC stack

    Energy Technology Data Exchange (ETDEWEB)

    Beneito, Ruben; Vilaplana, Joaquin; Gisbert, Santiago [Technological Institute for Toy (AIJU), 03440 Ibi (Spain)

    2007-07-15

    The article describes the design and development of an electric toy vehicle powered by a fuel cell stack. The system consisted of a 150 W PEMFC stack powered by hydrogen/air, a tank of metal hydrides of AB (TiFe) alloy type with a capacity of 300 standard litres, for storing hydrogen, and an electronic power device based on electrolytic capacitors, to supply peak power demands during acceleration and start up of the vehicle. The air supply was provided by a fan preceded by a filter, and in a similar manner the stack was cooled by an air ventilation system. An electrovalve was used to supply H{sub 2} in dead-ended mode. All the components were integrated in the vehicle, and the prototype was tested in real working conditions, in a test bench and by children. (author)

  5. Piezoelectric stack actuator parameter extraction with hysteresis compensation

    DEFF Research Database (Denmark)

    Zsurzsan, Tiberiu-Gabriel; Mangeot, Charles; Andersen, Michael A. E.

    2014-01-01

    The Piezoelectric Actuator Drive (PAD) is a type of rotary motor that transforms the linear motion of piezoelectric stack actuators into a precise rotational motion. The very high stiffness of the actuators employed make this type of motor suited for open-loop control, but the inherent hysteresis...... exhibited by piezoelectric ceramics causes losses. Therefore, this paper presents a straightforward method to measure piezoelectric stack actuator equiv- alent parameters that includes nonlinearities. By folding the nonlinearities into a newly-defined cou- pling coefficient, the inherent hysteretic behavior...... of piezoelectric stack actuators can be greatly reduced through precompensation. Experimental results show a fitting accuracy of 98.8 % between the model and measurements and a peak absolute error reduction by a factor of 10 compared to the manufacturer- provided parameter. This method improves both the static...

  6. Stacking and discontinuous buffers in capillary zone electrophoresis.

    Science.gov (United States)

    Shihabi, Z K

    2000-08-01

    Discontinuous buffers for capillary zone electrophoresis (CZE) can be used under less rigid conditions compared to those for isotachophoresis for stacking. They can be prepared simply by modifying the sample itself, either by addition of small inorganic ions, low conductivity diluents, or both, and also by adjusting its pH, meanwhile injecting a large volume on the capillary. Zwitterionic and organic-based buffers such as triethanolamine and tris(hydroxymethyl)aminomethane (Tris) are well suited for stacking due to their low conductivity, provided the buffer is discontinuous as demonstrated here. A simple mechanism based on discontinuous buffers is described to explain many of the observed stacking types in CZE, pointing out the many similarities to transient isotachophoresis.

  7. Salt Concentration Differences Alter Membrane Resistance in Reverse Electrodialysis Stacks

    KAUST Repository

    Geise, Geoffrey M.

    2014-01-14

    Membrane ionic resistance is usually measured by immersing the membrane in a salt solution at a single, fixed concentration. While salt concentration is known to affect membrane resistance when the same concentration is used on both sides of the membrane, little is known about membrane resistance when the membrane is placed between solutions of different concentrations, such as in a reverse electrodialysis (RED) stack. Ionic resistance measurements obtained using Selemion CMV and AMV that separated sodium chloride and ammonium bicarbonate solutions of different concentrations were greater than those measured using only the high-concentration solution. Measured RED stack resistances showed good agreement with resistances calculated using an equivalent series resistance model, where the membranes accounted for 46% of the total stack resistance. The high area resistance of the membranes separating different salt concentration solutions has implications for modeling and optimizing membranes used in RED systems.

  8. Continued SOFC cell and stack technology and improved production methods

    Energy Technology Data Exchange (ETDEWEB)

    Wandel, M.; Brodersen, K.; Phair, J. (and others)

    2009-05-15

    Within this project significant results are obtained on a number of very diverse areas ranging from development of cell production, metallic creep in interconnect to assembling and test of stacks with foot print larger than 500 cm2. Out of 38 milestones 28 have been fulfilled and 10 have been partly fulfilled. This project has focused on three main areas: 1) The continued cell development and optimization of manufacturing processes aiming at production of large foot-print cells, improving cell performance and development environmentally more benign production methods. 2) Stack technology - especially stacks with large foot print and improving the stack design with respect to flow geometry and gas leakages. 3) Development of stack components with emphasis on sealing (for 2G as well as 3G), interconnect (coat, architecture and creep) and test development. Production of cells with a foot print larger than 500 cm2 is very difficult due to the brittleness of the cells and great effort has been put into this topic. Eight cells were successfully produced making it possible to assemble and test a real stack thereby giving valuable results on the prospects of stacks with large foot print. However, the yield rate is very low and a significant development to increase this yield lies ahead. Several lessons were learned on the stack level regarding 'large foot print' stacks. Modelling studies showed that the width of the cell primarily is limited by production and handling of the cell whereas the length (in the flow direction) is limited by e.g. pressure drop and necessary manifolding. The optimal cell size in the flow direction was calculated to be between approx20 cm and < 30 cm. From an economical point of view the production yield is crucial and stacks with large foot print cell area are only feasible if the cell production yield is significantly enhanced. Co-casting has been pursued as a production technique due to the possibilities in large scale production

  9. Electrically Conductive and Protective Coating for Planar SOFC Stacks

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jung-Pyung; Stevenson, Jeffry W.

    2017-12-04

    Ferritic stainless steels are preferred interconnect materials for intermediate temperature SOFCs because of their resistance to oxidation, high formability and low cost. However, their protective oxide layer produces Cr-containing volatile species at SOFC operating temperatures and conditions, which can cause cathode poisoning. Electrically conducting spinel coatings have been developed to prevent cathode poisoning and to maintain an electrically conductive pathway through SOFC stacks. However, this coating is not compatible with the formation of stable, hermetic seals between the interconnect frame component and the ceramic cell. Thus, a new aluminizing process has been developed by PNNL to enable durable sealing, prevent Cr evaporation, and maintain electrical insulation between stack repeat units. Hence, two different types of coating need to have stable operation of SOFC stacks. This paper will focus on the electrically conductive coating process. Moreover, an advanced coating process, compatible with a non-electrically conductive coating will be

  10. Multipole Stack for the 800 MeV PS Booster

    CERN Multimedia

    1975-01-01

    The 800 MeV PS Booster had seen first beam in its 4 superposed rings in 1972, routine operation began in 1973. In the strive for ever higher beam intensities, the need for additional multipole lenses became evident. After detailed studies, the manufacture of 8 stacks of multipoles was launched in 1974. Each stack consists of 4 superposed multipoles and each multipole has 4 concentric shells. From the innermost to the outermost shell, Type A contains octupole, skew-octupole, sextupole, skew-sextupole. Type B contains skew-octupole, skew-sextupole, vertical dipole, horizontal dipole. Completion of installation in 1976 opened the way to higher beam intensities. M. Battiaz is seen here with a multipole stack and its many electrical connections.

  11. Site-directed mutational analysis of structural interactions of low molecule compounds binding to the N-terminal 8 kDa domain of DNA polymerase β

    International Nuclear Information System (INIS)

    Murakami, Shizuka; Kamisuki, Shinji; Takata, Kei-ichi; Kasai, Nobuyuki; Kimura, Seisuke; Mizushina, Yoshiyuki; Ohta, Keisuke; Sugawara, Fumio; Sakaguchi, Kengo

    2006-01-01

    We previously reported the mode of inhibition of DNA polymerase β (pol. β) by long chain fatty acids and a bile acid, involving binding analyses to the N-terminal 8-kDa DNA binding domain. Here we describe a site-directed mutational analysis in which the key amino acids (L11, K35, H51, K60, L77, and T79), which are direct interaction sites in the domain, were substituted with K, A, A, A, K, and A, respectively. And their pol. β interactions with a C24-long chain fatty acid, nervonic acid (NA), and a bile acid, lithocholic acid (LCA), were investigated by gel mobility shift assay and NMR spectroscopy. In the case of K35A, there was complete loss of DNA binding activity while K60A hardly has any activity. In contrast the other mutations had no appreciable effects. Thus, K35 and K60 are key amino acid sites for binding to template DNA. The DNA binding activities of L11K, H51A, and T79A as well as the wild type were inhibited by NA to the same extent. T79A demonstrated a disturbed interaction with LCA. 1 H- 15 N HSQC NMR analysis indicated that despite their many similarities, the wild-type and the mutant proteins displayed some significant chemical shift differences. Not only were the substituted amino acid residues three-dimensionally shifted, but some amino acids which are positioned far distant from the key amino acids showed a shift. These results suggest that the interaction surface was significantly distorted with the result that LCA could not bind to the domain. These findings confirm our previous biochemical and 3D structural proposals concerning inhibition by NA and LCA

  12. Compound odontoma

    Directory of Open Access Journals (Sweden)

    Monica Yadav

    2012-01-01

    Full Text Available Odontomas have been extensively reported in the dental literature, and the term refers to tumors of odontogenic origin. Though the exact etiology is still unknown, the postulated causes include: local trauma, infection, inheritance and genetic mutation. The majority of the lesions are asymptomatic; however, may be accompanied with pain and swelling as secondary complaints in some cases. Here, we report a case of a compound odontome in a 14 year old patient.

  13. Hybrid compounds of Keggin polyoxotungstate with transition metal ion as the central atom. Synthesis, structure and properties

    Science.gov (United States)

    Li, Xiao-Min; Chen, Ya-Guang; Shi, Tian

    2016-02-01

    The compounds (Hbipy)2[Co(bipy)2(H2O)4]2(CoW12O40)·2bipy·7H2O (1) and [Ni2(Hbipy)2(bipy)(H2O)4(H2W12O40)]·5H2O (2) (bipy = 4,4-bipyridine) were synthesized hydrothermally and characterized by elemental analysis, IR spectroscopy, TG analyses, solid ultraviolet diffuse spectroscopy and single crystal X-ray diffraction method. In 1 the complex ions, [Co(bipy)2(H2O)4]2+, construct a supramolecular layer through π-π stacking interaction. The heteropolyanions with central Co atom and supramolecular layers are linked by hydrogen bonds. In 2 a 2D structure is formed from metatungstate anions and binuclear Ni-bipy complexes through the coordination of metatungstate anions and bipy to Ni ions. Between the layers and bipyridine molecules are the hydrogen bond interactions. The formation of 1 and 2 shows that the solution acidity and metal ions influence greatly the structure of the compounds. Solid ultraviolet diffusion results indicate that the compounds 1 and 2 are potential semiconductor materials. In 1 and 2 there exists a weak antiferromagnetic interaction.

  14. Nuclear fuel rod with retainer for pellet stack

    International Nuclear Information System (INIS)

    Cloue, J.M.

    1986-01-01

    The rod, usable in pressurized water reactors, comprises a stack of fuel pellets and means holding the stack against an end plug of the fuel can during handling operations. These means include a radially expansive element (retainer) of which the shape is so that when it is free at ambient temperature it is gripping the inside of the casing, and a temperature sensitive spacer which contracts the retainer to release it from the casing at a temperature between the ambient and the operating temperature of a reactor [fr

  15. Implementing cloud storage with OpenStack Swift

    CERN Document Server

    Rajana, Kris; Varma, Sreedhar

    2014-01-01

    This tutorial-based book has a step-by-step approach for each topic, ensuring it is thoroughly covered and easy to follow. If you are an IT administrator who wants to enter the world of cloud storage using OpenStack Swift, then this book is ideal for you. Whether your job is to build, manage, or use OpenStack Swift, this book is an ideal way to move your career ahead. Only basic Linux and server technology skills are expected, to take advantage of this book.

  16. Exact Solutions to the Double TSP with Multiple Stacks

    DEFF Research Database (Denmark)

    Petersen, Hanne Løhmann; Archetti, Claudia; Madsen, Oli B.G.

    In the Double Travelling Salesman Problem with Multiple Stacks (DTSPMS) a set of orders is given, each one requiring transportation of one item from a customer in a pickup region to a customer in a delivery region. The vehicle available for the transportation in each region carries a container......, which is organised in rows of given length. Each row is handled independently from the others according to a LIFO stack policy. The DTSPMS consists in determining the pickup tour, the loading plan of the container and the delivery tour in such a way that the total length of the two tours is minimised...

  17. Hardware Evaluation of the Horizontal Exercise Fixture with Weight Stack

    Science.gov (United States)

    Newby, Nate; Leach, Mark; Fincke, Renita; Sharp, Carwyn

    2009-01-01

    HEF with weight stack seems to be a very sturdy and reliable exercise device that should function well in a bed rest training setting. A few improvements should be made to both the hardware and software to improve usage efficiency, but largely, this evaluation has demonstrated HEF's robustness. The hardware offers loading to muscles, bones, and joints, potentially sufficient to mitigate the loss of muscle mass and bone mineral density during long-duration bed rest campaigns. With some minor modifications, the HEF with weight stack equipment provides the best currently available means of performing squat, heel raise, prone row, bench press, and hip flexion/extension exercise in a supine orientation.

  18. Experimental 1 kW 20 cell PEFC stack

    Energy Technology Data Exchange (ETDEWEB)

    Buechi, F.N.; Marmy, C.A.; Scherer, G.G. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Ruge, M. [Swiss Federal Inst. of Technology (ETH), Zuerich (Switzerland)

    1999-08-01

    A 20-cell PEFC stack was designed and built. Resin impregnated graphite was used as bipolar plate material. The air cooling of the stack was optimized by introducing high surface structures into the open space of the cooling plates. At {eta} (H{sub 2} LHV) = 0.5 a power of 880 W was obtained under conditions of low gas-pressures of 1.15 bar{sub a}. The auxiliary power for process air supply and cooling at 880 W power is less than 7% of the power output, indicating that the described system may be operated at a high efficiency. (author) 5 figs., 2 refs.

  19. Second Generation Small Pixel Technology Using Hybrid Bond Stacking

    Science.gov (United States)

    Venezia, Vincent C.; Hsiung, Alan Chih-Wei; Yang, Wu-Zang; Zhang, Yuying; Zhao, Cheng; Lin, Zhiqiang; Grant, Lindsay A.

    2018-01-01

    In this work, OmniVision’s second generation (Gen2) of small-pixel BSI stacking technologies is reviewed. The key features of this technology are hybrid-bond stacking, deeper back-side, deep-trench isolation, new back-side composite metal-oxide grid, and improved gate oxide quality. This Gen2 technology achieves state-of-the-art low-light image-sensor performance for 1.1, 1.0, and 0.9 µm pixel products. Additional improvements on this technology include less than 100 ppm white-pixel process and a high near-infrared (NIR) QE technology. PMID:29495272

  20. Second Generation Small Pixel Technology Using Hybrid Bond Stacking

    OpenAIRE

    Vincent C. Venezia; Alan Chih-Wei Hsiung; Wu-Zang Yang; Yuying Zhang; Cheng Zhao; Zhiqiang Lin; Lindsay A. Grant

    2018-01-01

    In this work, OmniVision’s second generation (Gen2) of small-pixel BSI stacking technologies is reviewed. The key features of this technology are hybrid-bond stacking, deeper back-side, deep-trench isolation, new back-side composite metal-oxide grid, and improved gate oxide quality. This Gen2 technology achieves state-of-the-art low-light image-sensor performance for 1.1, 1.0, and 0.9 µm pixel products. Additional improvements on this technology include less than 100 ppm white-pixel process a...

  1. Second Generation Small Pixel Technology Using Hybrid Bond Stacking

    Directory of Open Access Journals (Sweden)

    Vincent C. Venezia

    2018-02-01

    Full Text Available In this work, OmniVision’s second generation (Gen2 of small-pixel BSI stacking technologies is reviewed. The key features of this technology are hybrid-bond stacking, deeper back-side, deep-trench isolation, new back-side composite metal-oxide grid, and improved gate oxide quality. This Gen2 technology achieves state-of-the-art low-light image-sensor performance for 1.1, 1.0, and 0.9 µm pixel products. Additional improvements on this technology include less than 100 ppm white-pixel process and a high near-infrared (NIR QE technology.

  2. Second Generation Small Pixel Technology Using Hybrid Bond Stacking.

    Science.gov (United States)

    Venezia, Vincent C; Hsiung, Alan Chih-Wei; Yang, Wu-Zang; Zhang, Yuying; Zhao, Cheng; Lin, Zhiqiang; Grant, Lindsay A

    2018-02-24

    In this work, OmniVision's second generation (Gen2) of small-pixel BSI stacking technologies is reviewed. The key features of this technology are hybrid-bond stacking, deeper back-side, deep-trench isolation, new back-side composite metal-oxide grid, and improved gate oxide quality. This Gen2 technology achieves state-of-the-art low-light image-sensor performance for 1.1, 1.0, and 0.9 µm pixel products. Additional improvements on this technology include less than 100 ppm white-pixel process and a high near-infrared (NIR) QE technology.

  3. Band engineering in transition metal dichalcogenides: Stacked versus lateral heterostructures

    International Nuclear Information System (INIS)

    Guo, Yuzheng; Robertson, John

    2016-01-01

    We calculate a large difference in the band alignments for transition metal dichalcogenide (TMD) heterojunctions when arranged in the stacked layer or lateral (in-plane) geometries, using direct supercell calculations. The stacked case follows the unpinned limit of the electron affinity rule, whereas the lateral geometry follows the strongly pinned limit of alignment of charge neutrality levels. TMDs therefore provide one of the few clear tests of band alignment models, whereas three-dimensional semiconductors give less stringent tests because of accidental chemical trends in their properties.

  4. Simulation of Collective Excitations in Long Josephson Junction Stacks

    Science.gov (United States)

    Rahmonov, Ilhom; Shukrinov, Yury; Atanasova, Pavlina; Zemlyanaya, Elena; Streltsova, Oksana; Zuev, Maxim; Plecenik, Andrej; Irie, Akinobu

    2018-02-01

    The phase dynamics of a stack of long Josephson junctions has been studied. Both inductive and capacitive couplings between Josephson junctions have been taken into account in the calculations. The IV-curve, the dependence on the bias current of the radiation power and dynamics of each JJs of the stack have been investigated. The coexistence of the charge traveling wave and fluxon states has been observed. This state can be considered as a new collective excitation in the system of coupled Josephson junctions. We demonstrate that the observed collective excitation leads to the decrease of radiation power from the system.

  5. Spectrally tunable linear polarization rotation using stacked metallic metamaterials

    Science.gov (United States)

    Romain, Xavier; Baida, Fadi I.; Boyer, Philippe

    2017-08-01

    We make a theoretical study of the transmission properties of a stack of metallic metamaterials and show that is able to achieve a perfect transmission selectively exhibiting broadband (Q {10}5) polarization rotation. We especially highlight how the arrangement of the stacked structure, as well as the metamaterial unit cell geometry, has a large influence on transmission in the spectral domain. For this purpose, we use an extended analytical Jones formalism that allows us to obtain a rigorous and analytical expression of the transmission. Such versatile structures could find potential applications in polarimetry or in the control of light polarization for THz waves.

  6. Impact of Alloying on Stacking Fault Energies in γ-TiAl

    Directory of Open Access Journals (Sweden)

    Phillip Dumitraschkewitz

    2017-11-01

    Full Text Available Microstructure and mechanical properties are key parameters influencing the performance of structural multi-phase alloys such as those based on intermetallic TiAl compounds. There, the main constituent, a γ -TiAl phase, is derived from a face-centered cubic structure. Consequently, the dissociation of dislocations and generation of stacking faults (SFs are important factors contributing to the overall deformation behavior, as well as mechanical properties, such as tensile/creep strength and, most importantly, fracture elongation below the brittle-to-ductile transition temperature. In this work, SFs on the { 111 plane in γ -TiAl are revisited by means of ab initio calculations, finding their energies in agreement with previous reports. Subsequently, stacking fault energies are evaluated for eight ternary additions, namely group IVB–VIB elements, together with Ti off-stoichiometry. It is found that the energies of superlattice intrinsic SFs, anti-phase boundaries (APBs, as well as complex SFs decrease by 20–40% with respect to values in stoichiometric γ -TiAl once an alloying element X is present in the fault plane having thus a composition of Ti-50Al-12.5X. In addition, Mo, Ti and V stabilize the APB on the (111 plane, which is intrinsically unstable at 0 K in stoichiometric γ -TiAl.

  7. From the components to the stack. Developing and designing 5kW HT-PEFC stacks; Von der Komponente zum Stack. Entwicklung und Auslegung von HT-PEFC-Stacks der 5 kW-Klasse

    Energy Technology Data Exchange (ETDEWEB)

    Bendzulla, Anne

    2010-12-22

    The aim of the present project is to develop a stack design for a 5-kW HTPEFC system. First, the state of the art of potential materials and process designs will be discussed for each component. Then, using this as a basis, three potential stack designs with typical attributes will be developed and assessed in terms of practicality with the aid of a specially derived evaluation method. Two stack designs classified as promising will be discussed in detail, constructed and then characterized using short stack tests. Comparing the stack designs reveals that both designs are fundamentally suitable for application in a HT-PEFC system with on-board supply. However, some of the performance data differ significantly for the two stack designs. The preferred stack design for application in a HT-PEFC system is characterized by robust operating behaviour and reproducible high-level performance data. Moreover, in compact constructions (120 W/l at 60 W/kg), the stack design allows flexible cooling with thermal oil or air, which can be adapted to suit specific applications. Furthermore, a defined temperature gradient can be set during operation, allowing the CO tolerance to be increased by up to 10 mV. The short stack design developed within the scope of the present work therefore represents an ideal basis for developing a 5-kW HT-PEFC system. Topics for further research activities include improving the performance by reducing weight and/or volume, as well as optimizing the heat management. The results achieved within the framework of this work clearly show that HTPEFC stacks have the potential to play a decisive role in increasing efficiency in the future, particularly when combined with an on-board supply system. (orig.) [German] Ziel der vorliegenden Arbeit ist die Entwicklung eines Stackkonzeptes fuer ein 5 kW-HT-PEFC System. Dazu wird zunaechst fuer jede Komponente der Stand der Technik moeglicher Materialien und Prozesskonzepte diskutiert. Darauf aufbauend werden drei

  8. Electronic Energy-Level Structures, Optical Line Strengths, and Correlation Crystal-Field Interactions in NEODYMIUM(3+) and ERBIUM(3+) Crystalline Compounds.

    Science.gov (United States)

    Quagliano, John Romolo

    Energy-level state structures of Nd^ {3+} (4f^3) and Er^{3+} (4f^ {11}) electronic configurations were analyzed in a total of 13 distinct chemical systems. The 13 systems included seven crystalline hosts that contain Nd ^{3+} ions (four garnets, one nonahydrate, one hexachloride, and one hexabromide), and six that contain Er^{3+} ions (three garnets, one oxalate-bioxalate, one hexachloride, and one hexabromide). Single crystal absorption spectra (polarized and unpolarized) and optical intensity data have been acquired for neat (rm Nd(H_2O)_9) (CF _3rm SO_3)_3 at cryogenic temperatures over the UV to near-IR energy range. Single crystal polarized orthoaxial absorption, excitation, and emission experiments were performed on Er^{3+}-doped CsCdBr _3. Model Hamiltonians were developed and used to calculate lanthanide 4f^{rm N } electronic structures. These Hamiltonians were constructed and parametrized to represent both atomic and crystal-field interactions in various host materials. A Hamiltonian with atomic and first-order crystal-field operators gave a very good initial description of the energy-level structures, and a second-order correlation crystal-field (CCF) refinement produced excellent results for some multiplet manifolds that are not well characterized by the first -order (one-particle) crystal-field interactions alone. The ^2rm H(2)_{11/2} , ^2{F}(2)_ {5/2}, and ^2rm F(2) _{7/2} multiplet manifolds of Nd ^{3+} and the ^2rm H(2)_{9/2}, ^2H(2) _{11/2}, and ^4 rm G_{11/2} multiplet manifolds of Er^{3+} were markedly improved after a maximum of three CCF operators were added to the Hamiltonian. The studies showed that since the Nd^{3+} and Er ^{3+} ions share the same SLJ (Russell -Saunders) basis of atomic states, then their respective energy-level structures are sensitive to the same CCF operators. The magnitudes of the CCF interactions were found to be typically 10% of the first-order one-particle crystal-field interactions. The present work establishes a new

  9. Application of the perturbed angular correlation in the investigation of hyperfine interactions in compounds of hafnium, indium and cadmium with F1-, OH1- and EDTA ligands

    International Nuclear Information System (INIS)

    Amaral, Antonio Acleto

    2011-01-01

    In this study the hyperfine parameters, including the dynamical nature, Perturbed Angular Correlation (PAC) spectroscopy was used to measure the hyperfine parameters in molecules of ligand compounds in solutions. The measurements were carried out at 295 K and 77 K using 111 In → 111 Cd, 181 Hf → 181 Ta and 111m Cd → 111 Cd, as probe nuclei. Samples were prepared by adding a small volume of radioactive solution containing the probe nuclei in aqueous solution, buffer solution and ethylenediaminetetraacetic acid (EDTA) used as a ligand with pH 4.3 which correspond to the pH of the saturated EDTA solution and in buffer solution with pH between 9 and 10. The results made possible to understand the impact of each method for PAC measurements. Finally a comparative analysis for the several methods of inserting of the probe nuclei in the sample was made, considering chemical and nuclear aspects. The lack of measurements in this kind of samples justifies the importance of the obtained results. (author)

  10. Ultrasonic Investigation of Magnetic Ordering with Higher-Order Interactions in the Cage-Structured Compound U3Pd20Si6

    International Nuclear Information System (INIS)

    Yanagisawa, Tatsuya; Hiura, Kenta; Mombetsu, Shota; Murazumi, Taro; Hidaka, Hiroyuki; Amitsuka, Hiroshi; Tateiwa, Naoyuki; Haga, Yoshinori

    2015-01-01

    The elastic properties of localized 5f-electron system U 3 Pd 20 Si 6 were studied by means of ultrasonic measurements under magnetic fields. We have measured elastic constants C 11 , (C 11 -C 12 )/2, C 44 and C L110 = C B + (C 11 -C 12 )/6 + C 44 in order to check a possible contribution of electric quadrupoles on the magnetically ordered phases of this compound for Γ 1 ⊕ Γ 3 , Γ 3 , Γ 5 and Γ 1 ⊕ Γ 3 ⊕ Γ 5 symmetries elastic response, respectively. We discovered that an elastic anomaly, which is accompanied by ultrasonic attenuation maximum of Γ 5 - symmetry mode, at around T * ∼ 16 K in zero magnetic field and shifts to lower temperatures with increasing magnetic fields. Since the T * seems to be continuously connected to the lower boundary of a 'spin-flop' region in the magnetic field-temperature phase diagram of U 3 Pd 20 Si 6 , we conclude that a fluctuation of the spin-system of the 8c-site ion exists even just below T N and couples to elastic wave via magneto-elastic coupling with Γ 5 -symmetry quadrupoles of U's 5f electron or local charge distributions of the guest U ion

  11. Effects of anisotropic interaction-induced properties of hydrogen-rare gas compounds on rototranslational Raman scattering spectra: Comprehensive theoretical and numerical analysis.

    Science.gov (United States)

    Głaz, Waldemar; Bancewicz, Tadeusz; Godet, Jean-Luc; Gustafsson, Magnus; Haskopoulos, Anastasios; Maroulis, George

    2016-07-21

    A comprehensive study is presented of many aspects of the depolarized anisotropic collision induced (CI) component of light scattered by weakly bound compounds composed of a dihydrogen molecule and a rare gas (Rg) atom, H2-Rg. The work continues a series of earlier projects marking the revival of interest in linear light scattering following the development of new highly advanced tools of quantum chemistry and other theoretical, computational, and experimental means of spectral analyses. Sophisticated ab initio computing procedures are applied in order to obtain the anisotropic polarizability component's dependence on the H2-Rg geometry. These data are then used to evaluate the CI spectral lines for all types of Rg atoms ranging from He to Xe (Rn excluded). Evolution of the properties of CI spectra with growing polarizability/masses of the complexes studied is observed. Special attention is given to the heaviest, Kr and Xe based, scatterers. The influence of specific factors shaping the spectral lines (e.g., bound and metastable contribution, potential anisotropy) is discussed. Also the share of pressure broadened allowed rotational transitions in the overall spectral profile is taken into account and the extent to which it is separable from the pure CI contribution is discussed. We finish with a brief comparison between the obtained results and available experimental data.

  12. Preparation and Eh-pH diagrams of Fe(II)-Fe(III) green rust compounds; hyperfine interaction characteristics and stoichiometry of hydroxy-chloride, -sulphate and -carbonate

    International Nuclear Information System (INIS)

    Genin, J.-M.R.; Refait, Ph.; Simon, L.; Drissi, S.H.

    1998-01-01

    Fe(II)-Fe(III) hydroxy-chloride, -sulphate and -carbonate were prepared by oxidation of a ferrous hydroxide precipitate in anion-containing aqueous solutions. The compounds are characterized by monitoring the redox potential E h and the pH of stochiometric suspension vs time with the appropriate concentration ratios. X-ray diffraction allows us to characterize the crystal structure by distinguishing 'green rust one' (GR1) from 'green rust two' (GR2). Since green rusts (GRs) are of a pyroaurite-sjoegrenite-like structure, i.e., consisting of intercalated foreign anions and water molecules in the interlayers between the brucite-like layers of Fe(OH) 2 , their chemical formulae can be determined from the Moessbauer spectra. Three quadrupole doublets are observed: D 1 and D 2 correspond to a ferrous state with isomershift IS of about 1.27 mm s -1 and quadrupole splittings QS of about 2.85 and 2.60 mm s -1 , respectively, whereas D 3 corresponds to a ferric state with IS and QS of about 0.4 mm s -1 . The hyperfine parameters of these doublets are similar from one green rust to another but their intensity ratios vary considerably. Finally, E h and pH equilibrium diagrams of the Fe species in the presence of chloride, sulphate and carbonate anions contained within the water solution are drawn and the thermodynamic conditions of existence and degrees of oxidation of green rusts are discussed

  13. Synthesis and Crystal Structures of Two Novel O, N-Containing Spiro Compounds

    Directory of Open Access Journals (Sweden)

    Wulan Zeng

    2016-06-01

    Full Text Available Two novel O, N-containing spiro compounds, C16H16ClNO4 (1 and C16H16N2O6 (2, were prepared by reactions of monosubstituted benzenamine (substituent = –NO2, –Cl and 1,5-dioxaspiro[5.5]undecane-2,4-dione in ethanol solution of trimethoxymethane. Their structures were characterized by elemental analysis, IR, UV-Vis and single-crystal X-ray diffraction. Compound 1 is triclinic with space group P-1 and cell constants: a = 5.9448(12, b = 9.782(2, c = 13.480(3 Å, α = 100.28(3°, β = 100.66(3°, γ = 97.83(3°, Mr = 321.75, V = 746.3(3 Å3, Z = 2, Dc = 1.432 g/cm3, F(000 = 336, μ(MoKa = 0.274 mm−1, the final R = 0.0544 and wR = 0.1538. Compound 2 is monoclinic with space group P21/c and cell constants: a = 12.472(3, b = 11.856(2, c = 10.643(2 Å, β = 99.83(3°, Mr = 332.31, V = 1550.7(5 Å3, Z = 4, Dc = 1.423 g/cm3, F(000 = 696, μ(MoKa = 0.110 mm−1, the final R = 0.0444 and wR = 0.1187. In 1, there exist some intra- and inter-molecular hydrogen bonds and C–H···π supramolecular interactions, while there are still π···π stacking interactions except for some intra- and intermolecular hydrogen bonds in 2. Two compounds both form a three-dimensional network structure via above intermolecular interactions.

  14. Analyzing the interaction of a herbal compound Andrographolide from Andrographis paniculata as a folklore against swine flu (H1N1

    Directory of Open Access Journals (Sweden)

    Chandrabhan Seniya

    2014-09-01

    Full Text Available Objective: To find new bioactive molecules for the treatment of swine flu. Methods: The present study is an attempt to elucidate inhibition potential of andrographolide and its derivatives along with an associated binding mechanism through virtual screening and molecular docking simulation studies. Results: Our findings revealed structural conformation changes in 150 loop, secondary sialic acid binding site residues of ACZ97474 {Neuraminidase (A/Blore/NIV236/2009(H1N1}. Andrographolide have been identified as the highest binging energy of -1 0.88 Kcal/mol, 3 hydrogen bond interactions (Arg152, Lys150, and Gly197, total intermolecular energy of -12.07 Kcal/mol with bioactivity value (Ki of 10.59 nmol/L, while the Food and Drug Admistraton approved drug Oseltamivir and Zanamivir have shown 2 and 4 hydrogen bond interactions with binding energies of -6.28 Kcal/mol and -7.73Kcal/mol, respectively, which is higher than andrographolide. The guanidine group of Arg152 has binding affinities to the hydrophilic nature of the inhibitors (-OH and =O groups, as identified by docking of andrographolide (CID: 5318517 on neuraminidase. Conclusions: Hence, andrographolide has the potential to inhibit neuraminidase activity of H1N1 and may be used as an alternative medicinal therapy for swine flu positive patient. With potent antiviral activity and a potentially new mechanism of action, andrographolide may warrant further evaluation as a possible therapy for influenza.

  15. Studies of the Interaction between Isoimperatorin and Human Serum Albumin by Multispectroscopic Method: Identification of Possible Binding Site of the Compound Using Esterase Activity of the Protein

    Directory of Open Access Journals (Sweden)

    Samira Ranjbar

    2013-01-01

    Full Text Available Isoimperatorin is one of the main components of Prangos ferulacea as a linear furanocoumarin and used as anti-inflammatory, analgesic, antispasmodic, and anticancer drug. Human serum albumin (HSA is a principal extracellular protein with a high concentration in blood plasma and carrier for many drugs to different molecular targets. Since the carrying of drug by HSA may affect on its structure and action, we decided to investigate the interaction between HSA and isoimperatorin using fluorescence and UV spectroscopy. Fluorescence data indicated that isoimperatorin quenches the intrinsic fluorescence of the HSA via a static mechanism and hydrophobic interaction play the major role in the drug binding. The binding average distance between isoimperatorin and Trp 214 of HSA was estimated on the basis of the theory of Förster energy transfer. Decrease of protein surface hydrophobicity (PSH was also documented upon isoimperatorin binding. Furthermore, the synchronous fluorescence spectra show that the microenvironment of the tryptophan residues does not have obvious changes. Site marker compettive and fluorescence experiments revealed that the binding of isoimperatorin to HSA occurred at or near site I. Finally, the binding details between isoimperatorin and HSA were further confirmed by molecular docking and esterase activity inhibition studies which revealed that drug was bound at subdomain IIA.

  16. Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.

    Science.gov (United States)

    Lemkul, Justin A; MacKerell, Alexander D

    2017-05-09

    Empirical force fields seek to relate the configuration of a set of atoms to its energy, thus yielding the forces governing its dynamics, using classical physics rather than more expensive quantum mechanical calculations that are computationally intractable for large systems. Most force fields used to simulate biomolecular systems use fixed atomic partial charges, neglecting the influence of electronic polarization, instead making use of a mean-field approximation that may not be transferable across environments. Recent hardware and software developments make polarizable simulations feasible, and to this end, polarizable force fields represent the next generation of molecular dynamics simulation technology. In this work, we describe the refinement of a polarizable force field for DNA based on the classical Drude oscillator model by targeting quantum mechanical interaction energies and conformational energy profiles of model compounds necessary to build a complete DNA force field. The parametrization strategy employed in the present work seeks to correct weak base stacking in A- and B-DNA and the unwinding of Z-DNA observed in the previous version of the force field, called Drude-2013. Refinement of base nonbonded terms and reparametrization of dihedral terms in the glycosidic linkage, deoxyribofuranose rings, and important backbone torsions resulted in improved agreement with quantum mechanical potential energy surfaces. Notably, we expand on previous efforts by explicitly including Z-DNA conformational energetics in the refinement.

  17. Magnetic interactions in disordered perovskite PbFe.sub.1/2./sub.Nb.sub.1/2./sub.O.sub.3./sub. and related compounds: dominance of nearest-neighbor interaction

    Czech Academy of Sciences Publication Activity Database

    Kuzian, R. O.; Kondakova, I.V.; Daré, A.-M.; Laguta, Valentyn

    2014-01-01

    Roč. 89, č. 2 (2014), "024402-1"-"024402-9" ISSN 1098-0121 R&D Projects: GA ČR GA13-11473S Institutional support: RVO:68378271 Keywords : magnetoelectric * ferroic * magnetic interaction * DFT calculation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  18. An Exact Method for the Double TSP with Multiple Stacks

    DEFF Research Database (Denmark)

    Larsen, Jesper; Lusby, Richard Martin; Ehrgott, Matthias

    The double travelling salesman problem with multiple stacks (DTSPMS) is a pickup and delivery problem in which all pickups must be completed before any deliveries can be made. The problem originates from a real-life application where a 40 foot container (configured as 3 columns of 11 rows) is used...

  19. An Exact Method for the Double TSP with Multiple Stacks

    DEFF Research Database (Denmark)

    Lusby, Richard Martin; Larsen, Jesper; Ehrgott, Matthias

    2010-01-01

    The double travelling salesman problem with multiple stacks (DTSPMS) is a pickup and delivery problem in which all pickups must be completed before any deliveries can be made. The problem originates from a real-life application where a 40 foot container (configured as 3 columns of 11 rows) is used...

  20. Hydrothermal synthesis and photoluminescent properties of stacked indium sulfide superstructures.

    Science.gov (United States)

    Xing, Yan; Zhang, Hongjie; Song, Shuyan; Feng, Jing; Lei, Yongqian; Zhao, Lijun; Li, Meiye

    2008-03-28

    Unusual hierarchical stacked superstructures of cubic beta-In2S3 were fabricated via a facile hydrothermal process in the presence of a surfactant cetyltrimethylammonium bromide CTAB; the 3D superstructures were developed by helical propagation of surface steps from microflakes of 10-20 nm thickness.

  1. Phase locked fluxon-antifluxon states in stacked Josephson junctions

    DEFF Research Database (Denmark)

    Carapella, Giovanni; Constabile, Giovanni; Petraglia, Antonio

    1996-01-01

    Measurements were made on a two-stack long Josephson junction with very similar parameters and electrical access to the thin middle electrode. Mutually phase-locked fluxon-antifluxon states were observed. The observed propagation velocity is in agreement with the theoretical prediction. The I-V c...... in the junctions coexist with fluxons. (C) 1996 American Institute of Physics....

  2. Compactifications of reductive groups as moduli stacks of bundles

    DEFF Research Database (Denmark)

    Martens, Johan; Thaddeus, Michael

    Let G be a reductive group. We introduce the moduli problem of "bundle chains" parametrizing framed principal G-bundles on chains of lines. Any fan supported in a Weyl chamber determines a stability condition on bundle chains. Its moduli stack provides an equivariant toroidal compactification of G...

  3. Stacking faults and microstructural parameters in non-mulberry silk ...

    Indian Academy of Sciences (India)

    Then the whole pattern fitting was done by introducing weight factors for the individual profiles and also taking into account the average stacking faults derived using eqs (4) and (5) in the final stage of refinement with the whole experimental diffraction data of the sample. Computational procedure is given in the flow chart ...

  4. Revisiting the Fundamentals and Capabilities of the Stack Compression Test

    DEFF Research Database (Denmark)

    Alves, L.M.; Nielsen, Chris Valentin; Martin, P.A.F.

    2011-01-01

    performance by comparing the flow curves obtained from its utilisation with those determined by means of compressive testing carried out on solid cylinder specimens of the same material. Results show that mechanical testing of materials by means of the stack compression test is capable of meeting...... the increasing demand of accurate and reliable flow curves for sheet metals....

  5. Tunable infrared plasmonic devices using graphene/insulator stacks

    Science.gov (United States)

    Yan, Hugen; Li, Xuesong; Chandra, Bhupesh; Tulevski, George; Wu, Yanqing; Freitag, Marcus; Zhu, Wenjuan; Avouris, Phaedon; Xia, Fengnian

    2012-05-01

    The collective oscillation of carriers--the plasmon--in graphene has many desirable properties, including tunability and low loss. However, in single-layer graphene, the dependence on carrier concentration of both the plasmonic resonance frequency and magnitude is relatively weak, limiting its applications in photonics. Here, we demonstrate transparent photonic devices based on graphene/insulator stacks, which are formed by depositing alternating wafer-scale graphene sheets and thin insulating layers, then patterning them together into photonic-crystal-like structures. We show experimentally that the plasmon in such stacks is unambiguously non-classical. Compared with doping in single-layer graphene, distributing carriers into multiple graphene layers effectively enhances the plasmonic resonance frequency and magnitude, which is different from the effect in a conventional semiconductor superlattice and is a direct consequence of the unique carrier density scaling law of the plasmonic resonance of Dirac fermions. Using patterned graphene/insulator stacks, we demonstrate widely tunable far-infrared notch filters with 8.2 dB rejection ratios and terahertz linear polarizers with 9.5 dB extinction ratios. An unpatterned stack consisting of five graphene layers shields 97.5% of electromagnetic radiation at frequencies below 1.2 THz. This work could lead to the development of transparent mid- and far-infrared photonic devices such as detectors, modulators and three-dimensional metamaterial systems.

  6. Stacked-Bloch-wave electron diffraction simulations using GPU acceleration

    International Nuclear Information System (INIS)

    Pennington, Robert S.; Wang, Feng; Koch, Christoph T.

    2014-01-01

    In this paper, we discuss the advantages for Bloch-wave simulations performed using graphics processing units (GPUs), based on approximating the matrix exponential directly instead of performing a matrix diagonalization. Our direct matrix-exponential algorithm yields a functionally identical electron scattering matrix to that generated with matrix diagonalization. Using the matrix-exponential scaling-and-squaring method with a Padé approximation, direct GPU-based matrix-exponential double-precision calculations are up to 20× faster than CPU-based calculations and up to approximately 70× faster than matrix diagonalization. We compare precision and runtime of scaling and squaring methods with either the Padé approximation or a Taylor expansion. We also discuss the stacked-Bloch-wave method, and show that our stacked-Bloch-wave implementation yields the same electron scattering matrix as traditional Bloch-wave matrix diagonalization. - Highlights: • Bloch-wave and stacked-Bloch-wave calculations can be accelerated with GPUs. • Direct approximation of the matrix exponential can be faster than diagonalization. • GPU-based direct approximation can be ≈70× faster than CPU diagonalization. • Larger matrices benefit more from this approach than smaller ones. • Stacked-Bloch-wave scattering results are functionally identical to diagonalization

  7. 7. Data Structures: Lists, Queues, Stacks and Arrays

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 2; Issue 6. Algorithms - Data Structures: Lists, Queues, Stacks and Arrays. R K Shyamasundar ... Author Affiliations. R K Shyamasundar1. Computer Science Group, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400 005, India ...

  8. Seismic fragility of ventilation stack of nuclear power plant

    International Nuclear Information System (INIS)

    Nefedov, S.S.; Yugai, T.Z.; Kalinkin, I.V.; Vizir, P.L.

    2003-01-01

    Fragility study of safety related elements is necessary step in seismic PSA of nuclear power plant (NPP). In present work fragility was analyzed after the example of the ventilation stack of NPP. Ventilation stack, considered in present work, is a separately erected construction with height of 100 m made of cast-in-place reinforced concrete. In accordance with IAEA terminology fragility of element is defined as conditional probability of its failure at given level of seismic loading. Failure of a ventilation stack was considered as development of the plastic hinge in some section of a shaft. Seismic ground acceleration a, which corresponds to failure, could be defined as limit seismic acceleration of ventilation stack [a]. Limit seismic acceleration [a] was considered as random value. Sources of its variation are connected with stochastic nature of factors determining it (properties of construction materials, soils etc.), and also with uncertainties of existing analytical techniques. Random value [a] was assumed to be distributed lognormally. Median m[a] and logarithmically standard deviation β of this distribution were defined by 'scaling method' developed by R.P. Kennedy et al. Using this values fragility curves were plotted for different levels of confidence probability. (author)

  9. Proposal of stack Effect technology for predicted future years

    Science.gov (United States)

    Teddy Badai Samodra, FX; Adi Indrawan, Iwan

    2017-12-01

    Recently, stack effect is a general problem solver in providing vertical ventilation for urban environmental issues. However, study on resilient technology of stack effect for future years as predicted by climate trend should be conducted. Therefore, this research proposes a design of new technology on operable and adaptable vertical ventilation to the environmental change. The research method is conducted by comprehensive simulation of Ecotect Analysis, ANSYS Fluent and Matlab. Urban environment of Surabaya, as the research location, is the representative of tropical region. The results showed that the stack effect height and area could be modified instantly adjusting the environmental condition time by time in the future years. With 1.8 m of stack width, the proposed technology could capture 40 m3 of vertical air flow which is useful for physiological cooling and its dimension could be modified depending on the environmental condition. By providing resilient technology, predictable and sustainable ventilation method is offered to anticipate an unpredicted global warming and environmental change.

  10. Multipole stack for the 4 rings of the PS Booster

    CERN Multimedia

    CERN PhotoLab

    1976-01-01

    The PS Booster (originally 800 MeV, now 1.4 GeV) saw first beam in 1972, routine operation began in 1973. The strive for ever higher intensities required the addition of multipoles. Manufacture of 8 stacks of multipoles was launched in 1974, for installation in 1976. For details, see 7511120X.

  11. Consolidation process model for film stacking glass/PPS laminates

    NARCIS (Netherlands)

    Grouve, Wouter Johannes Bernardus; Akkerman, Remko

    2010-01-01

    A model is proposed to optimise the processing parameters for the consolidation of glass/polyphenylene sulphide (PPS) laminates using a film stacking procedure. In a split approach, the heating and consolidation phase are treated separately. The heating phase is modelled using the one-dimensional

  12. 7. Data Structures: Lists, Queues, Stacks and Arrays

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 2; Issue 6. Algorithms - Data Structures: Lists, Queues, Stacks and Arrays. R K Shyamasundar. Series Article Volume 2 Issue 6 June 1997 pp 39-46. Fulltext. Click here to view fulltext PDF. Permanent link:

  13. Calculating the output distribution of stack filters that are erosion ...

    African Journals Online (AJOL)

    Two procedures to compute the output distribution ϕs of certain stack filters S (so called erosion-dilation cascades) are given. One rests on the disjunctive normal form of S and also yields the rank selection probabilities. The other is based on inclusion-exclusion and e.g. yields ϕs for some important LULU-operators S.

  14. Precise stacking and bonding technology for RDDS structure

    International Nuclear Information System (INIS)

    Higo, T; Toge, N.; Suzuki, T.

    2000-01-01

    The X-band accelerating structures called RDDS1 (Rounded Dumped Detuned Structure) for the linear collider have been developed. The main body of RDDS1 was successfully fabricated in Japan (KEK, IHI). We established basic fabrication techniques through the development of prototype structures including RDDS1. The precise stacking and bonding technologies for RDDS structure are presented in this paper. (author)

  15. Development and Applications of a Stage Stacking Procedure

    Science.gov (United States)

    Kulkarni, Sameer; Celestina, Mark L.; Adamczyk, John J.

    2012-01-01

    The preliminary design of multistage axial compressors in gas turbine engines is typically accomplished with mean-line methods. These methods, which rely on empirical correlations, estimate compressor performance well near the design point, but may become less reliable off-design. For land-based applications of gas turbine engines, off-design performance estimates are becoming increasingly important, as turbine plant operators desire peaking or load-following capabilities and hot-day operability. The current work develops a one-dimensional stage stacking procedure, including a newly defined blockage term, which is used to estimate the off-design performance and operability range of a 13-stage axial compressor used in a power generating gas turbine engine. The new blockage term is defined to give mathematical closure on static pressure, and values of blockage are shown to collapse to curves as a function of stage inlet flow coefficient and corrected shaft speed. In addition to these blockage curves, the stage stacking procedure utilizes stage characteristics of ideal work coefficient and adiabatic efficiency. These curves are constructed using flow information extracted from computational fluid dynamics (CFD) simulations of groups of stages within the compressor. Performance estimates resulting from the stage stacking procedure are shown to match the results of CFD simulations of the entire compressor to within 1.6% in overall total pressure ratio and within 0.3 points in overall adiabatic efficiency. Utility of the stage stacking procedure is demonstrated by estimation of the minimum corrected speed which allows stable operation of the compressor. Further utility of the stage stacking procedure is demonstrated with a bleed sensitivity study, which estimates a bleed schedule to expand the compressors operating range.

  16. Hydrodynamic Modelling and Experimental Analysis of FE-DMFC Stacks

    Science.gov (United States)

    Kablou, Yashar

    Direct methanol fuel cells (DMFCs) present some unique features such as having liquid fuel, quick refueling process, compact design and high energy density. These characteristics make them incredibly suitable as a promising power source for portable electronic applications, such as cell phones or laptop computers. Despite of these positive aspects, the commercial development of DMFCs has nevertheless been hindered by some important issues such as, carbon dioxide formation at the anode compartment and, methanol crossover through the membrane. Many researchers have tried to model the two-phase flow behavior inside the DMFC anode compartment using the "homogenous flow modelling" approach, which has proven to be inaccurate specially when dealing with DMFC stacks. On the other hand, several strategies to prevent methanol crossover have been suggested in the literature, including the use of a flowing electrolyte between the DMFC anode and cathode compartments. Preliminary tests on flowing electrolyte direct methanol fuel cells (FE-DMFCs) have shown promising results; however, further investigation should be carried out on the stack level. In the first part of this study, a quasi two-dimensional numerical model was developed, to predict the two-phase flow behavior within the DMFC anode compartment, both in single cell and stack levels. Various types of flow modelling approaches and void fraction correlations were utilized to estimate the pressure drop across the anode compartment. It was found that the "separated flow modelling" approach, as well as CISE correlation for void fraction (developed at the CISE labs in Milan), yield the best results. In the second part, a five-cell FE-DMFC stack unit with a parallel serpentine flow bed design and U-type manifold configuration, was developed and tested at various operating conditions. It was found that, the flowing electrolyte effectively reduced methanol crossover and, improved the stack performance.

  17. Study on the polarity, solubility, and stacking characteristics of asphaltenes

    KAUST Repository

    Zhang, Long-li

    2014-07-01

    The structure and transformation of fused aromatic ring system in asphaltenes play an important role in the character of asphaltenes, and in step affect the properties of heavy oils. Polarity, solubility and structural characteristics of asphaltenes derived from Tahe atmospheric residue (THAR) and Tuo-826 heavy crude oil (Tuo-826) were analyzed for study of their internal relationship. A fractionation method was used to separate the asphaltenes into four sub-fractions, based on their solubility in the mixed solvent, for the study of different structural and physical-chemical properties, such as polarity, solubility, morphology, stacking characteristics, and mean structural parameters. Transmission electron microscope (TEM) observation can present the intuitive morphology of asphaltene molecules, and shows that the structure of asphaltenes is in local order as well as long range disorder. The analysis results showed that n-heptane asphaltenes of THAR and Tuo-826 had larger dipole moment values, larger fused aromatic ring systems, larger mean number of stacking layers, and less interlayer spacing between stacking layers than the corresponding n-pentane asphaltenes. The sub-fractions that were inclined to precipitate from the mixture of n-heptane and tetrahydrofuran had larger polarity and less solubility. From the first sub-fraction to the fourth sub-fraction, polarity, mean stacking numbers, and average layer size from the TEM images follow a gradual decrease. The structural parameters derived from TEM images could reflect the largest fused aromatic ring system in asphaltene molecule, yet the parameters derived from 1H NMR data reflected the mean message of poly-aromatic ring systems. The structural parameters derived from TEM images were more consistent with the polarity variation of sub-fractions than those derived from 1H NMR data, which indicates that the largest fused aromatic ring system will play a more important role in the stacking characteristics of

  18. Do Stacked Species Distribution Models Reflect Altitudinal Diversity Patterns?

    Science.gov (United States)

    Mateo, Rubén G.; Felicísimo, Ángel M.; Pottier, Julien; Guisan, Antoine; Muñoz, Jesús

    2012-01-01

    The objective of this study was to evaluate the performance of stacked species distribution models in predicting the alpha and gamma species diversity patterns of two important plant clades along elevation in the Andes. We modelled the distribution of the species in the Anthurium genus (53 species) and the Bromeliaceae family (89 species) using six modelling techniques. We combined all of the predictions for the same species in ensemble models based on two different criteria: the average of the rescaled predictions by all techniques and the average of the best techniques. The rescaled predictions were then reclassified into binary predictions (presence/absence). By stacking either the original predictions or binary predictions for both ensemble procedures, we obtained four different species richness models per taxa. The gamma and alpha diversity per elevation band (500 m) was also computed. To evaluate the prediction abilities for the four predictions of species richness and gamma diversity, the models were compared with the real data along an elevation gradient that was independently compiled by specialists. Finally, we also tested whether our richness models performed better than a null model of altitudinal changes of diversity based on the literature. Stacking of the ensemble prediction of the individual species models generated richness models that proved to be well correlated with the observed alpha diversity richness patterns along elevation and with the gamma diversity derived from the literature. Overall, these models tend to overpredict species richness. The use of the ensemble predictions from the species models built with different techniques seems very promising for modelling of species assemblages. Stacking of the binary models reduced the over-prediction, although more research is needed. The randomisation test proved to be a promising method for testing the performance of the stacked models, but other implementations may still be developed. PMID

  19. Auxiliary ligands induced two new Zn(II) compounds with the structural variations from 2D layer to 3D framework: Syntheses, structures and photoluminescent properties

    Science.gov (United States)

    Yu, Yuanyuan

    2017-12-01

    Two new Zn(II) compounds, [Zn2(L)(2,2‧-bipy)2(H2O)2]n (1) and [Zn2(L)(phen)2(H2O)]n (2) (H4L = 3-(2‧,4‧-dicarboxylphenoxy)phthalic acid, 2,2‧-bipy = 2,2-bipyridine, phen = 1,10-phenanthroline), were successfully obtained via the solvothermal reactions of semi-rigid V-shaped tetracarboxylic acid together with 2,2‧-bipy or phen as the auxiliary ligand. These two compounds were structurally characterized by single crystal X-ray diffraction analyses, elemental analyses, powder X-ray diffraction and thermogravimetric analyses. Compound 1 features a 2D layered structure and these 2D layer motifs further stacked into a 3D supramolecular framework via relatively weak Van der Waals interactions. Compound 2 features a 3D framework with 4-connected mog topology. The structural difference between the two compounds indicates that the N-containing auxiliary ligands play an important role in directing the final frameworks. Moreover, the luminescent properties of these two compounds were also investigated in the solid state at ambient temperature.

  20. Analyzing the Interaction of Andrographolide and Neoandrographolide, Diterpenoid Compounds From Andrographis Paniculata (Burm.F Nees, to Cyclooxygenase-2 Enzyme by Docking Simulation

    Directory of Open Access Journals (Sweden)

    Jutti Levita

    2009-09-01

    Full Text Available Cyclooxygenase (COX, an enzyme involved in the conversion of arachidonic acid to prostaglandins, exists in two isoforms, which are COX-1 and COX-2. Despite the similarities of COX-1 and COX-2, the two isoforms show subtle differences in amino acid composition at the active sites. Since COX-1 has isoleucine, a bulkier amino acid at position 523 than COX-2’s valine, it allows COX-2 to have a larger space in its active site. Andrographolide reduces COX-2 expression induced by PAF and fMLP in HL60/neutrophils. Neoandrographolide inhibits COX-2 expression at the translational level. The purpose of this study is to examine the binding modes of andrographolide and neoandrographolide against COX-1 and COX-2 in terms of hydrogen bonds and docking energy, to understand their antiinflammatory property. The docking study indicates that both andrographolide and neoandrographolide are able to be located in the COX-2’s binding pocket but not in the COX-1’s. It confirms that COX-1’s binding pocket is smaller than COX-2’s. Based on this study, both andrographolide and neoandrographolide show selective inhibitory property to COX-2. Their selectivity are due to their specific interaction with Arg 513 in the binding pocket of COX-2, which is also shown by SC-558, a COX-2 selective inhibitor.