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Sample records for dimensional directed acyclic

  1. Directed Acyclic Graphs for Oral Disease Research.

    PubMed

    Akinkugbe, A A; Sharma, S; Ohrbach, R; Slade, G D; Poole, C

    2016-07-01

    Directed acyclic graphs (DAGs) are nonparametric graphical tools used to depict causal relations in the epidemiologic assessment of exposure-outcome associations. Although their use in dental research was first advocated in 2002, DAGs have yet to be widely adopted in this field. DAGs help identify threats to causal inference such as confounders, bias due to subject selection, and inappropriate handling of missing data. DAGs can also inform the data analysis strategy based on relations among variables depicted on it. This article uses the example of a study of temporomandibular disorders (TMDs), investigating causal effects of facial injury on subsequent risk of TMD. We illustrate how DAGs can be used to identify 1) potential confounders, 2) mediators and the consequences of attempt to estimate direct causal effects, 3) colliders and the consequences of conditioning on colliders, and 4) variables that are simultaneously mediators and confounders and the consequences of adjustment for such variables. For example, one DAG shows that statistical adjustment for the pressure pain threshold would necessarily bias the causal relation between facial injury and TMD. Finally, we discuss the usefulness of DAGs during study design, subject selection, and choosing variables to be measured in a study. PMID:27000052

  2. Analyzing microarray data with transitive directed acyclic graphs.

    PubMed

    Phan, Vinhthuy; Olusegun George, E; Tran, Quynh T; Goodwin, Shirlean; Bodreddigari, Sridevi; Sutter, Thomas R

    2009-02-01

    Post hoc assignment of patterns determined by all pairwise comparisons in microarray experiments with multiple treatments has been proven to be useful in assessing treatment effects. We propose the usage of transitive directed acyclic graphs (tDAG) as the representation of these patterns and show that such representation can be useful in clustering treatment effects, annotating existing clustering methods, and analyzing sample sizes. Advantages of this approach include: (1) unique and descriptive meaning of each cluster in terms of how genes respond to all pairs of treatments; (2) insensitivity of the observed patterns to the number of genes analyzed; and (3) a combinatorial perspective to address the sample size problem by observing the rate of contractible tDAG as the number of replicates increases. The advantages and overall utility of the method in elaborating drug structure activity relationships are exemplified in a controlled study with real and simulated data. PMID:19226664

  3. A Directed Acyclic Graph-Large Margin Distribution Machine Model for Music Symbol Classification.

    PubMed

    Wen, Cuihong; Zhang, Jing; Rebelo, Ana; Cheng, Fanyong

    2016-01-01

    Optical Music Recognition (OMR) has received increasing attention in recent years. In this paper, we propose a classifier based on a new method named Directed Acyclic Graph-Large margin Distribution Machine (DAG-LDM). The DAG-LDM is an improvement of the Large margin Distribution Machine (LDM), which is a binary classifier that optimizes the margin distribution by maximizing the margin mean and minimizing the margin variance simultaneously. We modify the LDM to the DAG-LDM to solve the multi-class music symbol classification problem. Tests are conducted on more than 10000 music symbol images, obtained from handwritten and printed images of music scores. The proposed method provides superior classification capability and achieves much higher classification accuracy than the state-of-the-art algorithms such as Support Vector Machines (SVMs) and Neural Networks (NNs). PMID:26985826

  4. A Directed Acyclic Graph-Large Margin Distribution Machine Model for Music Symbol Classification

    PubMed Central

    Wen, Cuihong; Zhang, Jing; Rebelo, Ana; Cheng, Fanyong

    2016-01-01

    Optical Music Recognition (OMR) has received increasing attention in recent years. In this paper, we propose a classifier based on a new method named Directed Acyclic Graph-Large margin Distribution Machine (DAG-LDM). The DAG-LDM is an improvement of the Large margin Distribution Machine (LDM), which is a binary classifier that optimizes the margin distribution by maximizing the margin mean and minimizing the margin variance simultaneously. We modify the LDM to the DAG-LDM to solve the multi-class music symbol classification problem. Tests are conducted on more than 10000 music symbol images, obtained from handwritten and printed images of music scores. The proposed method provides superior classification capability and achieves much higher classification accuracy than the state-of-the-art algorithms such as Support Vector Machines (SVMs) and Neural Networks (NNs). PMID:26985826

  5. Analytic Bounds on Causal Risk Differences in Directed Acyclic Graphs Involving Three Observed Binary Variables

    PubMed Central

    Kaufman, Sol; Kaufman, Jay S.; MacLehose, Richard F.

    2009-01-01

    We apply a linear programming approach which uses the causal risk difference (RDC) as the objective function and provides minimum and maximum values that RDC can achieve under any set of linear constraints on the potential response type distribution. We consider two scenarios involving binary exposure X, covariate Z and outcome Y. In the first, Z is not affected by X, and is a potential confounder of the causal effect of X on Y. In the second, Z is affected by X and intermediate in the causal pathway between X and Y. For each scenario we consider various linear constraints corresponding to the presence or absence of arcs in the associated directed acyclic graph (DAG), monotonicity assumptions, and presence or absence of additive-scale interactions. We also estimate Z-stratum-specific bounds when Z is a potential effect measure modifier and bounds for both controlled and natural direct effects when Z is affected by X. In the absence of any additional constraints deriving from background knowledge, the well-known bounds on RDc are duplicated: −Pr(Y≠X) ≤ RDC ≤ Pr(Y=X). These bounds have unit width, but can be narrowed by background knowledge-based assumptions. We provide and compare bounds and bound widths for various combinations of assumptions in the two scenarios and apply these bounds to real data from two studies. PMID:20161106

  6. Lanthanide-directed synthesis of luminescent self-assembly supramolecular structures and mechanically bonded systems from acyclic coordinating organic ligands.

    PubMed

    Barry, Dawn E; Caffrey, David F; Gunnlaugsson, Thorfinnur

    2016-06-01

    Herein some examples of the use of lanthanide ions (f-metal ions) to direct the synthesis of luminescent self-assembly systems (architectures) will be discussed. This area of lanthanide supramolecular chemistry is fast growing, thanks to the unique physical (magnetic and luminescent) and coordination properties of the lanthanides, which are often transferred to the resulting supermolecule. The emphasis herein will be on systems that are luminescent, and hence, generated by using either visibly emitting ions (such as Eu(III), Tb(III) and Sm(III)) or near infrared emitting ions (like Nd(III), Yb(III) and Er(III)), formed through the use of templating chemistry, by employing structurally simple ligands, possessing oxygen and nitrogen coordinating moieties. As the lanthanides have high coordination requirements, their use often allows for the formation of coordination compounds and supramolecular systems such as bundles, grids, helicates and interlocked molecules that are not synthetically accessible through the use of other commonly used templating ions such as transition metal ions. Hence, the use of the rare-earth metal ions can lead to the formation of unique and stable species in both solution and in the solid state, as well as functional and responsive structures. PMID:27137947

  7. Acyclic colorings of graphs with bounded degree

    NASA Astrophysics Data System (ADS)

    Fiedorowicz, Anna; Sidorowicz, Elżbieta

    2016-07-01

    A $k$-colouring (not necessarily proper) of vertices of a graph is called {\\it acyclic}, if for every pair of distinct colours $i$ and $j$ the subgraph induced by the edges whose endpoints have colours $i$ and $j$ is acyclic. In the paper we consider some generalised acyclic $k$-colourings, namely, we require that each colour class induces an acyclic or bounded degree graph. Mainly we focus on graphs with maximum degree 5. We prove that any such graph has an acyclic $5$-colouring such that each colour class induces an acyclic graph with maximum degree at most 4. We prove that the problem of deciding whether a graph $G$ has an acyclic 2-colouring in which each colour class induces a graph with maximum degree at most 3 is NP-complete, even for graphs with maximum degree 5. We also give a linear-time algorithm for an acyclic $t$-improper colouring of any graph with maximum degree $d$ assuming that the number of colors is large enough.

  8. Acyclic Lipids in Amazon Shelf Waters

    NASA Astrophysics Data System (ADS)

    Elias, V. O.; Cardoso, J. N.; Simoneit, B. R. T.

    2000-02-01

    Acyclic lipids were analysed for dissolved (<1·2 μm) and particulate (>1·2 μm) material from surface water of the Amazon continental shelf to correlate the direct inputs with diagenetic processes of the organic matter and to assess the differences in compound distribution patterns of the samples. The dissolved samples contained n -alkanes with an unusual even-to-odd carbon number predominance acyclic lipids indicates an origin from micro-organisms, probably diatoms. Although minor, a contribution of components derived from plant waxes are more abundant in the particulate phase with profiles indicating a remineralized residue. Plant waxes are effectively biodegraded in the shelf waters during downstream transport in the Amazon River. Furthermore, the Pr/Ph ratios calculated for the dissolved samples indicate that the organic matter in the surface of the highly turbid waters passed through an anaerobic stage. The differences in the acyclic hydrocarbon profiles of the dissolved and particulate phases show that organic inputs are preserved differently in smaller and larger particles.

  9. Cardioleader use in acyclic types of sports

    NASA Technical Reports Server (NTRS)

    Bondin, V. I.

    1980-01-01

    The use of the cardioleader method in regulating training loads and tests for athletes in acyclic sports was investigated. It was found that the use of this method increases the effectiveness of the training process.

  10. Direct Linear Transformation Method for Three-Dimensional Cinematography

    ERIC Educational Resources Information Center

    Shapiro, Robert

    1978-01-01

    The ability of Direct Linear Transformation Method for three-dimensional cinematography to locate points in space was shown to meet the accuracy requirements associated with research on human movement. (JD)

  11. Biodegradation of acyclic isoprenoids by Pseudomonas species.

    PubMed Central

    Cantwell, S G; Lau, E P; Watt, D S; Fall, R R

    1978-01-01

    The ability of various pseudomonads to utilize acyclic isoprenoids as a sole carbon source was investigated. Tests for utilization of acyclic isoprenols such as citronellol and geraniol were complicated by toxic effects of these alcohols, and most species tested were killed by exposure to citronellol or geraniol (0.1%, vol/vol) in liquid culture. In the case of Pseudomonas citronellolis, sensitivity to isoprenols is reduced by prior induction of the isoprenoid degradative pathway via either growth on succinate in the presence of citronellol or growth on citronellic acid. For this species, citronellic acid proved to be the best isoprenoid growth substrate tested. Geraniol utilization as a taxonomic indicator for different subgroups of pseudomonads is discussed. Only a few of the species tested were able to utilize acyclic isoprenoids. Two species which utilize C10 acyclic isoprenoids, P. aeruginosa and P. mendocina, were shown to contain the inducible enzyme geranyl-coenzyme A carboxylase, one of the unique enzymes in the isoprenol degradative pathway known to occur in P. citronellolis. Of the species which utilized geranitol, none showed definite growth on the homologous C15 and C20 isoprenols. PMID:681275

  12. Modification of DIRECT for high-dimensional design problems

    NASA Astrophysics Data System (ADS)

    Tavassoli, Arash; Haji Hajikolaei, Kambiz; Sadeqi, Soheil; Wang, G. Gary; Kjeang, Erik

    2014-06-01

    DIviding RECTangles (DIRECT), as a well-known derivative-free global optimization method, has been found to be effective and efficient for low-dimensional problems. When facing high-dimensional black-box problems, however, DIRECT's performance deteriorates. This work proposes a series of modifications to DIRECT for high-dimensional problems (dimensionality d>10). The principal idea is to increase the convergence speed by breaking its single initialization-to-convergence approach into several more intricate steps. Specifically, starting with the entire feasible area, the search domain will shrink gradually and adaptively to the region enclosing the potential optimum. Several stopping criteria have been introduced to avoid premature convergence. A diversification subroutine has also been developed to prevent the algorithm from being trapped in local minima. The proposed approach is benchmarked using nine standard high-dimensional test functions and one black-box engineering problem. All these tests show a significant efficiency improvement over the original DIRECT for high-dimensional design problems.

  13. CHARMM Additive All-Atom Force Field for Acyclic Polyalcohols, Acyclic Carbohydrates and Inositol

    PubMed Central

    Hatcher, Elizabeth; Guvench, Olgun; MacKerell, Alexander D.

    2009-01-01

    Parametrization of the additive all-atom CHARMM force field for acyclic polyalcohols, acyclic carbohydrates and inositol is conducted. Initial parameters were transferred from the alkanes and hexopyranose carbohydrates, with subsequent development and optimization of parameters unique to the molecules considered in this study. Using the model compounds acetone and acetaldehyde, nonbonded parameters for carbonyls were optimized targeting quantum mechanical interaction data for solute-water pairs and pure solvent thermodynamic data. Bond and angle parameters were adjusted by comparing optimized geometries to small molecule crystal survey data and by performing vibrational analyses on acetone, acetaldehyde and glycerol. C-C-C-C, C-C-C-O, C-C-OH and O-C-C-O torsional parameters for polyol chains were fit to quantum mechanical dihedral potential energy scans comprising over 1500 RIMP2/cc-pVTZ//MP2/6-31G(d) conformations using an automated Monte Carlo simulated annealing procedure. Comparison of computed condensed-phase data, including crystal lattice parameters and densities, NMR proton-proton couplings, densities and diffusion coefficients of aqueous solutions, to experimental data validated the optimized parameters. Parameter development for these compounds proved particularly challenging because of the flexibility of the acyclic sugars and polyalcohols as well as the intramolecular hydrogen bonding between vicinal hydroxyls for all of the compounds. The newly optimized additive CHARMM force field parameters are anticipated to be of utility for atomic level of detail simulations of acyclic polyalcohols, acyclic carbohydrates and inositol in solution. PMID:20160980

  14. Directional ocean spectra by three-dimensional displacement time series

    SciTech Connect

    Su, T.Z.

    1984-01-01

    The directionality of ocean waves is considered as the most problem area of today's wave measurement technology. In 1982 the University of Hawaii Ocean ''Engineering Department began a research project Engineering Development of a Directional Wave Spectrum Measurement System for OTEC Applications'' to address this problem. A new technology was developed in this research. This technology uses acoustic signals to determine the trajectory of a floating buoy which simulates the movement of a surface water particle. Transfer functions of the three-dimensional displacement time series are used to describe the wave kinematics. The described wave kinematics are directly applied to calculate hydrodynamic loading. Cospectra and quadrature spectra determine the directional distribution function. The resultant directional distribution function is used to predict the directional progression of ocean waves.

  15. Mueller matrix three-dimensional directional imaging of collagen fibers.

    PubMed

    Ellingsen, Pål Gunnar; Aas, Lars Martin Sandvik; Hagen, Vegard Stenhjem; Kumar, Rajesh; Lilledahl, Magnus Borstad; Kildemo, Morten

    2014-02-01

    A method for measuring three-dimensional (3-D) direction images of collagen fibers in biological tissue is presented. Images of the 3-D directions are derived from the measured transmission Mueller matrix images (MMIs), acquired at different incidence angles, by taking advantage of the form birefringence of the collagen fibers. The MMIs are decomposed using the recently developed differential decomposition, which is more suited to biological tissue samples than the common polar decomposition method. Validation of the 3-D direction images was performed by comparing them with images from second-harmonic generation microscopy. The comparison found a good agreement between the two methods. It is envisaged that 3-D directional imaging could become a useful tool for understanding the collagen framework for fibers smaller than the diffraction limit. PMID:24503637

  16. Modeling direct interband tunneling. II. Lower-dimensional structures

    SciTech Connect

    Pan, Andrew; Chui, Chi On

    2014-08-07

    We investigate the applicability of the two-band Hamiltonian and the widely used Kane analytical formula to interband tunneling along unconfined directions in nanostructures. Through comparisons with k·p and tight-binding calculations and quantum transport simulations, we find that the primary correction is the change in effective band gap. For both constant fields and realistic tunnel field-effect transistors, dimensionally consistent band gap scaling of the Kane formula allows analytical and numerical device simulations to approximate non-equilibrium Green's function current characteristics without arbitrary fitting. This allows efficient first-order calibration of semiclassical models for interband tunneling in nanodevices.

  17. N-Branched acyclic nucleoside phosphonates as monomers for the synthesis of modified oligonucleotides.

    PubMed

    Hocková, Dana; Rosenbergová, Šárka; Ménová, Petra; Páv, Ondřej; Pohl, Radek; Novák, Pavel; Rosenberg, Ivan

    2015-04-21

    Protected N-branched nucleoside phosphonates containing adenine and thymine bases were prepared as the monomers for the introduction of aza-acyclic nucleotide units into modified oligonucleotides. The phosphotriester and phosphoramidite methods were used for the incorporation of modified and natural units, respectively. The solid phase synthesis of a series of nonamers containing one central modified unit was successfully performed in both 3'→5' and 5'→3' directions. Hybridization properties of the prepared oligoribonucleotides and oligodeoxyribonucleotides were evaluated. The measurement of thermal characteristics of the complexes of modified nonamers with the complementary strand revealed a considerable destabilizing effect of the introduced units. We also examined the substrate/inhibitory properties of aza-acyclic nucleoside phosphono-diphosphate derivatives (analogues of nucleoside triphosphates) but neither inhibition of human and bacterial DNA polymerases nor polymerase-mediated incorporation of these triphosphate analogues into short DNA was observed. PMID:25766752

  18. Bioinspired one-dimensional materials for directional liquid transport.

    PubMed

    Ju, Jie; Zheng, Yongmei; Jiang, Lei

    2014-08-19

    One-dimensional materials (1D) capable of transporting liquid droplets directionally, such as spider silks and cactus spines, have recently been gathering scientists' attention due to their potential applications in microfluidics, textile dyeing, filtration, and smog removal. This remarkable property comes from the arrangement of the micro- and nanostructures on these organisms' surfaces, which have inspired chemists to develop methods to prepare surfaces with similar directional liquid transport ability. In this Account, we report our recent progress in understanding how this directional transport works, as well our advances in the design and fabrication of bioinspired 1D materials capable of transporting liquid droplets directionally. To begin, we first discuss some basic theories on droplet directional movement. Then, we discuss the mechanism of directional transport of water droplets on natural spider silks. Upon contact with water droplets, the spider silk undergoes what is known as a wet-rebuilt, which forms periodic spindle-knots and joints. We found that the resulting gradient of Laplace pressure and surface free energy between the spindle-knots and joints account for the cooperative driving forces to transport water droplets directionally. Next, we discuss the directional transport of water droplets on desert cactus. The integration of multilevel structures of the cactus and the resulting integration of multiple functions together allow the cactus spine to transport water droplets continuously from tip to base. Based on our studies of natural spider silks and cactus spines, we have prepared a series of artificial spider silks (A-SSs) and artificial cactus spines (A-CSs) with various methods. By changing the surface roughness and chemical compositions of the artificial spider silks' spindle-knots, or by introducing stimulus-responsive molecules, such as thermal-responsive and photoresponsive molecules, onto the spindle-knots, we can reversibly manipulate

  19. Direct Volume Rendering with Shading via Three-Dimensional Textures

    NASA Technical Reports Server (NTRS)

    Van Gelder, Allen; Kim, Kwansik

    1996-01-01

    A new and easy-to-implement method for direct volume rendering that uses 3D texture maps for acceleration, and incorporates directional lighting, is described. The implementation, called Voltx, produces high-quality images at nearly interactive speeds on workstations with hardware support for three-dimensional texture maps. Previously reported methods did not incorporate a light model, and did not address issues of multiple texture maps for large volumes. Our research shows that these extensions impact performance by about a factor of ten. Voltx supports orthographic, perspective, and stereo views. This paper describes the theory and implementation of this technique, and compares it to the shear-warp factorization approach. A rectilinear data set is converted into a three-dimensional texture map containing color and opacity information. Quantized normal vectors and a lookup table provide efficiency. A new tesselation of the sphere is described, which serves as the basis for normal-vector quantization. A new gradient-based shading criterion is described, in which the gradient magnitude is interpreted in the context of the field-data value and the material classification parameters, and not in isolation. In the rendering phase, the texture map is applied to a stack of parallel planes, which effectively cut the texture into many slabs. The slabs are composited to form an image.

  20. Two-dimensional tricycle arsenene with a direct band gap.

    PubMed

    Ma, ShuangYing; Zhou, Pan; Sun, L Z; Zhang, K W

    2016-03-28

    Based on a comprehensive investigation including ab initio phonon and finite-temperature molecular dynamics calculations, we find that two-dimensional tricycle-shaped arsenene (T-As) is robust and even stable under high temperature. T-As is energetically comparable to previously reported chair-shaped arsenene (C-As) and more stable than stirrup-shaped arsenene (S-As). In contrast to C-As and S-As, the monolayer T-As is a direct band gap semiconductor with an energy gap of 1.377 eV. Our results indicate that the electronic structure of T-As can be effectively modulated by stacking, strain, and patterning, which shows great potential of T-As in future nano-electronics. Moreover, by absorbing H or F atoms on the surface of T-As along a specific direction, nanoribbons with desired edge type and even width can be obtained, which is suitable for the fabrication of nano-devices. PMID:26954607

  1. Oscillatory cellular patterns in three-dimensional directional solidification

    NASA Astrophysics Data System (ADS)

    Tourret, D.; Debierre, J.-M.; Song, Y.; Mota, F. L.; Bergeon, N.; Guérin, R.; Trivedi, R.; Billia, B.; Karma, A.

    2015-10-01

    We present a phase-field study of oscillatory breathing modes observed during the solidification of three-dimensional cellular arrays in microgravity. Directional solidification experiments conducted onboard the International Space Station have allowed us to observe spatially extended homogeneous arrays of cells and dendrites while minimizing the amount of gravity-induced convection in the liquid. In situ observations of transparent alloys have revealed the existence, over a narrow range of control parameters, of oscillations in cellular arrays with a period ranging from about 25 to 125 min. Cellular patterns are spatially disordered, and the oscillations of individual cells are spatiotemporally uncorrelated at long distance. However, in regions displaying short-range spatial ordering, groups of cells can synchronize into oscillatory breathing modes. Quantitative phase-field simulations show that the oscillatory behavior of cells in this regime is linked to a stability limit of the spacing in hexagonal cellular array structures. For relatively high cellular front undercooling (i.e., low growth velocity or high thermal gradient), a gap appears in the otherwise continuous range of stable array spacings. Close to this gap, a sustained oscillatory regime appears with a period that compares quantitatively well with experiment. For control parameters where this gap exists, oscillations typically occur for spacings at the edge of the gap. However, after a change of growth conditions, oscillations can also occur for nearby values of control parameters where this gap just closes and a continuous range of spacings exists. In addition, sustained oscillations at to the opening of this stable gap exhibit a slow periodic modulation of the phase-shift among cells with a slower period of several hours. While long-range coherence of breathing modes can be achieved in simulations for a perfect spatial arrangement of cells as initial condition, global disorder is observed in both

  2. Oscillatory cellular patterns in three-dimensional directional solidification.

    PubMed

    Tourret, D; Debierre, J-M; Song, Y; Mota, F L; Bergeon, N; Guérin, R; Trivedi, R; Billia, B; Karma, A

    2015-10-01

    We present a phase-field study of oscillatory breathing modes observed during the solidification of three-dimensional cellular arrays in microgravity. Directional solidification experiments conducted onboard the International Space Station have allowed us to observe spatially extended homogeneous arrays of cells and dendrites while minimizing the amount of gravity-induced convection in the liquid. In situ observations of transparent alloys have revealed the existence, over a narrow range of control parameters, of oscillations in cellular arrays with a period ranging from about 25 to 125 min. Cellular patterns are spatially disordered, and the oscillations of individual cells are spatiotemporally uncorrelated at long distance. However, in regions displaying short-range spatial ordering, groups of cells can synchronize into oscillatory breathing modes. Quantitative phase-field simulations show that the oscillatory behavior of cells in this regime is linked to a stability limit of the spacing in hexagonal cellular array structures. For relatively high cellular front undercooling (i.e., low growth velocity or high thermal gradient), a gap appears in the otherwise continuous range of stable array spacings. Close to this gap, a sustained oscillatory regime appears with a period that compares quantitatively well with experiment. For control parameters where this gap exists, oscillations typically occur for spacings at the edge of the gap. However, after a change of growth conditions, oscillations can also occur for nearby values of control parameters where this gap just closes and a continuous range of spacings exists. In addition, sustained oscillations at to the opening of this stable gap exhibit a slow periodic modulation of the phase-shift among cells with a slower period of several hours. While long-range coherence of breathing modes can be achieved in simulations for a perfect spatial arrangement of cells as initial condition, global disorder is observed in both

  3. Oscillatory cellular patterns in three-dimensional directional solidification

    DOE PAGESBeta

    Tourret, D.; Debierre, J. -M.; Song, Y.; Mota, F. L.; Bergeon, N.; Guerin, R.; Trivedi, R.; Billia, B.; Karma, A.

    2015-09-11

    We present a phase-field study of oscillatory breathing modes observed during the solidification of three-dimensional cellular arrays in micro-gravity. Directional solidification experiments conducted onboard the International Space Station have allowed for the first time to observe spatially extended homogeneous arrays of cells and dendrites while minimizing the amount of gravity-induced convection in the liquid. In situ observations of transparent alloys have revealed the existence, over a narrow range of control parameters, of oscillations in cellular arrays with a period ranging from about 25 to 125 minutes. Cellular patterns are spatially disordered, and the oscillations of individual cells are spatiotemporally uncorrelatedmore » at long distance. However, in regions displaying short-range spatial ordering, groups of cells can synchronize into oscillatory breathing modes. Quantitative phase-field simulations show that the oscillatory behavior of cells in this regime is linked to a stability limit of the spacing in hexagonal cellular array structures. For relatively high cellular front undercooling (\\ie low growth velocity or high thermal gradient), a gap appears in the otherwise continuous range of stable array spacings. Close to this gap, a sustained oscillatory regime appears with a period that compares quantitatively well with experiment. For control parameters where this gap exist, oscillations typically occur for spacings at the edge of the gap. However, after a change of growth conditions, oscillations can also occur for nearby values of control parameters where this gap just closes and a continuous range of spacings exists. In addition, sustained oscillations at to the opening of this stable gap exhibit a slow periodic modulation of the phase-shift among cells with a slower period of several hours. While long-range coherence of breathing modes can be achieved in simulations for a perfect spatial arrangement of cells as initial condition, global

  4. Oscillatory cellular patterns in three-dimensional directional solidification

    SciTech Connect

    Tourret, D.; Debierre, J. -M.; Song, Y.; Mota, F. L.; Bergeon, N.; Guerin, R.; Trivedi, R.; Billia, B.; Karma, A.

    2015-09-11

    We present a phase-field study of oscillatory breathing modes observed during the solidification of three-dimensional cellular arrays in micro-gravity. Directional solidification experiments conducted onboard the International Space Station have allowed for the first time to observe spatially extended homogeneous arrays of cells and dendrites while minimizing the amount of gravity-induced convection in the liquid. In situ observations of transparent alloys have revealed the existence, over a narrow range of control parameters, of oscillations in cellular arrays with a period ranging from about 25 to 125 minutes. Cellular patterns are spatially disordered, and the oscillations of individual cells are spatiotemporally uncorrelated at long distance. However, in regions displaying short-range spatial ordering, groups of cells can synchronize into oscillatory breathing modes. Quantitative phase-field simulations show that the oscillatory behavior of cells in this regime is linked to a stability limit of the spacing in hexagonal cellular array structures. For relatively high cellular front undercooling (\\ie low growth velocity or high thermal gradient), a gap appears in the otherwise continuous range of stable array spacings. Close to this gap, a sustained oscillatory regime appears with a period that compares quantitatively well with experiment. For control parameters where this gap exist, oscillations typically occur for spacings at the edge of the gap. However, after a change of growth conditions, oscillations can also occur for nearby values of control parameters where this gap just closes and a continuous range of spacings exists. In addition, sustained oscillations at to the opening of this stable gap exhibit a slow periodic modulation of the phase-shift among cells with a slower period of several hours. While long-range coherence of breathing modes can be achieved in simulations for a perfect spatial arrangement of cells as initial condition, global disorder is

  5. On the acyclicity of the solution sets of operator equations

    SciTech Connect

    Gel'man, Boris D

    2010-12-07

    A parameter-dependent completely continuous map is considered. The acyclicity of the set of fixed points of this map is proved for some fixed value of the parameter under the assumption that for close values of the parameter the map has a unique fixed point. The results obtained are used to prove the acyclicity of the set of fixed points of a 'nonscattering' map, as well as to study the topological structure of the set of fixed points of an abstract Volterra map. Bibliography: 13 titles.

  6. Direct human cartilage repair using three-dimensional bioprinting technology.

    PubMed

    Cui, Xiaofeng; Breitenkamp, Kurt; Finn, M G; Lotz, Martin; D'Lima, Darryl D

    2012-06-01

    Current cartilage tissue engineering strategies cannot as yet fabricate new tissue that is indistinguishable from native cartilage with respect to zonal organization, extracellular matrix composition, and mechanical properties. Integration of implants with surrounding native tissues is crucial for long-term stability and enhanced functionality. In this study, we developed a bioprinting system with simultaneous photopolymerization capable for three-dimensional (3D) cartilage tissue engineering. Poly(ethylene glycol) dimethacrylate (PEGDMA) with human chondrocytes were printed to repair defects in osteochondral plugs (3D biopaper) in layer-by-layer assembly. Compressive modulus of printed PEGDMA was 395.73±80.40 kPa, which was close to the range of the properties of native human articular cartilage. Printed human chondrocytes maintained the initially deposited positions due to simultaneous photopolymerization of surrounded biomaterial scaffold, which is ideal in precise cell distribution for anatomic cartilage engineering. Viability of printed human chondrocytes increased 26% in simultaneous polymerization than polymerized after printing. Printed cartilage implant attached firmly with surrounding tissue and greater proteoglycan deposition was observed at the interface of implant and native cartilage in Safranin-O staining. This is consistent with the enhanced interface failure strength during the culture assessed by push-out testing. Printed cartilage in 3D biopaper had elevated glycosaminoglycan (GAG) content comparing to that without biopaper when normalized to DNA. These observations were consistent with gene expression results. This study indicates the importance of direct cartilage repair and promising anatomic cartilage engineering using 3D bioprinting technology. PMID:22394017

  7. Direct three-dimensional coherently scattered x-ray microtomography

    PubMed Central

    Cui, Congwu; Jorgensen, Steven M.; Eaker, Diane R.; Ritman, Erik L.

    2010-01-01

    Purpose: It has been shown that coherently scattered x rays can be used to discriminate and identify specific components in a mixture of low atomic weight materials. The authors demonstrated a new method of doing coherently scattered x-ray tomography with a thin sheet of x ray. Methods: A collimated x-ray fan-beam, a parallel polycapillary collimator, and a phantom consisting of several biocompatible materials of low attenuation-based contrast were used to investigate the feasibility of the method. Because of the particular experimental setup, only the phantom translation perpendicular to the x-ray beam is needed and, thus, there is no need of Radon-type tomographic reconstruction, except for the correction of the attenuation to the primary and scattered x rays, which was performed by using a conventional attenuation-based tomographic image data set. The coherent scatter image contrast changes with momentum transfer among component materials in the specimen were investigated with multiple x-ray sources with narrow bandwidth spectra generated with anode and filter combinations of Cu∕Ni (8 keV), Mo∕Zr (18 keV), and Ag∕Pd (22 keV) and at multiple scatter angles by orienting the detector and polycapillary collimator at different angles to the illuminating x ray. Results: The contrast among different materials changes with the x-ray source energy and the angle at which the image was measured. The coherent scatter profiles obtained from the coherent scatter images are consistent with the published results. Conclusions: This method can be used to directly generate the three-dimensional coherent scatter images of small animal, biopsies, or other small objects with low atomic weight biological or similar synthetic materials with low attenuation contrast. With equipment optimized, submillimeter spatial resolution may be achieved. PMID:21302788

  8. Direct Human Cartilage Repair Using Three-Dimensional Bioprinting Technology

    PubMed Central

    Cui, Xiaofeng; Breitenkamp, Kurt; Finn, M.G.; Lotz, Martin

    2012-01-01

    Current cartilage tissue engineering strategies cannot as yet fabricate new tissue that is indistinguishable from native cartilage with respect to zonal organization, extracellular matrix composition, and mechanical properties. Integration of implants with surrounding native tissues is crucial for long-term stability and enhanced functionality. In this study, we developed a bioprinting system with simultaneous photopolymerization capable for three-dimensional (3D) cartilage tissue engineering. Poly(ethylene glycol) dimethacrylate (PEGDMA) with human chondrocytes were printed to repair defects in osteochondral plugs (3D biopaper) in layer-by-layer assembly. Compressive modulus of printed PEGDMA was 395.73±80.40 kPa, which was close to the range of the properties of native human articular cartilage. Printed human chondrocytes maintained the initially deposited positions due to simultaneous photopolymerization of surrounded biomaterial scaffold, which is ideal in precise cell distribution for anatomic cartilage engineering. Viability of printed human chondrocytes increased 26% in simultaneous polymerization than polymerized after printing. Printed cartilage implant attached firmly with surrounding tissue and greater proteoglycan deposition was observed at the interface of implant and native cartilage in Safranin-O staining. This is consistent with the enhanced interface failure strength during the culture assessed by push-out testing. Printed cartilage in 3D biopaper had elevated glycosaminoglycan (GAG) content comparing to that without biopaper when normalized to DNA. These observations were consistent with gene expression results. This study indicates the importance of direct cartilage repair and promising anatomic cartilage engineering using 3D bioprinting technology. PMID:22394017

  9. Directed assembly of three-dimensional microvascular networks

    NASA Astrophysics Data System (ADS)

    Therriault, Daniel

    Three-dimensional (3-D) microvascular networks with pervasive, interconnected channels less than 300 mum in diameter may find widespread application in microfluidic devices, biotechnology, sensors, and autonomic healing materials. Although microchannel arrays are readily constructed in two-dimensions by photolithographic or soft lithographic techniques, their construction in three-dimensions remains a challenging problem. The development of a microfabrication method to build 3-D microvascular networks based on direct-write assembly is described is this thesis. The method is based on the robotic deposition of a fugitive organic ink to form a free-standing scaffold structure. Secondary infiltration of a structural resin followed by setting of the matrix and removal of the scaffold yields an embedded pervasive network of smooth cylindrical channels (˜10--500 mum) with defined connectivity. Rheological and other material properties studies of fugitive organic ink were performed in order to identify the critical characteristics required for successful deposition of 3-D scaffolds by direct-write assembly. Guided by the results of these studies, several new ink formulations were screened for improved deposition performance. The most successful of these inks (40wt% microcrystalline wax, 60wt% petroleum jelly) showed excellent deposition and had an equilibrium modulus at room temperature (G 'eq ˜ 7.70 kPa 1 Hz) nearly two orders of magnitude higher than the original ink. The optimized ink was used to successfully build thick (i.e., ˜100 layers) scaffold structures at room temperature with negligible time-dependent deformation post-deposition. Secondary infiltration of the resin was accomplished at room temperature while maintaining the scaffold architecture. The optimized ink was also successfully extruded through small micronozzles (1 mum). The construction of 3-D microvascular networks enables microfluidic devices with unparallel geometric complexity. In one example, a

  10. Recent Applications of Acyclic (Diene)iron Complexes and (Dienyl)iron Cations in Organic Synthesis

    PubMed Central

    Chaudhury, Subhabrata

    2009-01-01

    Complexation of (tricarbonyl)iron to an acyclic diene serves to protect the ligand against oxidation, reduction and cycloaddition reactions while the steric bulk of this adjunct serves to direct the approach reagents to unsaturated groups attached to the diene onto the face opposite to iron. Furthermore, the Fe(CO)3 moiety can serve to stabilize carbocation centers adjacent to the diene (i.e. pentadienyl-iron cations). Recent applications of these reactivities to the synthesis of polyene, cyclopropane, cycloheptadiene and cyclohexenone containing natural products or analogs will be presented. PMID:21709767

  11. Sensitivity and bias in the discrimination of two-dimensional and three-dimensional motion direction.

    PubMed

    Cooper, Emily A; van Ginkel, Marcus; Rokers, Bas

    2016-08-01

    Sensory systems are faced with an essentially infinite number of possible environmental events but have limited processing resources. Posed with this challenge, it makes sense to allocate these resources to prioritize the discrimination of events with the most behavioral relevance. Here, we asked if such relevance is reflected in the processing and perception of motion. We compared human performance on a rapid motion direction discrimination task, including monocular and binocular viewing. In particular, we determined sensitivity and bias for a binocular motion-in-depth (three-dimensional; 3D) stimulus and for its constituent monocular (two-dimensional; 2D) signals over a broad range of speeds. Consistent with prior work, we found that binocular 3D sensitivity was lower than monocular sensitivity for all speeds. Although overall sensitivity was worse for 3D discrimination, we found that the transformation from 2D to 3D motion processing also incorporated a pattern of potentially advantageous biases. One such bias is reflected by a criterion shift that occurs at the level of 3D motion processing and results in an increased hit rate for motion toward the head. We also observed an increase in sensitivity for 3D motion trajectories presented on crossed rather than uncrossed disparity pedestals, privileging motion trajectories closer to the observer. We used these measurements to determine the range of real-world trajectories for which rapid 3D motion discrimination is most useful. These results suggest that the neural mechanisms that underlie motion perception privilege behaviorally relevant motion and provide insights into the nature of human motion sensitivity in the real world. PMID:27537702

  12. Direct three-dimensional patterning using nanoimprint lithography

    NASA Astrophysics Data System (ADS)

    Li, Mingtao; Chen, Lei; Chou, Stephen Y.

    2001-05-01

    We demonstrated that nanoimprint lithography (NIL) can create three-dimensional patterns, sub-40 nm T-gates, and air-bridge structures, in a single step imprint in polymer and metal by lift-off. A method based on electron beam lithography and reactive ion etching was developed to fabricate NIL molds with three-dimensional protrusions. The low-cost and high-throughput nanoimprint lithography for three-dimensional nanostructures has many significant applications such as monolithic microwave integrated circuits and nanoelectromechanical system.

  13. New acyclic diterpenic acids from yacon (Smallanthus sonchifolius) leaves.

    PubMed

    Mercado, María I; Coll Aráoz, María V; Grau, Alfredo; Catalán, César A N

    2010-11-01

    Two new acyclic diterpenoids, smaditerpenic acid E (1a) and F (2a), along with nineteen melampolide-type sesquiterpene lactones, six of them not previously reported in yacon, were isolated from the methylene chloride leaf rinse extract. Their structures were elucidated from 1D and 2D NMR experiments and gas chromatography coupled to mass spectrometry. PMID:21213966

  14. New directions in science and technology: two-dimensional crystals

    NASA Astrophysics Data System (ADS)

    Castro Neto, A. H.; Novoselov, K.

    2011-08-01

    Graphene is possibly one of the largest and fastest growing fields in condensed matter research. However, graphene is only one example in a large class of two-dimensional crystals with unusual properties. In this paper we briefly review the properties of graphene and look at the exciting possibilities that lie ahead.

  15. Sandia One-Dimensional Direct and Inverse Thermal Code

    Energy Science and Technology Software Center (ESTSC)

    1995-02-27

    SODDIT is a reliable tool for solving a wide variety of one-dimensional transient heat conduction problems. Originally developed in 1972 to predict the ablation of graphite/carbon bodies reentering the earth''s atmosphere, it has since been modified by the authors to extend its capabilities well beyond its original scope.

  16. Directivity benchmarks using an automated three-dimensional scanning system

    NASA Astrophysics Data System (ADS)

    Burns, Thomas

    2005-09-01

    In clinical studies relating a patient's perception in noise, it is interesting to note that the hearing industry has used exclusively the Directivity Index as an objective performance benchmark for the hearing aid. Considering, for example, that a dipole directional pattern has the same DI as a cardioid pattern, it is reasonable to require that additional directional performance benchmarks be reported in these clinical studies, along with the room acoustics parameters related to noise/source positions and the relationship between direct and reverberant fields. The purpose of this study is to describe an automated 3-D scanning system for benchmarking directional performance, and to review the traditional repertoire of directional benchmarking that has been used in the broader engineering acoustics community; namely, the null angle, maximum response angle, random energy efficiency, front to total random energy ratio, distance factor, and omni to directional array gain. Lastly, visualization of 3-D polar responses will be explored.

  17. Highly directional thermal emission from two-dimensional silicon structures.

    PubMed

    Ribaudo, Troy; Peters, David W; Ellis, A Robert; Davids, Paul S; Shaner, Eric A

    2013-03-25

    We simulate, fabricate, and characterize near perfectly absorbing two-dimensional grating structures in the thermal infrared using heavily doped silicon (HdSi) that supports long wave infrared surface plasmon polaritons (LWIR SPP's). The devices were designed and optimized using both finite difference time domain (FDTD) and rigorous coupled wave analysis (RCWA) simulation techniques to satisfy stringent requirements for thermal management applications requiring high thermal radiation absorption over a narrow angular range and low visible radiation absorption over a broad angular range. After optimization and fabrication, characterization was performed using reflection spectroscopy and normal incidence emissivity measurements. Excellent agreement between simulation and experiment was obtained. PMID:23546065

  18. Direct force wall shear measurements in pressure-driven three-dimensional turbulent boundary layers

    NASA Technical Reports Server (NTRS)

    Mcallister, J. E.; Tennant, M. H.; Pierce, F. J.

    1982-01-01

    Unique, simultaneous direct measurements of the magnitude and direction of the local wall shear stress in a pressure-driven three-dimensional turbulent boundary layer are presented. The flow is also described with an oil streak wall flow pattern, a map of the wall shear stress-wall pressure gradient orientations, a comparison of the wall shear stress directions relative to the directions of the nearest wall velocity as measured with a typical, small boundary layer directionally sensitive claw probe, as well as limiting wall streamline directions from the oil streak patterns, and a comparison of the freestream streamlines and the wall flow streamlines. A review of corrections for direct force sensing shear meters for two-dimensional flows is presented with a brief discussion of their applicability to three-dimensional devices.

  19. Medicinal chemistry of fluorinated cyclic and acyclic nucleoside phosphonates.

    PubMed

    Baszczyňski, Ondřej; Janeba, Zlatko

    2013-11-01

    The fluorine atom plays an important role in medicinal chemistry because fluorine substitution has a strong impact on the physical, chemical, and biological properties of bioactive compounds. Such fluorine modifications have also been extensively studied among the pharmaceutically important class of nucleoside phosphonates, nucleotide analogues in which the phosphate group is replaced by the enzymatically and chemically stable phosphonate moiety. The fluorinated nucleoside phosphonates abound with antiviral, antiparasitic, and anticancer properties because they are able to act as inhibitors of important enzymes of nucleoside/nucleotide metabolism. In this paper, we review the biological properties of cyclic and acyclic nucleoside phosphonates modified by the attachment of one or more fluorine atoms to various parts of the molecule, namely to nucleobases, alkylphosphonate groups, cyclic or acyclic linkers, or to prodrug moieties. PMID:23893552

  20. Three-dimensional imaging for indirect-direct bonding.

    PubMed

    El-Timamy, Ahmed M; El-Sharaby, Fouad A; Eid, Faten H; Mostafa, Yehya A

    2016-06-01

    The aim of this article is to introduce a new concept of bracket positioning with special consideration to root axes. Cone-beam computed tomography imaging and computer-aided manufacturing were used to produce stereolithographic trays for indirect-direct bonding. PMID:27242004

  1. Photographic observation of magnetic domain structure with three-dimensional local magnetization direction

    NASA Astrophysics Data System (ADS)

    Meguro, Sakae; Akahane, Koichi; Saito, Shin

    2016-07-01

    The direction of magnetization of a magnetic material is possibly oriented three-dimensionally because of the presence of magnetic anisotropy field, self-demagnetizing field, and stray field. Therefore, the three-dimensional detection of the direction of magnetization is required. The method of magnetic domain observation by photographic imaging utilizing the Kerr effect is widely used. If the perpendicular magnetization components exist, there is a problem that obliquely incident light has superimposed longitudinal Kerr and polar Kerr effects. To perform the three-dimensional detection of magnetization direction, it is necessary to eliminate the influence of the polar Kerr effect from the Kerr effect of obliquely incident light. We report the photographic observation of the magnetic domain structure and the detection of the three-dimensional local magnetization direction using the Kerr effect, applying only an in-plane saturation magnetic field.

  2. Two-dimensional location and direction estimating method.

    PubMed

    Haga, Teruhiro; Tsukamoto, Sosuke; Hoshino, Hiroshi

    2008-01-01

    In this paper, a method of estimating both the position and the rotation angle of an object on a measurement stage was proposed. The system utilizes the radio communication technology and the directivity of an antenna. As a prototype system, a measurement stage (a circle 240mm in diameter) with 36 antennas that placed in each 10 degrees was developed. Two transmitter antennas are settled in a right angle on the stage as the target object, and the position and the rotation angle is estimated by measuring efficiency of the radio communication of each 36 antennas. The experimental result revealed that even when the estimated location is not so accurate (about a 30 mm error), the rotation angle is accurately estimated (about 2.33 degree error on average). The result suggests that the proposed method will be useful for estimating the location and the direction of an object. PMID:19162938

  3. Parallel direct numerical simulation of three-dimensional spray formation

    NASA Astrophysics Data System (ADS)

    Chergui, Jalel; Juric, Damir; Shin, Seungwon; Kahouadji, Lyes; Matar, Omar

    2015-11-01

    We present numerical results for the breakup mechanism of a liquid jet surrounded by a fast coaxial flow of air with density ratio (water/air) ~ 1000 and kinematic viscosity ratio ~ 60. We use code BLUE, a three-dimensional, two-phase, high performance, parallel numerical code based on a hybrid Front-Tracking/Level Set algorithm for Lagrangian tracking of arbitrarily deformable phase interfaces and a precise treatment of surface tension forces. The parallelization of the code is based on the technique of domain decomposition where the velocity field is solved by a parallel GMRes method for the viscous terms and the pressure by a parallel multigrid/GMRes method. Communication is handled by MPI message passing procedures. The interface method is also parallelized and defines the interface both by a discontinuous density field as well as by a triangular Lagrangian mesh and allows the interface to undergo large deformations including the rupture and/or coalescence of interfaces. EPSRC Programme Grant, MEMPHIS, EP/K0039761/1.

  4. The dimensional nature of eating pathology: Evidence from a direct comparison of categorical, dimensional, and hybrid models.

    PubMed

    Luo, Xiaochen; Donnellan, M Brent; Burt, S Alexandra; Klump, Kelly L

    2016-07-01

    Eating disorders are conceptualized as categorical rather than dimensional in the current major diagnostic system (Diagnostic and Statistical Manual of Mental Disorders; 5th ed.; American Psychiatric Association, 2013) and in many previous studies. However, previous research has not critically evaluated this assumption or tested hybrid models (e.g., modeling latent variables with both dimensional and categorical features). Accordingly, the current study directly compared categorical, dimensional, and hybrid models for eating pathology in a large, population-based sample. Participants included 3,032 female and male twins (ages 9-30 years) from the Michigan State University Twin Registry. The Minnesota Eating Behaviors Survey was used to assess disordered eating symptoms including body dissatisfaction, weight preoccupation, binge eating, and compensatory behaviors. Results showed that dimensional models best fit the data in the overall sample as well as across subgroups divided by sex and pubertal status (e.g., prepubertal vs. postpubertal). It is interesting to note that the results favored more categorical models when using a case-control subset of our sample with participants who either endorsed substantial eating pathology or no/little eating pathology. Overall, findings provide support for a dimensional conceptualization of eating pathology and underscore the importance of using community samples to capture the full range of severity of eating pathology when investigating questions about taxonomy. (PsycINFO Database Record PMID:27214062

  5. Logarithmic corrections in (4+1) -dimensional directed percolation.

    PubMed

    Grassberger, Peter

    2009-05-01

    We simulate directed site percolation on two lattices with four spatial and one timelike dimensions (simple and body-centered hypercubic in space) with the standard single cluster spreading scheme. For efficiency, the code uses the same ingredients (hashing, histogram reweighing, and improved estimators) as described by Grassberger [Phys. Rev. E 67, 036101 (2003)]. Apart from providing the most precise estimates for p_{c} on these lattices, we provide a detailed comparison with the logarithmic corrections calculated by [Janssen and Stenull [Phys. Rev. E 69, 016125 (2004)]. Fits with the leading logarithmic terms alone would give estimates of the powers of these logarithms which are too big by typically 50%. When the next-to-leading terms are included, each of the measured quantities (the average number of sites wetted at time t , their average distance from the seed, and the probability of cluster survival) can be fitted nearly perfectly. But these fits would not be mutually consistent. With a consistent set of fit parameters, one obtains still much improvement over the leading log approximation. In particular we show that there is one combination of these three observables which seems completely free of logarithmic terms. PMID:19518501

  6. Acyclic nucleoside/nucleotide analogues with an imidazole ring skeleton.

    PubMed

    Chen, H M; Hosmane, R S

    2001-08-01

    Syntheses of a few acyclic nucleoside and acyclic nucleoside phosphonate analogues containing an imidazole ring have been reported. These analogues include methyl 1-(2-hydroxyethoxymethyl)imidazole-4, 5-dicarbo-xylate (1), 4,5-dicarbamoyl-1-(2-hydroxyethoxymethyl)imidazole (2), 4,5-dicyano-1-(2-hydroxyethoxymethyl)imidazole (4), Methyl 1-(2-bromoethoxymethyl)imidazole-4,5-dicarboxylate (7), 4,5-dicyano-(2-bromoethoxymethyl)imidazole (8), and Methyl 1-(2-phosphonomethoxyethyl)imidazole (10). Also reported are a few potential prodrugs of the above compounds, including the acetyl derivatives 5 and 6 (of 1 and 4, respectively), and the diethyl phosphonate ester 9 (of 10). In addition, the corresponding benzyl-protected precursors 11 and 12 (of 1 and 4, respectively), along with their common hydrolysis product, 1-(2-benzyloxy-ethoxymethyl)-4,5-imidazoledicarboxylic acid (3), are reported. Another potential prodrug included in the list is 1-(2-acetoxyethyl)-4,5-dicyanoimidazole (15). The compounds were screened for in vitro antiviral activity against a wide variety of herpes and respiratory viruses. The most active compound was the phosphonate analogue 9 which exhibited an anti-measles virus activity with an EC50 of <2.5 microg/mL and an SI value of > 176. PMID:11554548

  7. Vinculin regulates directionality and cell polarity in two- and three-dimensional matrix and three-dimensional microtrack migration

    PubMed Central

    Rahman, Aniqua; Carey, Shawn P.; Kraning-Rush, Casey M.; Goldblatt, Zachary E.; Bordeleau, Francois; Lampi, Marsha C.; Lin, Deanna Y.; García, Andrés J.; Reinhart-King, Cynthia A.

    2016-01-01

    During metastasis, cells can use proteolytic activity to form tube-like “microtracks” within the extracellular matrix (ECM). Using these microtracks, cells can migrate unimpeded through the stroma. To investigate the molecular mechanisms of microtrack migration, we developed an in vitro three-dimensional (3D) micromolded collagen platform. When in microtracks, cells tend to migrate unidirectionally. Because focal adhesions are the primary mechanism by which cells interact with the ECM, we examined the roles of several focal adhesion molecules in driving unidirectional motion. Vinculin knockdown results in the repeated reversal of migration direction compared with control cells. Tracking the position of the Golgi centroid relative to the position of the nucleus centroid reveals that vinculin knockdown disrupts cell polarity in microtracks. Vinculin also directs migration on two-dimensional (2D) substrates and in 3D uniform collagen matrices, as indicated by reduced speed, shorter net displacement, and decreased directionality in vinculin-deficient cells. In addition, vinculin is necessary for focal adhesion kinase (FAK) activation in three dimensions, as vinculin knockdown results in reduced FAK activation in both 3D uniform collagen matrices and microtracks but not on 2D substrates, and, accordingly, FAK inhibition halts cell migration in 3D microtracks. Together these data indicate that vinculin plays a key role in polarization during migration. PMID:26960796

  8. Estimating changes in lighting direction in binocularly viewed three-dimensional scenes

    PubMed Central

    Gerhard, Holly E.; Maloney, Laurence T.

    2010-01-01

    We examine human ability to detect changes in scene lighting. Thirteen observers viewed three-dimensional rendered scenes stereoscopically. Each scene consisted of a randomly generated three-dimensional “Gaussian bump” surface rendered under a combination of collimated and diffuse light sources. During each trial, the collimated source underwent a small, quick change of position in one of four directions. The observer's task was to classify the direction of the lighting change. All observers were above chance in performing the task. We developed a model that combined two sources of information, a shape map and a shading map, to predict lighting change direction. We used this model to predict patterns of errors both across observers and across scenes differing in shape. We found that errors in estimating lighting direction were primarily the result of errors in representing surface shape. We characterized the surface features that affected performance in the classification task. PMID:21106676

  9. Acyclic CB[n]-Type Molecular Containers: Effect of Solubilizing Group on their Function as Solubilizing Excipients

    PubMed Central

    Zhang, Ben; Zavalij, Peter Y.; Isaacs, Lyle

    2014-01-01

    We report the synthesis and x-ray crystal structures of three acyclic CB[n]-type molecular containers (2a, 2h, 2f) that differ in the charge on their solubilizing groups (SO3−, OH, NH3+). The x-ray crystal structures of compounds 2h and 2f reveal a self-folding of the ArOCH2CH2X wall into the cavity driven by π–π interactions, H-bonds and ion-dipole interactions. The need to reverse this self-folding phenomenon upon guest binding decreases the affinity of 2h and 2f toward cationic guests in water relative to 2a as revealed by direct 1H NMR and UV/Vis titrations as well as UV/Vis competition experiments. We determined the pKa of 6-aminocoumarin 7 (pKa = 3.6) on its own and in the presence anionic, neutral, and cationic hosts (2a: pKa = 4.9; 2h: pKa = 4.1; 2f, pKa = 3.4) which reflect in part the relevance of direct ion-ion interactions between the arms of the host and the guest toward the recognition properties of acyclic CB[n]-type containers. Finally, we showed that the weaker binding affinities measured for neutral and positively charged hosts 2h and 2f compared to anionic 2a results in a decreased ability to act as solubilizing agents for either cationic (tamoxifen), neutral (17α–ethynylestradiol), or anionic (indomethacin) drugs in water. The results establish that acyclic CB[n] compounds that bear anionic solubilizing groups are most suitable for development as general purpose solubilizing excipients for insoluble pharmaceutical agents. PMID:24595500

  10. Amplification and directional emission of surface acoustic waves by a two-dimensional electron gas

    SciTech Connect

    Shao, Lei; Pipe, Kevin P.

    2015-01-12

    Amplification of surface acoustic waves (SAWs) by electron drift in a two-dimensional electron gas (2DEG) is analyzed analytically and confirmed experimentally. Calculations suggest that peak power gain per SAW radian occurs at a more practical carrier density for a 2DEG than for a bulk material. It is also shown that SAW emission with tunable directionality can be achieved by modulating a 2DEG's carrier density (to effect SAW generation) in the presence of an applied DC field that amplifies SAWs propagating in a particular direction while attenuating those propagating in the opposite direction.

  11. Iridium-Catalyzed Diastereoselective and Enantioselective Allylic Substitutions with Acyclic α-Alkoxy Ketones.

    PubMed

    Jiang, Xingyu; Chen, Wenyong; Hartwig, John F

    2016-05-01

    The asymmetric alkylation of acyclic ketones is a longstanding challenge in organic synthesis. Reported herein are diastereoselective and enantioselective allylic substitutions with acyclic α-alkoxy ketones catalyzed by a metallacyclic iridium complex to form products with contiguous stereogenic centers derived from the nucleophile and electrophile. These reactions occur between allyl methyl carbonates and unstabilized copper(I) enolates generated in situ from acyclic α-alkoxy ketones. The resulting products can be readily converted into enantioenriched tertiary alcohols and tetrahydrofuran derivatives without erosion of enantiomeric purity. PMID:27038004

  12. Forming Stereogenic Centers in Acyclic Systems from Alkynes.

    PubMed

    Vabre, Roxane; Island, Biana; Diehl, Claudia J; Schreiner, Peter R; Marek, Ilan

    2015-08-17

    The combined carbometalation/zinc homologation followed by reactions with α-heterosubstituted aldehydes and imines proceed through a chair-like transition structure with the substituent of the incoming aldehyde residue preferentially occupying a pseudo-axial position to avoid the two gauche interactions. The heteroatom in the axial position produces a chelated intermediate (and not a Cornforth-Evans transition structure for α-chloro aldehydes and imines) leading to a face differentiation in the allylation reaction. This method provides access to functionalized products in which three new carbon-carbon bonds and two to three stereogenic centers, including a quaternary one, were created in acyclic systems in a single-pot operation from simple alkynes. PMID:26130570

  13. Tautomerism and stereodynamics of acyclic. beta. -diketo esters

    SciTech Connect

    Romas, A.D.; Esakov, S.M.; Petrov, Al.An.; Ershov, B.A.

    1986-04-10

    The tautomeric transformations and stereodynamics of a series of ring-substituted acyclic ..beta..-diketo esters p-XC/sub 6/H/sub 4/COCH(CH/sub 3/CO)CO/sub 2/CH/sub 3/ in hexachlorobutadiene and nitrobenzene were investigated by proton and carbon magnetic resonance spectroscopy. The enolization of the compounds is accompanied by the formation of two cis-enol forms (of the three theoretically possible forms) with nonchelated benzene of methoxycarbonyl groups respectively. The form with the nonchelated methoxycarbonyl group predominates in the equilibrium on account of the smaller loss of entropy during its formation compared with the enol containing the nonchelated benzoyl group. The kinetic characteristics of the mutual transformations of the enolic forms in hexachlorobutadiene and nitrobenzene respectively were determined by integration and dynamic nuclear magnetic resonance.

  14. Direct numerical simulation of steady state, three dimensional, laminar flow around a wall mounted cube

    NASA Astrophysics Data System (ADS)

    Liakos, Anastasios; Malamataris, Nikolaos A.

    2014-05-01

    The topology and evolution of flow around a surface mounted cubical object in three dimensional channel flow is examined for low to moderate Reynolds numbers. Direct numerical simulations were performed via a home made parallel finite element code. The computational domain has been designed according to actual laboratory experiment conditions. Analysis of the results is performed using the three dimensional theory of separation. Our findings indicate that a tornado-like vortex by the side of the cube is present for all Reynolds numbers for which flow was simulated. A horseshoe vortex upstream from the cube was formed at Reynolds number approximately 1266. Pressure distributions are shown along with three dimensional images of the tornado-like vortex and the horseshoe vortex at selected Reynolds numbers. Finally, and in accordance to previous work, our results indicate that the upper limit for the Reynolds number for which steady state results are physically realizable is roughly 2000.

  15. Direct method for the design of optimal three-dimensional aerodynamic shapes

    NASA Astrophysics Data System (ADS)

    Isakova, N. P.; Kraiko, A. A.; P'yankov, K. S.

    2012-11-01

    A direct optimization method for a broad class of three-dimensional aerodynamic shapes based on the approximation of the desired geometry by Bernstein-Bézier surfaces is developed. The high efficiency of the method is demonstrated by applying it to the design of an optimal supersonic section of an axisymmetric maximum-thrust de Laval nozzle. The method is also tested as applied to the design of a three-dimensional supersonic nozzle section in a dense multi-nozzle setup. In addition to three-dimensional supersonic nozzle sections with a circular throat, nozzles with a varying throat shape are considered. The results suggest that the method can be applied to various problems of 3D shape optimization.

  16. Direct design of aspherical lenses for extended non-Lambertian sources in two-dimensional geometry

    PubMed Central

    Wu, Rengmao; Hua, Hong; Benítez, Pablo; Miñano, Juan C.

    2016-01-01

    Illumination design for extended sources is very important for practical applications. The existing direct methods that are all developed for extended Lambertian sources are not applicable to extended non-Lambertian sources whose luminance is a function of position and direction. What we present in this Letter is to our knowledge the first direct method for extended non-Lambertian sources. In this method, the edge rays and the interior rays are both used, and the output intensity at a given direction is calculated to be the integral of the luminance function of all the outgoing rays at this direction. No cumbersome iterative illuminance compensation is needed. Two examples are presented to demonstrate the elegance of this method in prescribed intensity design for extended non-Lambertian sources in two-dimensional geometry. PMID:26125361

  17. Multigroup Neutron/Gamma-Ray Direct Integration Transport Code System for Two-Dimensional Cylindrical Geometry.

    Energy Science and Technology Software Center (ESTSC)

    1980-10-15

    Version 00 PALLAS-2DCY-FX is a code for direct integration of the transport equation in two-dimensional (r,z) geometry. It solves the energy and angular-dependent Boltzmann transport equation with general anisotropic scattering in cylindrical geometry. Its principal applications are to neutron or gamma-ray transport problems in the forward mode. The code is particularly designed for and suited to the solution of deep penetration radiation transport problems with an external (fixed) source.

  18. A combined direct/inverse three-dimensional transonic wing design method for vector computers

    NASA Technical Reports Server (NTRS)

    Weed, R. A.; Carlson, L. A.; Anderson, W. K.

    1984-01-01

    A three-dimensional transonic-wing design algorithm for vector computers is developed, and the results of sample computations are presented graphically. The method incorporates the direct/inverse scheme of Carlson (1975), a Cartesian grid system with boundary conditions applied at a mean plane, and a potential-flow solver based on the conservative form of the full potential equation and using the ZEBRA II vectorizable solution algorithm of South et al. (1980). The accuracy and consistency of the method with regard to direct and inverse analysis and trailing-edge closure are verified in the test computations.

  19. Direct TEM observations of growth mechanisms of two-dimensional MoS2 flakes

    NASA Astrophysics Data System (ADS)

    Fei, Linfeng; Lei, Shuijin; Zhang, Wei-Bing; Lu, Wei; Lin, Ziyuan; Lam, Chi Hang; Chai, Yang; Wang, Yu

    2016-07-01

    A microscopic understanding of the growth mechanism of two-dimensional materials is of particular importance for controllable synthesis of functional nanostructures. Because of the lack of direct and insightful observations, how to control the orientation and the size of two-dimensional material grains is still under debate. Here we discern distinct formation stages for MoS2 flakes from the thermolysis of ammonium thiomolybdates using in situ transmission electron microscopy. In the initial stage (400 °C), vertically aligned MoS2 structures grow in a layer-by-layer mode. With the increasing temperature of up to 780 °C, the orientation of MoS2 structures becomes horizontal. When the growth temperature reaches 850 °C, the crystalline size of MoS2 increases by merging adjacent flakes. Our study shows direct observations of MoS2 growth as the temperature evolves, and sheds light on the controllable orientation and grain size of two-dimensional materials.

  20. A direct algorithm for solution of incompressible three-dimensional unsteady Navier-Stokes equations

    NASA Technical Reports Server (NTRS)

    Osswald, G. A.; Ghia, K. N.; Ghia, U.

    1987-01-01

    A direct, implicit, numerical solution algorithm, with second-order accuracy in space and time, is constructed for the three-dimensional unsteady incompressible Navier-Stokes equations formulated in terms of velocity and vorticity, using generalized orthogonal coordinates to achieve the accurate solution of complex viscous flow configurations. A numerically stable, efficient, direct inversion procedure is developed for the computationally intensive divergence-curl elliptic velocity problem. This overdetermined partial differential operator is first formulated as a uniquely determined, nonsingular matrix-vector problem; this aspect of the procedure is a unique feature of the present analysis. The three-dimensional vorticity-transport equation is solved by a modified factorization technique which completely eliminates the need for any block-matrix inversions and only scalar tridiagonal matrices need to be inverted. The method is applied to the test problem of the three-dimensional flow within a shear-driven cubical box. Coherent streamwise vortex structures are observed within the steady-state flow at Re = 100.

  1. Direct TEM observations of growth mechanisms of two-dimensional MoS2 flakes.

    PubMed

    Fei, Linfeng; Lei, Shuijin; Zhang, Wei-Bing; Lu, Wei; Lin, Ziyuan; Lam, Chi Hang; Chai, Yang; Wang, Yu

    2016-01-01

    A microscopic understanding of the growth mechanism of two-dimensional materials is of particular importance for controllable synthesis of functional nanostructures. Because of the lack of direct and insightful observations, how to control the orientation and the size of two-dimensional material grains is still under debate. Here we discern distinct formation stages for MoS2 flakes from the thermolysis of ammonium thiomolybdates using in situ transmission electron microscopy. In the initial stage (400 °C), vertically aligned MoS2 structures grow in a layer-by-layer mode. With the increasing temperature of up to 780 °C, the orientation of MoS2 structures becomes horizontal. When the growth temperature reaches 850 °C, the crystalline size of MoS2 increases by merging adjacent flakes. Our study shows direct observations of MoS2 growth as the temperature evolves, and sheds light on the controllable orientation and grain size of two-dimensional materials. PMID:27412892

  2. Direct TEM observations of growth mechanisms of two-dimensional MoS2 flakes

    PubMed Central

    Fei, Linfeng; Lei, Shuijin; Zhang, Wei-Bing; Lu, Wei; Lin, Ziyuan; Lam, Chi Hang; Chai, Yang; Wang, Yu

    2016-01-01

    A microscopic understanding of the growth mechanism of two-dimensional materials is of particular importance for controllable synthesis of functional nanostructures. Because of the lack of direct and insightful observations, how to control the orientation and the size of two-dimensional material grains is still under debate. Here we discern distinct formation stages for MoS2 flakes from the thermolysis of ammonium thiomolybdates using in situ transmission electron microscopy. In the initial stage (400 °C), vertically aligned MoS2 structures grow in a layer-by-layer mode. With the increasing temperature of up to 780 °C, the orientation of MoS2 structures becomes horizontal. When the growth temperature reaches 850 °C, the crystalline size of MoS2 increases by merging adjacent flakes. Our study shows direct observations of MoS2 growth as the temperature evolves, and sheds light on the controllable orientation and grain size of two-dimensional materials. PMID:27412892

  3. Dipolar colloids in apolar media: direct microscopy of two-dimensional suspensions

    PubMed Central

    Janai, Erez; Cohen, Avner P.; Butenko, Alexander V.; Schofield, Andrew B.; Schultz, Moty; Sloutskin, Eli

    2016-01-01

    Spherical colloids, in an absence of external fields, are commonly assumed to interact solely through rotationally-invariant potentials, u(r). While the presence of permanent dipoles in aqueous suspensions has been previously suggested by some experiments, the rotational degrees of freedom of spherical colloids are typically neglected. We prove, by direct experiments, the presence of permanent dipoles in commonly used spherical poly(methyl methacrylate) (PMMA) colloids, suspended in an apolar organic medium. We study, by a combination of direct confocal microscopy, computer simulations, and theory, the structure and other thermodynamical properties of organic suspensions of colloidal spheres, confined to a two-dimensional (2D) monolayer. Our studies reveal the effects of the dipolar interactions on the structure and the osmotic pressure of these fluids. These observations have far-reaching consequences for the fundamental colloidal science, opening new directions in self-assembly of complex colloidal clusters. PMID:27346611

  4. Dimensional and material characteristics of direct deposited tool steel by CO II laser

    NASA Astrophysics Data System (ADS)

    Choi, J.

    2006-01-01

    Laser aided direct metalimaterial deposition (DMD) process builds metallic parts layer-by-layer directly from the CAD representation. In general, the process uses powdered metaUmaterials fed into a melt pool, creating fully dense parts. Success of this technology in the die and tool industry depends on the parts quality to be achieved. To obtain designed geometric dimensions and material properties, delicate control of the parameters such as laser power, spot diameter, traverse speed and powder mass flow rate is critical. In this paper, the dimensional and material characteristics of directed deposited H13 tool steel by CO II laser are investigated for the DMD process with a feedback height control system. The relationships between DMD process variables and the product characteristics are analyzed using statistical techniques. The performance of the DMD process is examined with the material characteristics of hardness, porosity, microstructure, and composition.

  5. Dipolar colloids in apolar media: direct microscopy of two-dimensional suspensions

    NASA Astrophysics Data System (ADS)

    Janai, Erez; Cohen, Avner P.; Butenko, Alexander V.; Schofield, Andrew B.; Schultz, Moty; Sloutskin, Eli

    2016-06-01

    Spherical colloids, in an absence of external fields, are commonly assumed to interact solely through rotationally-invariant potentials, u(r). While the presence of permanent dipoles in aqueous suspensions has been previously suggested by some experiments, the rotational degrees of freedom of spherical colloids are typically neglected. We prove, by direct experiments, the presence of permanent dipoles in commonly used spherical poly(methyl methacrylate) (PMMA) colloids, suspended in an apolar organic medium. We study, by a combination of direct confocal microscopy, computer simulations, and theory, the structure and other thermodynamical properties of organic suspensions of colloidal spheres, confined to a two-dimensional (2D) monolayer. Our studies reveal the effects of the dipolar interactions on the structure and the osmotic pressure of these fluids. These observations have far-reaching consequences for the fundamental colloidal science, opening new directions in self-assembly of complex colloidal clusters.

  6. Two-dimensional directional proton emission in dissociative ionization of H(2).

    PubMed

    Gong, Xiaochun; He, Peilun; Song, Qiying; Ji, Qinying; Pan, Haifeng; Ding, Jingxin; He, Feng; Zeng, Heping; Wu, Jian

    2014-11-14

    An intense phase-controlled orthogonally polarized two-color ultrashort laser pulse is used to singly ionize and dissociate H_{2} into a neutral hydrogen atom and a proton. Emission-direction and kinetic-energy dependent asymmetric dissociation of H_{2} is observed as a function of the relative phase of the orthogonally polarized two-color pulse. Significant asymmetric proton emission is measured in the direction between two polarization axes. Our numerical simulations of the time-dependent Schrödinger equation reproduce many of the observed features. The asymmetry is attributed to the coherent superposition of two-dimensional nuclear wave packets with opposite parities, which have the same energies and overlap in the same emission directions. PMID:25432039

  7. Dipolar colloids in apolar media: direct microscopy of two-dimensional suspensions.

    PubMed

    Janai, Erez; Cohen, Avner P; Butenko, Alexander V; Schofield, Andrew B; Schultz, Moty; Sloutskin, Eli

    2016-01-01

    Spherical colloids, in an absence of external fields, are commonly assumed to interact solely through rotationally-invariant potentials, u(r). While the presence of permanent dipoles in aqueous suspensions has been previously suggested by some experiments, the rotational degrees of freedom of spherical colloids are typically neglected. We prove, by direct experiments, the presence of permanent dipoles in commonly used spherical poly(methyl methacrylate) (PMMA) colloids, suspended in an apolar organic medium. We study, by a combination of direct confocal microscopy, computer simulations, and theory, the structure and other thermodynamical properties of organic suspensions of colloidal spheres, confined to a two-dimensional (2D) monolayer. Our studies reveal the effects of the dipolar interactions on the structure and the osmotic pressure of these fluids. These observations have far-reaching consequences for the fundamental colloidal science, opening new directions in self-assembly of complex colloidal clusters. PMID:27346611

  8. Visualization of Bloch surface waves and directional propagation effects on one-dimensional photonic crystal substrate.

    PubMed

    Hung, Yu-Ju; Lin, I-Sheng

    2016-07-11

    This paper reports a novel approach to the direct observation of Bloch surface waves, wherein a layer of fluorescent material is deposited directly on the surface of a semi-infinite periodic layered cell. A set of surface nano-gratings is used to couple pumping light to Bloch surface waves, while the sample is rotated until the pumping light meets the quasi-phase matching conditions. This study investigated the directional propagation of waves on stripe and circular one-dimensional grating structures by analyzing the dispersion relationship of the first two eigen modes. Our results demonstrate the efficacy of the proposed scheme in visualizing Bloch surface waves, which could be extended to a variety of other devices. PMID:27410869

  9. Three-dimensional viscous-flow computations using a directionally hybrid implicit-explicit procedure

    NASA Astrophysics Data System (ADS)

    Rizk, Y. M.; Chaussee, D. S.

    A new, directionally dependent, hybrid numerical algorithm for solving the unsteady, three-dimensional Navier-Stokes equations has been developed and used to compute the viscous supersonic flow over complex configurations, which may generate local regions of embedded subsonic or streamwise separated flows or both. The new hybrid implicit-explicit algorithm is derived from the more general implicit Beam-Warming algorithm and is particularly suitable for viscous computations in which the grid spacing in the direction outward from the body is considerably smaller than the spacing in the other two directions. Numerical results obtained from both the hybrid and implicit schemes are presented and compared on the basis of numerical stability, convergence history, and computer and core memory requirements.

  10. Two-dimensional diffusion time correlation experiment using a single direction gradient

    NASA Astrophysics Data System (ADS)

    Paulsen, Jeffrey L.; Song, Yi-Qiao

    2014-07-01

    The time dependence of the diffusion coefficient is a well known property of porous media and commonly obtained by pulsed field gradient (PFG) NMR. In practical materials, its analysis can be complicated by the presence of a broad pore size distribution and multiple fluid phases with different diffusion coefficients. We propose a two-dimensional Diffusion Time Correlation experiment (DTC), which utilizes the double-PFG with a single-direction gradient to yield a two-dimensional correlation function of the diffusion coefficient for two different diffusion times. This correlation map separates out restricted diffusion from the bulk diffusion process and we demonstrate this on a plant and bulk water sample. In its development, we show that the d-PFG should then be thought of as correlating two apparent diffusion coefficients measured by two overlapping gradient waveforms.

  11. Three-dimensional buried polymer waveguides via femtosecond direct laser writing with two-photon absorption

    NASA Astrophysics Data System (ADS)

    Nguyen, Duc H. H.; Kaleta, Kerstin; Hengsbach, Stefan; Ostrzinski, Ute; Pfeiffer, Karl; Hollenbach, Uwe; Mohr, Jürgen

    2014-05-01

    Free-form three-dimensional buried waveguides with symmetric and adjustable core dimensions have been fabricated via femtosecond direct laser writing in a novel photopolymer. High refractive index contrast of 0.013 between the core and the cladding is achieved by external diffusion of a low refractive index monomer. Measured near-field intensity at the end facet of the waveguides shows single-mode Gaussian profile. Voxel size and refractive index profile can be adjusted by adapting writing speed and laser intensity. The waveguide length is several centimeters which is suitable for on-board interconnects. This concept can be used to produce three-dimensional arrays of optical waveguide network routers, optofans, pitch converters or splitters.

  12. Structural Interactions within Lithium Salt Solvates. Acyclic Carbonates and Esters

    SciTech Connect

    Afroz, Taliman; Seo, D. M.; Han, Sang D.; Boyle, Paul D.; Henderson, Wesley A.

    2015-03-06

    Solvate crystal structures serve as useful models for the molecular-level interactions within the diverse solvates present in liquid electrolytes. Although acyclic carbonate solvents are widely used for Li-ion battery electrolytes, only three solvate crystal structures with lithium salts are known for these and related solvents. The present work, therefore, reports six lithium salt solvate structures with dimethyl and diethyl carbonate: (DMC)2:LiPF6, (DMC)1:LiCF3SO3, (DMC)1/4:LiBF4, (DEC)2:LiClO4, (DEC)1:LiClO4 and (DEC)1:LiCF3SO3 and four with the structurally related methyl and ethyl acetate: (MA)2:LiClO4, (MA)1:LiBF4, (EA)1:LiClO4 and (EA)1:LiBF4.

  13. Study on the Mechanical Properties of Three-Dimensional Directly Binding Hydroxyapatite Powder.

    PubMed

    Wang, Yanen; Li, Xinpei; Wei, Qinghua; Yang, Mingming; Wei, Shengmin

    2015-05-01

    In the three-dimensional directly fabricating hydroxyapatite composite artificial bone scaffold process, the liquid bio-binder is sprayed on the surface of bioceramics powder layer. The spraying volume and the powder size directly influence the mechanical properties of the bone scaffold and the future biodegradation performance. When the size of powder is stable, the amount of binder spraying will directly affect the mechanical strength of bone scaffold. In order to figure out the solidification mechanism of α-n-butyl cyanoacrylate (NBCA) bio-binder on the hydroxyapatite (HA) powder layer, the molecular dynamics simulation method is applied to investigate the binding energy shifts between NBCA on HA crystallographic planes. The mechanical properties can be deduced from this methodology; furthermore, the Knoop identification experiments are used to investigate the effective elastic modules of pure HA system and HA/NBCA composite model. Both the simulation and the experiments results elucidate that HA (110) has the highest binding energy with NBCA as the high planar atom density and the mechanical properties of HA/NBCA mixed system are stronger than the pure HA system on three-dimensional crystallographic; in this sense, the bone scaffolds with different strengths could be fabricated by controlling various NBCA binders liquid doses on the surface of HA powder layers during the 3D printing process. PMID:25556069

  14. Acyclic diterpene glycosides, capsianosides VIII, IX, X, XIII, XV and XVI from the fruits of Paprika Capsicum annuum L. var. grossum BAILEY and Jalapeño Capsicum annuum L. var. annuum.

    PubMed

    Lee, Jong-Hyun; Kiyota, Naoko; Ikeda, Tsuyoshi; Nohara, Toshihiro

    2006-10-01

    Paprika and Jalapeño are used as vegetables and spices. We have obtained six new acyclic diterpene glycosides, called capsianosides XIII (2), XV (3), IX (4), XVI (5), X (6) and VIII (7) together with known capsianoside II (1) from the fruits of the Paprika and Jalapeño. The structures of these compounds have been elucidated by the (1)H- and (13)C-NMR spectra and two-dimensional NMR methods. PMID:17015971

  15. Directional coding of three-dimensional movements by the vestibular semicircular canals.

    PubMed

    Rabbitt, R D

    1999-06-01

    A morphologically descriptive mathematical model was developed to study the role of labyrinthine geometry in determining sensitivities of each semicircular canal to angular motion stimuli in three-dimensional (3D) space. For this, equations describing viscous flow of the endolymph and poro-elastic response of the cupulae were coupled together and solved within a 3D reconstructed geometry. Results predict the existence of prime rotational directions about which the labyrinth resolves 3D angular movements into separate vectorial components. The components are predicted to be transmitted to the brain separately, one coded by each canal nerve. Prime directions predicted by the model are non-orthogonal, distinct from the anatomical canal planes, and distinct from the directions of rotation which elicit maximal responses of individual canal nerves. They occur for each canal along the intersection of the two null planes defined by its sister canals. Hence, rotation about a prime direction excites only one canal nerve. This contrasts the situation for rotations about anatomical canal planes, or about maximal response directions, where the model predicts activation of multiple canal nerves. The prime directions are sensitive to labyrinthine morphology and, hence, are predicted to vary between species and, to a lesser extent, vary between individual animals. Prime directions were estimated in the present work using a mathematical model, but could be determined experimentally based on the directional sensitivities of individual canal nerves. The model also predicts the existence of dominant eigenmodes and time constants associated with rotation in each of the prime directions. Results may have implications regarding the central representation of angular head movements in space as well as the neuronal mappings between three-canal afferent inputs and motor outputs. PMID:10420568

  16. Three-Dimensional Dielectrophoretic Microparticle Separator Fabricated by Ultraviolet-Assisted Direct-Write Assembly.

    PubMed

    Dalir, Hamid; Farahani, Rouhollah D; Hernandez, Lewith; Aldebert, Clément; Lévesque, Martin; Therriault, Daniel

    2016-01-01

    The design and fabrication of complex microfluidic devices is a subject of broad biomedical and technological interest. In this paper, we demonstrate the fabrication of a three-dimensional (3D) dielectrophoretic microparticle separator involving ultraviolet (UV)-assisted direct-write assembly of a UV-curable polyurethane. This approach yields a series of 3D microcoil interdigitated electrodes with defined geometry promoting particle separation through dielectrophoresis. These vertical microcoils give rise to considerable improvements in separation relative to standard planar (2D) microelectrodes. We envisage that the complex 3D electrodes will provide an enabling platform for a wide array of fluidic- and electronic-based applications. PMID:27398520

  17. Three-dimensional direct cell patterning in collagen hydrogels with near-infrared femtosecond laser

    PubMed Central

    Hribar, Kolin C.; Meggs, Kyle; Liu, Justin; Zhu, Wei; Qu, Xin; Chen, Shaochen

    2015-01-01

    We report a methodology for three-dimensional (3D) cell patterning in a hydrogel in situ. Gold nanorods within a cell-encapsulating collagen hydrogel absorb a focused near-infrared femtosecond laser beam, locally denaturing the collagen and forming channels, into which cells migrate, proliferate, and align in 3D. Importantly, pattern resolution is tunable based on writing speed and laser power, and high cell viability (>90%) is achieved using higher writing speeds and lower laser intensities. Overall, this patterning technique presents a flexible direct-write method that is applicable in tissue engineering systems where 3D alignment is critical (such as vascular, neural, cardiac, and muscle tissue). PMID:26603915

  18. Three-dimensional direct cell patterning in collagen hydrogels with near-infrared femtosecond laser

    NASA Astrophysics Data System (ADS)

    Hribar, Kolin C.; Meggs, Kyle; Liu, Justin; Zhu, Wei; Qu, Xin; Chen, Shaochen

    2015-11-01

    We report a methodology for three-dimensional (3D) cell patterning in a hydrogel in situ. Gold nanorods within a cell-encapsulating collagen hydrogel absorb a focused near-infrared femtosecond laser beam, locally denaturing the collagen and forming channels, into which cells migrate, proliferate, and align in 3D. Importantly, pattern resolution is tunable based on writing speed and laser power, and high cell viability (>90%) is achieved using higher writing speeds and lower laser intensities. Overall, this patterning technique presents a flexible direct-write method that is applicable in tissue engineering systems where 3D alignment is critical (such as vascular, neural, cardiac, and muscle tissue).

  19. Generation of two-dimensional dust vortex flows in a direct current discharge plasma

    SciTech Connect

    Uchida, Giichiro; Iizuka, Satoru; Kamimura, Tetsuo; Sato, Noriyoshi

    2009-05-15

    The two-dimensional dust vortex flows are observed in a direct current discharge plasma near the edge of a metal plate which is situated in the dust-particle levitation region. Applying negative dc potential to the metal plate, dust particles are strongly accelerated toward the metal plate edge, and two symmetric dust vortex flows are generated on both sides of the metal plate. Numerical calculation including the effect of the ion drag force well demonstrates the dust vortex formation as in the experiment. A mechanism of the dust vortex generation could be explained by effect of an asymmetry of ion drag force near the metal plate.

  20. Direct numerical simulation of steady state, three dimensional, laminar flow around a wall mounted cube

    NASA Astrophysics Data System (ADS)

    Liakos, Anastasios; Malamataris, Nikolaos

    2014-11-01

    The topology and evolution of flow around a surface mounted cubical object in three dimensional channel flow is examined for low to moderate Reynolds numbers. Direct numerical simulations were performed via a home made parallel finite element code. The computational domain has been designed according to actual laboratory experimental conditions. Analysis of the results is performed using the three dimensional theory of separation. Our findings indicate that a tornado-like vortex by the side of the cube is present for all Reynolds numbers for which flow was simulated. A horse-shoe vortex upstream from the cube was formed at Reynolds number approximately 1266. Pressure distributions are shown along with three dimensional images of the tornado-like vortex and the horseshoe vortex at selected Reynolds numbers. Finally, and in accordance to previous work, our results indicate that the upper limit for the Reynolds number for which steady state results are physically realizable is roughly 2000. Financial support of author NM from the Office of Naval Research Global (ONRG-VSP, N62909-13-1-V016) is acknowledged.

  1. The Dimensional Nature of Externalizing Behaviors in Adolescence: Evidence from a Direct Comparison of Categorical, Dimensional, and Hybrid Models

    ERIC Educational Resources Information Center

    Walton, Kate E.; Ormel, Johan; Krueger, Robert F.

    2011-01-01

    Researchers have recognized the importance of developing an accurate classification system for externalizing disorders, though much of this work has been framed by a priori preferences for categorical vs. dimensional constructs. Newer statistical technologies now allow categorical and dimensional models of psychopathology to be compared…

  2. Multi-Dimensional Effective Field Theory Analysis for Direct Detection of Dark Matter

    NASA Astrophysics Data System (ADS)

    Rogers, Hannah; SuperCDMS Collaboration

    2016-03-01

    Experiments like the Cryogenic Dark Matter Search (CDMS) attempt to find dark matter (non-luminous matter that makes up approximately 80% of the matter in the universe) through direct detection of interactions between dark matter and a target material. The Effective Field Theory (EFT) approach increases the number of considered interactions between dark matter and the normal, target matter from two (spin independent and spin dependent interactions) to eleven operators with four possible interference terms. These additional operators allow for a more complete analysis of complimentary direct dark matter searches; however, the higher dimensional likelihoods necessary to span an increase in operators requires a clever computational tool such as MultiNest. I present here analyses of published and projected data from CDMS (Si and Ge targets) and LUX (liquid Xe target) assuming operator parameter spaces ranging from 3 - 5 dimensions and folding in information on energy-dependent backgrounds when possible.

  3. Vorticity statistics in the direct cascade of two-dimensional turbulence.

    PubMed

    Falkovich, Gregory; Lebedev, Vladimir

    2011-04-01

    For the direct cascade of steady two-dimensional (2D) Navier-Stokes turbulence, we derive analytically the probability of strong vorticity fluctuations. When ϖ is the vorticity coarse-grained over a scale R, the probability density function (PDF), P(ϖ), has a universal asymptotic behavior lnP~-ϖ/ϖ(rms) at ϖ≫ϖ(rms)=[Hln(L/R)](1/3), where H is the enstrophy flux and L is the pumping length. Therefore, the PDF has exponential tails and is self-similar, that is, it can be presented as a function of a single argument, ϖ/ϖ(rms), in distinction from other known direct cascades. PMID:21599229

  4. Three-dimensional multiscale modeling of dendritic spacing selection during Al-Si directional solidification

    SciTech Connect

    Tourret, Damien; Clarke, Amy J.; Imhoff, Seth D.; Gibbs, Paul J.; Gibbs, John W.; Karma, Alain

    2015-05-27

    We present a three-dimensional extension of the multiscale dendritic needle network (DNN) model. This approach enables quantitative simulations of the unsteady dynamics of complex hierarchical networks in spatially extended dendritic arrays. We apply the model to directional solidification of Al-9.8 wt.%Si alloy and directly compare the model predictions with measurements from experiments with in situ x-ray imaging. The focus is on the dynamical selection of primary spacings over a range of growth velocities, and the influence of sample geometry on the selection of spacings. Simulation results show good agreement with experiments. The computationally efficient DNN model opens new avenues for investigating the dynamics of large dendritic arrays at scales relevant to solidification experiments and processes.

  5. Optical tuning of three-dimensional photonic crystals fabricated by femtosecond direct writing

    NASA Astrophysics Data System (ADS)

    McPhail, Dennis; Straub, Martin; Gu, Min

    2005-08-01

    In this letter, we report on an optically tunable three-dimensional photonic crystal that exhibits main gaps in the 3-4μm range. The photonic crystal is manufactured via a femtosecond direct writing technique. Optical tuning is achieved by a luminary polling technique with a low-power polarized laser beam. The refractive index variation resulting from liquid-crystal rotation causes a shift in the photonic band gap of up to 65 nm with an extinction of transmission of up to 70% in the stacking direction. Unlike other liquid-crystal tuning techniques where a pregenerated structure is infiltrated, this optical tuning method is a one-step process that allows arbitrary structures to be written into a solid liquid-crystal-polymer composite and leads to a high dielectric contrast.

  6. Three-dimensional patterning and morphological control of porous nanomaterials by gray-scale direct imprinting.

    PubMed

    Ryckman, Judson D; Jiao, Yang; Weiss, Sharon M

    2013-01-01

    We present a method for direct three-dimensional (3D) patterning of porous nanomaterials through the application of a premastered and reusable gray-scale stamp. Four classes of 3D nanostructures are demonstrated for the first time in porous media: gradient profiles, digital patterns, curves and lens shapes, and sharp features including v-grooves, nano-pits, and 'cookie-cutter' particles. Further, we demonstrate this technique enables morphological tuning and direct tailoring of nanomaterial properties, including porosity, average pore size, dielectric constant, and plasmonic response. This work opens a rapid and low-cost route for fabricating novel nanostructures and devices utilizing porous nanomaterials, with promising applications spanning diffractive and plasmonic sensing, holography, micro- and transformation optics, and drug delivery and imaging. PMID:23518798

  7. Three-dimensional multiscale modeling of dendritic spacing selection during Al-Si directional solidification

    DOE PAGESBeta

    Tourret, Damien; Clarke, Amy J.; Imhoff, Seth D.; Gibbs, Paul J.; Gibbs, John W.; Karma, Alain

    2015-05-27

    We present a three-dimensional extension of the multiscale dendritic needle network (DNN) model. This approach enables quantitative simulations of the unsteady dynamics of complex hierarchical networks in spatially extended dendritic arrays. We apply the model to directional solidification of Al-9.8 wt.%Si alloy and directly compare the model predictions with measurements from experiments with in situ x-ray imaging. The focus is on the dynamical selection of primary spacings over a range of growth velocities, and the influence of sample geometry on the selection of spacings. Simulation results show good agreement with experiments. The computationally efficient DNN model opens new avenues formore » investigating the dynamics of large dendritic arrays at scales relevant to solidification experiments and processes.« less

  8. Three-dimensional patterning and morphological control of porous nanomaterials by gray-scale direct imprinting

    PubMed Central

    Ryckman, Judson D.; Jiao, Yang; Weiss, Sharon M.

    2013-01-01

    We present a method for direct three-dimensional (3D) patterning of porous nanomaterials through the application of a premastered and reusable gray-scale stamp. Four classes of 3D nanostructures are demonstrated for the first time in porous media: gradient profiles, digital patterns, curves and lens shapes, and sharp features including v-grooves, nano-pits, and ‘cookie-cutter’ particles. Further, we demonstrate this technique enables morphological tuning and direct tailoring of nanomaterial properties, including porosity, average pore size, dielectric constant, and plasmonic response. This work opens a rapid and low-cost route for fabricating novel nanostructures and devices utilizing porous nanomaterials, with promising applications spanning diffractive and plasmonic sensing, holography, micro- and transformation optics, and drug delivery and imaging. PMID:23518798

  9. Gridding-based direct Fourier inversion of the three-dimensional ray transform.

    PubMed

    Penczek, Pawel A; Renka, Robert; Schomberg, Hermann

    2004-04-01

    We describe a fast and accurate direct Fourier method for reconstructing a function f of three variables from a number of its parallel beam projections. The main application of our method is in single particle analysis, where the goal is to reconstruct the mass density of a biological macromolecule. Typically, the number of projections is extremely large, and each projection is extremely noisy. The projection directions are random and initially unknown. However, it is possible to determine both the directions and f by an iterative procedure; during each stage of the iteration, one has to solve a reconstruction problem of the type considered here. Our reconstruction algorithm is distinguished from other direct Fourier methods by the use of gridding techniques that provide an efficient means to compute a uniformly sampled version of a function g from a nonuniformly sampled version of Fg, the Fourier transform of g, or vice versa. We apply the two-dimensional reverse gridding method to each available projection of f, the function to be reconstructed, in order to obtain Ff on a special spherical grid. Then we use the three-dimensional gridding method to reconstruct f from this sampled version of Ff. This stage requires a proper weighting of the samples of Ff to compensate for their nonuniform distribution. We use a fast method for computing appropriate weights that exploits the special properties of the spherical sampling grid for Ff and involves the computation of a Voronoi diagram on the unit sphere. We demonstrate the excellent speed and accuracy of our method by using simulated data. PMID:15078020

  10. Direct Imaging of a Two-Dimensional Silica Glass on Graphene

    NASA Astrophysics Data System (ADS)

    Huang, P. Y.; Kurasch, S.; Srivastava, A.; Skakalova, V.; Kotakoski, J.; Krasheninnikov, A. V.; Hovden, R. M.; Mao, Q.; Meyer, J. C.; Smet, J.; Muller, D. A.; Kaiser, U.

    2012-02-01

    Large-area graphene substrates [1] are a promising lab bench for synthesizing and characterizing novel low-dimensional materials such as two-dimensional (2D) glasses. Unlike 2D crystals such as graphene, 2D glasses are almost entirely unexplored--yet they have enormous applicability for understanding amorphous structures, which are difficult to probe in 3D. We report direct observations of the structure of an amorphous 2D silica supported on graphene. To our knowledge, these results represent the first discovery of an extended 2D glass. The 2D glass enables aberration-corrected scanning transmission electron microscopy and spectroscopy, producing the first atomically-resolved experimental images of a glass. The images strikingly resemble Zachariasen's seminal 1932 cartoons of a 2D continuous random network glass [2] and allow direct structural analyses not possible in 3D glassy materials. DFT calculations indicate that van der Waals interactions with graphene energetically favor the 2D structure over bulk SiO2, suggesting that graphene can be instrumental in stabilizing new 2D materials. [1] J. C. Meyer et al., Nature 454, 319--322 (2008). [2] W. H. Zachariasen, J. Am. Chem. Soc. 54, 3841--3851 (1932).

  11. Bandgaps and directional properties of two-dimensional square beam-like zigzag lattices

    SciTech Connect

    Wang, Yan-Feng; Wang, Yue-Sheng; Zhang, Chuanzeng

    2014-12-15

    In this paper we propose four kinds of two-dimensional square beam-like zigzag lattice structures and study their bandgaps and directional propagation of elastic waves. The band structures are calculated by using the finite element method. Both the in-plane and out-of-plane waves are investigated simultaneously via the three-dimensional Euler beam elements. The mechanism of the bandgap generation is analyzed by studying the vibration modes at the bandgap edges. The effects of the geometry parameters of the xy- and z-zigzag lattices on the bandgaps are investigated and discussed. Multiple complete bandgaps are found owing to the separation of the degeneracy by introducing bending arms. The bandgaps are sensitive to the geometry parameters of the periodic systems. The deformed displacement fields of the harmonic responses of a finite lattice structure subjected to harmonic loads at different positions are illustrated to show the directional wave propagation. An extension of the proposed concept to the hexagonal lattices is also presented. The research work in this paper is relevant to the practical design of cellular structures with enhanced vibro-acoustics performance.

  12. Direct and third-body mediated resonance energy transfer in dimensionally constrained nanostructures

    NASA Astrophysics Data System (ADS)

    Weeraddana, Dilusha; Premaratne, Malin; Andrews, David L.

    2015-07-01

    The process of resonance energy transfer (RET) in a nanostructure influenced by a vicinal, nonabsorbing third body is studied within the framework of molecular quantum electrodynamics. Direct RET and the influence of neighboring matter have been studied previously, mainly for molecules. However, a complete study or unified understanding of direct and indirect RET in nanostructures with different dimensionalities is still lacking. Therefore, there is a strong need for a complete theory that models RET for the cases of quantum wells, nanowires, and quantum dots. We construct a detailed picture of excitation energy transfer in nanostructures and how it is affected by another quantum object, which includes the derivation of quantum amplitudes based on second- and fourth-order time-dependent perturbation theories, and the derivation of transfer rates and distance dependencies, providing a complete picture and understanding of RET in nanostructures. The results of the derivations indicate that the dimensionality of the nanostructure determines the controllability of the RET rate. Furthermore, third-body mediation leads to a nonvanishing RET in the coupling of nanowire to nanowire and quantum dot to quantum dot.

  13. Acyclic cucurbit[n]uril molecular containers enhance the solubility and bioactivity of poorly soluble pharmaceuticals

    NASA Astrophysics Data System (ADS)

    Ma, Da; Hettiarachchi, Gaya; Nguyen, Duc; Zhang, Ben; Wittenberg, James B.; Zavalij, Peter Y.; Briken, Volker; Isaacs, Lyle

    2012-06-01

    The solubility characteristics of 40-70% of new drug candidates are so poor that they cannot be formulated on their own, so new methods for increasing drug solubility are highly prized. Here, we describe a new class of general-purpose solubilizing agents—acyclic cucurbituril-type containers—which increase the solubility of ten insoluble drugs by a factor of between 23 and 2,750 by forming container-drug complexes. The containers exhibit low in vitro toxicity in human liver, kidney and monocyte cell lines, and outbred Swiss Webster mice tolerate high doses of the container without sickness or weight loss. Paclitaxel solubilized by the acyclic cucurbituril-type containers kills cervical and ovarian cancer cells more efficiently than paclitaxel alone. The acyclic cucurbituril-type containers preferentially bind cationic and aromatic drugs, but also solubilize neutral drugs such as paclitaxel, and represent an attractive extension of cyclodextrin-based technology for drug solubilization and delivery.

  14. Direct-write Bioprinting Three-Dimensional Biohybrid Systems for Future Regenerative Therapies

    PubMed Central

    Chang, Carlos C.; Boland, Eugene D.; Williams, Stuart K.; Hoying, James B.

    2013-01-01

    Regenerative medicine seeks to repair or replace dysfunctional tissues with engineered biological or biohybrid systems. Current clinical regenerative models utilize simple uniform tissue constructs formed with cells cultured onto biocompatible scaffolds. Future regenerative therapies will require the fabrication of complex three-dimensional constructs containing multiple cell types and extracellular matrices. We believe bioprinting technologies will provide a key role in the design and construction of future engineered tissues for cell-based and regenerative therapies. This review describes the current state-of-the-art bioprinting technologies, focusing on direct-write bioprinting. We describe a number of process and device considerations for successful bioprinting of composite biohybrid constructs. In addition, we have provided baseline direct-write printing parameters for a hydrogel system (Pluronic F127) often used in cardiovascular applications. Direct-write dispensed lines (gels with viscosities ranging from 30 mPa*s to greater than 600×106 mPa*s) were measured following mechanical and pneumatic printing via three commercially available needle sizes (20ga, 25ga, and 30ga). Example patterns containing microvascular cells and isolated microvessel fragments were also bioprinted into composite 3D structures. Cells and vessel fragments remained viable and maintained in vitro behavior after incorporation into biohybrid structures. Direct-write bioprinting of biologicals provides a unique method to design and fabricate complex, multi-component 3D structures for experimental use. We hope our design insights and baseline parameter descriptions of direct-write bioprinting will provide a useful foundation for colleagues to incorporate this 3D fabrication method into future regenerative therapies. PMID:21504055

  15. Direct two-dimensional reconstruction algorithm for an inverse-geometry CT system.

    PubMed

    Baek, Jongduk; Pelc, Norbert J

    2009-02-01

    An inverse-geometry computed tomography (IGCT) system uses a large source array opposite a smaller detector array. A previously described IGCT reconstruction algorithm uses gridding, but this gridding step produces blurring in the reconstructed image. In this article, the authors describe a two-dimensional (2D) IGCT reconstruction algorithm without gridding. In the transverse direction, the raw data of the IGCT system can be viewed as being composed of many fan beams. Because the spacing between source spots is larger than the spot width, each fan beam has undersampled projection data, but the missing samples are effectively provided by other undersampled fan beam views. In the proposed method, a direct fan beam reconstruction algorithm is used to process each undersampled fan beam. Initial images with this method showed ring artifacts caused by nonuniform sampling in the radial direction as compared to an ideal fan beam. A new method for correcting this effect was developed. With this correction, high quality images were obtained. The noise performance of the proposed 2D IGCT reconstruction algorithm was investigated, and it was comparable to that of the fan beam system. A MTF study showed that the proposed method achieves better resolution than the gridding method. PMID:19291978

  16. Directional scaling symmetry of high-symmetry two-dimensional lattices.

    PubMed

    Liao, Longguang; Cao, Zexian

    2014-01-01

    Two-dimensional lattices provide the arena for many physics problems of essential importance, a scale symmetry, which rarely exists as noticed by Galileo, in such lattices can help reveal the underlying physics. Here we report the discovery and proof of directional scaling symmetry for high symmetry 2D lattices, i.e., the square lattice, the equilateral triangular lattice and thus the honeycomb lattice, with aid of the function y = arcsin(sin(2πxn)), where the parameter x is either the platinum number μ = 2 - √3 or the silver number λ = √2 - 1, which are related to the 12-fold and 8-fold quasiperiodic structures, respectively. The directions and scale factors for the symmetric scaling transformation are determined. The revealed scale symmetry may have a bearing on various physical problems modeled on 2D lattices, and the function adopted here can be used to generate quasiperiodic lattices with enumeration of lattice points. Our result is expected to initiate the search of directional scaling symmetry in more complicated geometries. PMID:25156083

  17. Directional Scaling Symmetry of High-symmetry Two-dimensional Lattices

    PubMed Central

    Liao, Longguang; Cao, Zexian

    2014-01-01

    Two-dimensional lattices provide the arena for many physics problems of essential importance, a scale symmetry, which rarely exists as noticed by Galileo, in such lattices can help reveal the underlying physics. Here we report the discovery and proof of directional scaling symmetry for high symmetry 2D lattices, i.e., the square lattice, the equilateral triangular lattice and thus the honeycomb lattice, with aid of the function y = arcsin(sin(2πxn)), where the parameter x is either the platinum number or the silver number , which are related to the 12-fold and 8-fold quasiperiodic structures, respectively. The directions and scale factors for the symmetric scaling transformation are determined. The revealed scale symmetry may have a bearing on various physical problems modeled on 2D lattices, and the function adopted here can be used to generate quasiperiodic lattices with enumeration of lattice points. Our result is expected to initiate the search of directional scaling symmetry in more complicated geometries. PMID:25156083

  18. Stereodefined acyclic trisubstituted metal enolates towards the asymmetric formation of quaternary carbon stereocentres.

    PubMed

    Minko, Yury; Marek, Ilan

    2014-10-28

    Reactions that involve metal enolate species are amongst the most versatile carbon-carbon bond forming processes available to synthetic chemists. Enolate species are involved in a multitude of powerful applications in asymmetric organic synthesis, but the generation of fully substituted enolates in a geometrically defined form is not easily achieved especially in acyclic systems. In this Feature Article we focus on the most prominent examples reported in the literature describing the formation of highly diastereo- and enantiomerically enriched quaternary stereocentres in acyclic molecules derived from stereodefined non-cyclic trisubstituted metal enolates. PMID:25054432

  19. Direct evidence for three-dimensional off-axis trapping with single Laguerre-Gaussian beam

    NASA Astrophysics Data System (ADS)

    Otsu, T.; Ando, T.; Takiguchi, Y.; Ohtake, Y.; Toyoda, H.; Itoh, H.

    2014-04-01

    Optical tweezers are often applied to control the dynamics of objects by scanning light. However, there is a limitation that objects fail to track the scan when the drag exceeds the trapping force. In contrast, Laguerre-Gaussian (LG) beams can directly control the torque on objects and provide a typical model for nonequilibrium systems such as Brownian motion under external fields. Although stable ``mid-water'' trapping is essential for removing extrinsic hydrodynamic effects in such studies, three-dimensional trapping by LG beams has not yet been clearly established. Here we report the three-dimensional off-axis trapping of dielectric spheres using high-quality LG beams generated by a special holographic method. The trapping position was estimated as ~ half the wavelength behind the beam waist. These results establish the scientific groundwork of LG trapping and the technical basis of calibrating optical torque to provide powerful tools for studying energy-conversion mechanisms and the nonequilibrium nature of biological molecules under torque.

  20. Direct evidence for three-dimensional off-axis trapping with single Laguerre-Gaussian beam.

    PubMed

    Otsu, T; Ando, T; Takiguchi, Y; Ohtake, Y; Toyoda, H; Itoh, H

    2014-01-01

    Optical tweezers are often applied to control the dynamics of objects by scanning light. However, there is a limitation that objects fail to track the scan when the drag exceeds the trapping force. In contrast, Laguerre-Gaussian (LG) beams can directly control the torque on objects and provide a typical model for nonequilibrium systems such as Brownian motion under external fields. Although stable "mid-water" trapping is essential for removing extrinsic hydrodynamic effects in such studies, three-dimensional trapping by LG beams has not yet been clearly established. Here we report the three-dimensional off-axis trapping of dielectric spheres using high-quality LG beams generated by a special holographic method. The trapping position was estimated as ~ half the wavelength behind the beam waist. These results establish the scientific groundwork of LG trapping and the technical basis of calibrating optical torque to provide powerful tools for studying energy-conversion mechanisms and the nonequilibrium nature of biological molecules under torque. PMID:24694781

  1. Direct imaging of a two-dimensional silica glass on graphene.

    PubMed

    Huang, Pinshane Y; Kurasch, Simon; Srivastava, Anchal; Skakalova, Viera; Kotakoski, Jani; Krasheninnikov, Arkady V; Hovden, Robert; Mao, Qingyun; Meyer, Jannik C; Smet, Jurgen; Muller, David A; Kaiser, Ute

    2012-02-01

    Large-area graphene substrates provide a promising lab bench for synthesizing, manipulating, and characterizing low-dimensional materials, opening the door to high-resolution analyses of novel structures, such as two-dimensional (2D) glasses, that cannot be exfoliated and may not occur naturally. Here, we report the accidental discovery of a 2D silica glass supported on graphene. The 2D nature of this material enables the first atomic resolution transmission electron microscopy of a glass, producing images that strikingly resemble Zachariasen's original 1932 cartoon models of 2D continuous random network glasses. Atomic-resolution electron spectroscopy identifies the glass as SiO(2) formed from a bilayer of (SiO(4))(2-) tetrahedra and without detectable covalent bonding to the graphene. From these images, we directly obtain ring statistics and pair distribution functions that span short-, medium-, and long-range order. Ab initio calculations indicate that van der Waals interactions with graphene energetically stabilizes the 2D structure with respect to bulk SiO(2). These results demonstrate a new class of 2D glasses that can be applied in layered graphene devices and studied at the atomic scale. PMID:22268818

  2. Three dimensional graphene transistor for ultra-sensitive pH sensing directly in biological media.

    PubMed

    Ameri, Shideh Kabiri; Singh, Pramod K; Sonkusale, Sameer R

    2016-08-31

    In this work, pH sensing directly in biological media using three dimensional liquid gated graphene transistors is presented. The sensor is made of suspended network of graphene coated all around with thin layer of hafnium oxide (HfO2), showing high sensitivity and sensing beyond the Debye-screening limit. The performance of the pH sensor is validated by measuring the pH of isotonic buffered, Dulbecco's phosphate buffered saline (DPBS) solution, and of blood serum derived from Sprague-Dawley rat. The pH sensor shows high sensitivity of 71 ± 7 mV/pH even in high ionic strength media with molarities as high as 289 ± 1 mM. High sensitivity of this device is owing to suspension of three dimensional graphene in electrolyte which provides all around liquid gating of graphene, leading to higher electrostatic coupling efficiency of electrolyte to the channel and higher gating control of transistor channel by ions in the electrolyte. Coating graphene with hafnium oxide film (HfO2) provides binding sites for hydrogen ions, which results in higher sensitivity and sensing beyond the Debye-screening limit. The 3D graphene transistor offers the possibility of real-time pH measurement in biological media without the need for desaltation or sample preparation. PMID:27506362

  3. Laser direct-write for fabrication of three-dimensional paper-based devices.

    PubMed

    He, P J W; Katis, I N; Eason, R W; Sones, C L

    2016-08-16

    We report the use of a laser-based direct-write (LDW) technique that allows the design and fabrication of three-dimensional (3D) structures within a paper substrate that enables implementation of multi-step analytical assays via a 3D protocol. The technique is based on laser-induced photo-polymerisation, and through adjustment of the laser writing parameters such as the laser power and scan speed we can control the depths of hydrophobic barriers that are formed within a substrate which, when carefully designed and integrated, produce 3D flow paths. So far, we have successfully used this depth-variable patterning protocol for stacking and sealing of multi-layer substrates, for assembly of backing layers for two-dimensional (2D) lateral flow devices and finally for fabrication of 3D devices. Since the 3D flow paths can also be formed via a single laser-writing process by controlling the patterning parameters, this is a distinct improvement over other methods that require multiple complicated and repetitive assembly procedures. This technique is therefore suitable for cheap, rapid and large-scale fabrication of 3D paper-based microfluidic devices. PMID:27436100

  4. Augmentation of direct laser writing fabrication throughput for three-dimensional structures by varying focusing conditions

    NASA Astrophysics Data System (ADS)

    Jonušauskas, Linas; Rekštytė, Sima; Malinauskas, Mangirdas

    2014-12-01

    We propose a laser fabrication approach for single monolith structure by varying beam focusing lenses (NA1=1.4 and NA2=0.45). With this, we show great improvement of the manufacturing throughput while keeping the desired spatial resolution and feature definition. To quantitatively evaluate its efficiency, we theoretically calculate and experimentally measure the polymerized volume using different focusing conditions and show that the augmentation can reach more than sevenfold. Based on this, sample structures of hybrid organic-inorganic SZ2080 and hydrogel polyethylene (glycol) diacrylate photopolymers were successfully manufactured. These three-dimensional structures included prototype scaffolds for cell growth and microfluidic components. Their quality was assessed and possible difficulties as well as limitations that arose were discussed. The new structures were compared to alternative direct laser writing throughput increasing techniques. Finally, we discussed potential applications in manufacturing various elements for regenerative medicine and microfluidics.

  5. Direct exfoliation and dispersion of two-dimensional materials in pure water via temperature control

    NASA Astrophysics Data System (ADS)

    Kim, Jinseon; Kwon, Sanghyuk; Cho, Dae-Hyun; Kang, Byunggil; Kwon, Hyukjoon; Kim, Youngchan; Park, Sung O.; Jung, Gwan Yeong; Shin, Eunhye; Kim, Wan-Gu; Lee, Hyungdong; Ryu, Gyeong Hee; Choi, Minseok; Kim, Tae Hyeong; Oh, Junghoon; Park, Sungjin; Kwak, Sang Kyu; Yoon, Suk Wang; Byun, Doyoung; Lee, Zonghoon; Lee, Changgu

    2015-09-01

    The high-volume synthesis of two-dimensional (2D) materials in the form of platelets is desirable for various applications. While water is considered an ideal dispersion medium, due to its abundance and low cost, the hydrophobicity of platelet surfaces has prohibited its widespread use. Here we exfoliate 2D materials directly in pure water without using any chemicals or surfactants. In order to exfoliate and disperse the materials in water, we elevate the temperature of the sonication bath, and introduce energy via the dissipation of sonic waves. Storage stability greater than one month is achieved through the maintenance of high temperatures, and through atomic and molecular level simulations, we further discover that good solubility in water is maintained due to the presence of platelet surface charges as a result of edge functionalization or intrinsic polarity. Finally, we demonstrate inkjet printing on hard and flexible substrates as a potential application of water-dispersed 2D materials.

  6. Direct exfoliation and dispersion of two-dimensional materials in pure water via temperature control

    PubMed Central

    Kim, Jinseon; Kwon, Sanghyuk; Cho, Dae-Hyun; Kang, Byunggil; Kwon, Hyukjoon; Kim, Youngchan; Park, Sung O.; Jung, Gwan Yeong; Shin, Eunhye; Kim, Wan-Gu; Lee, Hyungdong; Ryu, Gyeong Hee; Choi, Minseok; Kim, Tae Hyeong; Oh, Junghoon; Park, Sungjin; Kwak, Sang Kyu; Yoon, Suk Wang; Byun, Doyoung; Lee, Zonghoon; Lee, Changgu

    2015-01-01

    The high-volume synthesis of two-dimensional (2D) materials in the form of platelets is desirable for various applications. While water is considered an ideal dispersion medium, due to its abundance and low cost, the hydrophobicity of platelet surfaces has prohibited its widespread use. Here we exfoliate 2D materials directly in pure water without using any chemicals or surfactants. In order to exfoliate and disperse the materials in water, we elevate the temperature of the sonication bath, and introduce energy via the dissipation of sonic waves. Storage stability greater than one month is achieved through the maintenance of high temperatures, and through atomic and molecular level simulations, we further discover that good solubility in water is maintained due to the presence of platelet surface charges as a result of edge functionalization or intrinsic polarity. Finally, we demonstrate inkjet printing on hard and flexible substrates as a potential application of water-dispersed 2D materials. PMID:26369895

  7. Three-dimensional Dendritic Needle Network model with application to Al-Cu directional solidification experiments

    SciTech Connect

    Tourret, D.; Karma, A.; Clarke, A. J.; Gibbs, P. J.; Imhoff, S. D.

    2015-06-11

    We present a three-dimensional (3D) extension of a previously proposed multi-scale Dendritic Needle Network (DNN) approach for the growth of complex dendritic microstructures. Using a new formulation of the DNN dynamics equations for dendritic paraboloid-branches of a given thickness, one can directly extend the DNN approach to 3D modeling. We validate this new formulation against known scaling laws and analytical solutions that describe the early transient and steady-state growth regimes, respectively. Finally, we compare the predictions of the model to in situ X-ray imaging of Al-Cu alloy solidification experiments. The comparison shows a very good quantitative agreement between 3D simulations and thin sample experiments. It also highlights the importance of full 3D modeling to accurately predict the primary dendrite arm spacing that is significantly over-estimated by 2D simulations.

  8. Three-dimensional Dendritic Needle Network model with application to Al-Cu directional solidification experiments

    DOE PAGESBeta

    Tourret, D.; Karma, A.; Clarke, A. J.; Gibbs, P. J.; Imhoff, S. D.

    2015-06-11

    We present a three-dimensional (3D) extension of a previously proposed multi-scale Dendritic Needle Network (DNN) approach for the growth of complex dendritic microstructures. Using a new formulation of the DNN dynamics equations for dendritic paraboloid-branches of a given thickness, one can directly extend the DNN approach to 3D modeling. We validate this new formulation against known scaling laws and analytical solutions that describe the early transient and steady-state growth regimes, respectively. Finally, we compare the predictions of the model to in situ X-ray imaging of Al-Cu alloy solidification experiments. The comparison shows a very good quantitative agreement between 3D simulationsmore » and thin sample experiments. It also highlights the importance of full 3D modeling to accurately predict the primary dendrite arm spacing that is significantly over-estimated by 2D simulations.« less

  9. The Calculation of Thermal Conductivities by Three Dimensional Direct Simulation Monte Carlo Method.

    PubMed

    Zhao, Xin-Peng; Li, Zeng-Yao; Liu, He; Tao, Wen-Quan

    2015-04-01

    Three dimensional direct simulation Monte Carlo (DSMC) method with the variable soft sphere (VSS) collision model is implemented to solve the Boltzmann equation and to acquire the heat flux between two parallel plates (Fourier Flow). The gaseous thermal conductivity of nitrogen is derived based on the Fourier's law under local equilibrium condition at temperature from 270 to 1800 K and pressure from 0.5 to 100,000 Pa and compared with the experimental data and Eucken relation from Chapman and Enskog (CE) theory. It is concluded that the present results are consistent with the experimental data but much higher than those by Eucken relation especially at high temperature. The contribution of internal energy of molecule to the gaseous thermal conductivity becomes significant as increasing the temperature. PMID:26353582

  10. Liquid Phase Exfoliation of Two-Dimensional Materials by Directly Probing and Matching Surface Tension Components.

    PubMed

    Shen, Jianfeng; He, Yongmin; Wu, Jingjie; Gao, Caitian; Keyshar, Kunttal; Zhang, Xiang; Yang, Yingchao; Ye, Mingxin; Vajtai, Robert; Lou, Jun; Ajayan, Pulickel M

    2015-08-12

    Exfoliation of two-dimensional (2D) materials into mono- or few layers is of significance for both fundamental studies and potential applications. In this report, for the first time surface tension components were directly probed and matched to predict solvents with effective liquid phase exfoliation (LPE) capability for 2D materials such as graphene, h-BN, WS2, MoS2, MoSe2, Bi2Se3, TaS2, and SnS2. Exfoliation efficiency is enhanced when the ratios of the surface tension components of the applied solvent is close to that of the 2D material in question. We enlarged the library of low-toxic and common solvents for LPE. Our study provides distinctive insight into LPE and has pioneered a rational strategy for LPE of 2D materials with high yield. PMID:26200657

  11. Piezoelectric two-dimensional nanosheets/anionic layer heterojunction for efficient direct current power generation

    NASA Astrophysics Data System (ADS)

    Kim, Kwon-Ho; Kumar, Brijesh; Lee, Keun Young; Park, Hyun-Kyu; Lee, Ju-Hyuck; Lee, Hyun Hwi; Jun, Hoin; Lee, Dongyun; Kim, Sang-Woo

    2013-06-01

    Direct current (DC) piezoelectric power generator is promising for the miniaturization of a power package and self-powering of nanorobots and body-implanted devices. Hence, we report the first use of two-dimensional (2D) zinc oxide (ZnO) nanostructure and an anionic nanoclay layer to generate piezoelectric DC output power. The device, made from 2D nanosheets and an anionic nanoclay layer heterojunction, has potential to be the smallest size power package, and could be used to charge wireless nano/micro scale systems without the use of rectifier circuits to convert alternating current into DC to store the generated power. The combined effect of buckling behaviour of the ZnO nanosheets, a self-formed anionic nanoclay layer, and coupled semiconducting and piezoelectric properties of ZnO nanosheets contributes to efficient DC power generation. The networked ZnO nanosheets proved to be structurally stable under huge external mechanical loads.

  12. Correlation of Chemical Bond Directions and Functional Group Orientations in Solids by Two-Dimensional NMR

    NASA Astrophysics Data System (ADS)

    Weliky, D. P.; Dabbagh, G.; Tycko, R.

    We describe a new two-dimensional NMR technique for structural studies of polycrystalline and noncrystalline solids. The technique is a variant of 2D exchange spectroscopy applicable to organic molecules, macromolecules, or molecular complexes that are doubly 13C-labeled at a specific carboncarbon bond and singly 13C labeled at a specific functional group. A Carr-Purcell sequence is used to obtain dipolar spectra in the t1 dimension. Spectra in the t2 dimension are determined primarily by the chemical-shift anisotropy. With spin diffusion among the labeled sites between the t1 and t2 periods, the resulting 2D spectra reveal correlations between the direction of the labeled bond and the orientation of the labeled functional group. Experimental spectra of two polycrystalline model compounds, dimethyl succinate and diammonium succinate, are presented and compared with simulations to illustrate the structural information contained in the 2D spectra.

  13. Whistlers and plasmaspheric hiss: Wave directions and three-dimensional propagation

    SciTech Connect

    Draganov, A.B.; Inan, U.S.; Sonwalkar, V.S.; Bell, T.F.

    1993-07-01

    Wave data from the DE 1 satellite showing simultaneously nonducted whistlers and hiss are analyzed to determine wave propagation directions. At L = 3.8 and a geographic latitude of {lambda}{sub g} = 12{degrees}S, the average wave normal directions of discrete whistlers are measured to be {approximately}51{degrees} for f = 4.5 kHz and {approximately}60{degrees} for f = 3.5 kHz, forming a small (<20{degrees}) angle with the magnetic meridional plane. Hiss wave normal angles are determined as {approximately}70{degrees} and {approximately}77{degrees} for f = 3.5 kHz and f = 2.5 kHz, respectively, with the wave vector being almost perpendicular to the meridional plane. While the measured wave normal angles of whistlers and hiss are consistent with generation of hiss by magnetospheric whistlers, existence of a significant azimuthal component indicates that further assessment of this connection must be based on three-dimensional ray tracing. A new approximate analytical formulation of three-dimensional propagation of whistler waves is developed and used to model the drift of magnetospherically reflected whistlers in azimuth. The results show that depending on initial parameters, the time of arrival of whistler rays at a fixed observation point can differ by 10-20 s, with signals from different magnetospherically reflected whistlers overlapping to evolve into a hiss like signal. The total azimuthal drift of whistler rays is found to not exceed {approximately}30{degrees}, so that plasmaspheric hiss may be produced by nonducted whistlers at longitudes correlated with the location of thunderstorm activity. 22 refs., 11 figs.

  14. Hierarchical development of three direct-design methods for two-dimensional axial-turbomachinery cascades

    SciTech Connect

    Korakianitis, T. )

    1993-04-01

    The direct and inverse blade-design iterations for the selection of isolated airfoils and gas turbine blade cascades are enormously reduced if the initial blade shape has performance characteristics near the desirable ones. This paper presents the hierarchical development of three direct blade-design methods of increasing utility for generating two-dimensional blade shapes. The methods can be used to generate inputs to the direct- or inverse-blade-design sequences for subsonic or supersonic airfoils for compressors and turbines, or isolated airfoils. The first method specifies the airfoil shapes with analytical polynomials. It shows that continuous curvature and continuous slope of curvature are necessary conditions to minimize the possibility of flow separation, and to lead to improved blade designs. The second method specifies the airfoil shapes with parametric fourth-order polynomials, which result in continuous-slope-of-curvature airfoils, with smooth Mach number and pressure distributions. This method is time consuming. The third method specifies the airfoil shapes by using a mixture of analytical polynomials and mapping the airfoil surfaces from a desirable curvature distribution. The third method provides blade surfaces with desirable performance in very few direct-design iterations. In all methods the geometry near the leading edge is specified by a thickness distribution added to a construction line, which eliminates the leading edge overspeed and laminar-separation regions. The blade-design methods presented in this paper can be used to improve the aerodynamic and heat transfer performance of turbomachinery cascades, and they can result in high-performance airfoils in very few iterations.

  15. Direct Simulation of Evolution and Control of Three-Dimensional Instabilities in Attachment-Line Boundary Layers

    NASA Technical Reports Server (NTRS)

    Joslin, Ronald D.

    1995-01-01

    The spatial evolution of three-dimensional disturbances in an attachment-line boundary layer is computed by direct numerical simulation of the unsteady, incompressible Navier-Stokes equations. Disturbances are introduced into the boundary layer by harmonic sources that involve unsteady suction and blowing through the wall. Various harmonic- source generators are implemented on or near the attachment line, and the disturbance evolutions are compared. Previous two-dimensional simulation results and nonparallel theory are compared with the present results. The three-dimensional simulation results for disturbances with quasi-two-dimensional features indicate growth rates of only a few percent larger than pure two-dimensional results; however, the results are close enough to enable the use of the more computationally efficient, two-dimensional approach. However, true three-dimensional disturbances are more likely in practice and are more stable than two-dimensional disturbances. Disturbances generated off (but near) the attachment line spread both away from and toward the attachment line as they evolve. The evolution pattern is comparable to wave packets in at-plate boundary-layer flows. Suction stabilizes the quasi-two-dimensional attachment-line instabilities, and blowing destabilizes these instabilities; these results qualitatively agree with the theory. Furthermore, suction stabilizes the disturbances that develop off the attachment line. Clearly, disturbances that are generated near the attachment line can supply energy to attachment-line instabilities, but suction can be used to stabilize these instabilities.

  16. A multiple-direction Trefftz method for solving the multi-dimensional wave equation in an arbitrary spatial domain

    NASA Astrophysics Data System (ADS)

    Liu, Chein-Shan; Kuo, Chung-Lun

    2016-09-01

    In this paper we first express the wave equation in terms of the Minkowskian polar coordinates and generate a set of complete hyperbolic type Trefftz bases: rk cosh ⁡ (kθ) and rk sinh ⁡ (kθ), which are further transformed to wave polynomials as the trial solution bases for the one-dimensional wave equation. In order to stably solve the wave propagation problems long-term we develop a multiple-scale Trefftz method (MSTM), of which the scales are determined a priori by the collocation points. Then we derive a very simple method of multi-dimensional wave polynomials, equipped with different spatial directions which being the normalized wavenumber vectors, as the polynomial Trefftz bases for solving the multi-dimensional wave equations, which is named a multiple-direction Trefftz method (MDTM). Several numerical examples of two- and three-dimensional wave equations demonstrate that the present method is efficient and stable.

  17. Three-dimensional micro-/nano-structuring via direct write polymerization with picosecond laser pulses.

    PubMed

    Malinauskas, Mangirdas; Danilevičius, Paulius; Juodkazis, Saulius

    2011-03-14

    We demonstrate capability to structure photo-polymers with sub-wavelength resolution, ∼200-500 nm, and retrieve three-dimensional (3D) structures using a picosecond laser exposure. This alternative to commonly used ultra-short femtosecond lasers extends accessibility of 3D direct write. A popular hybrid sol-gel resist SZ2080 was used for quantitative determination of structuring resolution at 1064 nm and 532 nm wavelengths and for pulses of 8-25 ps duration at the repetition rates of 0.2-1 MHz. Systematic study of feature size dependence of 3D suspended nano-rods shows that linear power dependence of photopolymerization on the dose-per-pulse becomes dominant at higher repetition rates (≥0.5 MHz) while the two-photon nonlinear absorption is still distinguishable at rates lower than 0.2 MHz and shorter pulses (≤8 ps). Thermal accumulation defines polymerization when cooling time of the focal volume is larger than separation between pulses. Photopolymerization and its scaling mechanisms, quality, and fidelity at tight focusing of fs-, ps-, and cw-laser radiation are revealed and explained. 3D scaffolds for biomedicine and microlenses for optical applications are fabricated by the ps-laser direct write. PMID:21445200

  18. Direct laser writing of three-dimensional photonic-crystal templates for telecommunications.

    PubMed

    Deubel, Markus; von Freymann, Georg; Wegener, Martin; Pereira, Suresh; Busch, Kurt; Soukoulis, Costas M

    2004-07-01

    The past decade has witnessed intensive research efforts related to the design and fabrication of photonic crystals. These periodically structured dielectric materials can represent the optical analogue of semiconductor crystals, and provide a novel platform for the realization of integrated photonics. Despite intensive efforts, inexpensive fabrication techniques for large-scale three-dimensional photonic crystals of high enough quality, with photonic bandgaps at near-infrared frequencies, and built-in functional elements for telecommunication applications, have been elusive. Direct laser writing by multiphoton polymerization of a photoresist has emerged as a technique for the rapid, cheap and flexible fabrication of nanostructures for photonics. In 1999, so-called layer-by-layer or woodpile photonic crystals were fabricated with a fundamental stop band at 3.9 microm wavelength. In 2002, a corresponding 1.9 microm was achieved, but the important face-centred-cubic (f.c.c.) symmetry was abandoned. Importantly, fundamental stop bands or photonic bandgaps at telecommunication wavelengths have not been demonstrated. In this letter, we report the fabrication--through direct laser writing--and detailed characterization of high-quality large-scale f.c.c. layer-by-layer structures, with fundamental stop bands ranging from 1.3 to 1.7 microm. PMID:15195083

  19. One-dimensional hybrid-direct kinetic simulation of the discharge plasma in a Hall thruster

    SciTech Connect

    Hara, Kentaro; Boyd, Iain D.; Kolobov, Vladimir I.

    2012-11-15

    In order to model the non-equilibrium plasma within the discharge region of a Hall thruster, the velocity distribution functions (VDFs) must be obtained accurately. A direct kinetic (DK) simulation method that directly solves the plasma Boltzmann equation can achieve better resolution of VDFs in comparison to particle simulations, such as the particle-in-cell (PIC) method that inherently include statistical noise. In this paper, a one-dimensional hybrid-DK simulation, which uses a DK simulation for heavy species and a fluid model for electrons, is developed and compared to a hybrid-PIC simulation. Time-averaged results obtained from the hybrid-DK simulation are in good agreement with hybrid-PIC results and experimental data. It is shown from a comparison of using a kinetic simulation and solving the continuity equation that modeling of the neutral atoms plays an important role for simulations of the Hall thruster discharge plasma. In addition, low and high frequency plasma oscillations are observed. Although the kinetic nature of electrons is not resolved due to the use of a fluid model, the hybrid-DK model provides spatially and temporally well-resolved plasma properties and an improved resolution of VDFs for heavy species with less statistical noise in comparison to the hybrid-PIC method.

  20. Production of Two-Dimensional Nanomaterials via Liquid-Based Direct Exfoliation.

    PubMed

    Niu, Liyong; Coleman, Jonathan N; Zhang, Hua; Shin, Hyeonsuk; Chhowalla, Manish; Zheng, Zijian

    2016-01-20

    Tremendous efforts have been devoted to the synthesis and application of two-dimensional (2D) nanomaterials due to their extraordinary and unique properties in electronics, photonics, catalysis, etc., upon exfoliation from their bulk counterparts. One of the greatest challenges that scientists are confronted with is how to produce large quantities of 2D nanomaterials of high quality in a commercially viable way. This review summarizes the state-of-the-art of the production of 2D nanomaterials using liquid-based direct exfoliation (LBE), a very promising and highly scalable wet approach for synthesizing high quality 2D nanomaterials in mild conditions. LBE is a collection of methods that directly exfoliates bulk layered materials into thin flakes of 2D nanomaterials in liquid media without any, or with a minimum degree of, chemical reactions, so as to maintain the high crystallinity of 2D nanomaterials. Different synthetic methods are categorized in the following, in which material characteristics including dispersion concentration, flake thickness, flake size and some applications are discussed in detail. At the end, we provide an overview of the advantages and disadvantages of such synthetic methods of LBE and propose future perspectives. PMID:26663877

  1. Three-dimensional direct measurement of cardiomyocyte volume, nuclearity, and ploidy in thick histological sections.

    PubMed

    Bensley, Jonathan Guy; De Matteo, Robert; Harding, Richard; Black, Mary Jane

    2016-01-01

    Quantitative assessment of myocardial development and disease requires accurate measurement of cardiomyocyte volume, nuclearity (nuclei per cell), and ploidy (genome copies per cell). Current methods require enzymatically isolating cells, which excludes the use of archived tissue, or serial sectioning. We describe a method of analysis that permits the direct simultaneous measurement of cardiomyocyte volume, nuclearity, and ploidy in thick histological sections. To demonstrate the utility of our technique, heart tissue was obtained from four species (rat, mouse, rabbit, sheep) at up to three life stages: prenatal, weaning and adulthood. Thick (40 μm) paraffin sections were stained with Wheat Germ Agglutinin-Alexa Fluor 488 to visualise cell membranes, and DAPI (4',6-diamidino-2-phenylindole) to visualise nuclei and measure ploidy. Previous methods have been restricted to thin sections (2-10 μm) and offer an incomplete picture of cardiomyocytes. Using confocal microscopy and three-dimensional image analysis software (Imaris Version 8.2, Bitplane AG, Switzerland), cardiomyocyte volume, nuclearity, and ploidy were measured. This method of staining and analysis of cardiomyocytes enables accurate morphometric measurements in thick histological sections, thus unlocking the potential of archived tissue. Our novel time-efficient method permits the entire cardiomyocyte to be visualised directly in 3D, eliminating the need for precise alignment of serial sections. PMID:27048757

  2. Degradation-mediated cellular traction directs stem cell fate in covalently crosslinked three-dimensional hydrogels

    NASA Astrophysics Data System (ADS)

    Khetan, Sudhir; Guvendiren, Murat; Legant, Wesley R.; Cohen, Daniel M.; Chen, Christopher S.; Burdick, Jason A.

    2013-05-01

    Although cell-matrix adhesive interactions are known to regulate stem cell differentiation, the underlying mechanisms, in particular for direct three-dimensional encapsulation within hydrogels, are poorly understood. Here, we demonstrate that in covalently crosslinked hyaluronic acid (HA) hydrogels, the differentiation of human mesenchymal stem cells (hMSCs) is directed by the generation of degradation-mediated cellular traction, independently of cell morphology or matrix mechanics. hMSCs within HA hydrogels of equivalent elastic moduli that permit (restrict) cell-mediated degradation exhibited high (low) degrees of cell spreading and high (low) tractions, and favoured osteogenesis (adipogenesis). Moreover, switching the permissive hydrogel to a restrictive state through delayed secondary crosslinking reduced further hydrogel degradation, suppressed traction, and caused a switch from osteogenesis to adipogenesis in the absence of changes to the extended cellular morphology. Furthermore, inhibiting tension-mediated signalling in the permissive environment mirrored the effects of delayed secondary crosslinking, whereas upregulating tension induced osteogenesis even in the restrictive environment.

  3. Three-dimensional direct measurement of cardiomyocyte volume, nuclearity, and ploidy in thick histological sections

    NASA Astrophysics Data System (ADS)

    Bensley, Jonathan Guy; de Matteo, Robert; Harding, Richard; Black, Mary Jane

    2016-04-01

    Quantitative assessment of myocardial development and disease requires accurate measurement of cardiomyocyte volume, nuclearity (nuclei per cell), and ploidy (genome copies per cell). Current methods require enzymatically isolating cells, which excludes the use of archived tissue, or serial sectioning. We describe a method of analysis that permits the direct simultaneous measurement of cardiomyocyte volume, nuclearity, and ploidy in thick histological sections. To demonstrate the utility of our technique, heart tissue was obtained from four species (rat, mouse, rabbit, sheep) at up to three life stages: prenatal, weaning and adulthood. Thick (40 μm) paraffin sections were stained with Wheat Germ Agglutinin-Alexa Fluor 488 to visualise cell membranes, and DAPI (4‧,6-diamidino-2-phenylindole) to visualise nuclei and measure ploidy. Previous methods have been restricted to thin sections (2–10 μm) and offer an incomplete picture of cardiomyocytes. Using confocal microscopy and three-dimensional image analysis software (Imaris Version 8.2, Bitplane AG, Switzerland), cardiomyocyte volume, nuclearity, and ploidy were measured. This method of staining and analysis of cardiomyocytes enables accurate morphometric measurements in thick histological sections, thus unlocking the potential of archived tissue. Our novel time-efficient method permits the entire cardiomyocyte to be visualised directly in 3D, eliminating the need for precise alignment of serial sections.

  4. Three-dimensional direct measurement of cardiomyocyte volume, nuclearity, and ploidy in thick histological sections

    PubMed Central

    Bensley, Jonathan Guy; De Matteo, Robert; Harding, Richard; Black, Mary Jane

    2016-01-01

    Quantitative assessment of myocardial development and disease requires accurate measurement of cardiomyocyte volume, nuclearity (nuclei per cell), and ploidy (genome copies per cell). Current methods require enzymatically isolating cells, which excludes the use of archived tissue, or serial sectioning. We describe a method of analysis that permits the direct simultaneous measurement of cardiomyocyte volume, nuclearity, and ploidy in thick histological sections. To demonstrate the utility of our technique, heart tissue was obtained from four species (rat, mouse, rabbit, sheep) at up to three life stages: prenatal, weaning and adulthood. Thick (40 μm) paraffin sections were stained with Wheat Germ Agglutinin-Alexa Fluor 488 to visualise cell membranes, and DAPI (4′,6-diamidino-2-phenylindole) to visualise nuclei and measure ploidy. Previous methods have been restricted to thin sections (2–10 μm) and offer an incomplete picture of cardiomyocytes. Using confocal microscopy and three-dimensional image analysis software (Imaris Version 8.2, Bitplane AG, Switzerland), cardiomyocyte volume, nuclearity, and ploidy were measured. This method of staining and analysis of cardiomyocytes enables accurate morphometric measurements in thick histological sections, thus unlocking the potential of archived tissue. Our novel time-efficient method permits the entire cardiomyocyte to be visualised directly in 3D, eliminating the need for precise alignment of serial sections. PMID:27048757

  5. Acyclic and star colorings of joins of graphs and an algorithm for cographs.

    SciTech Connect

    Lyons, A.; Mathematics and Computer Science; Univ. of Chicago

    2009-01-01

    An acyclic coloring of a graph is a proper vertex coloring such that the subgraph induced by the union of any two color classes is a disjoint collection of trees. The more restricted notion of star coloring requires that the union of any two color classes induces a disjoint collection of stars. The acyclic and star chromatic numbers of a graph G are defined analogously to the chromatic number {chi}(G) and are denoted by {chi}{sub a}(G) and {chi}{sub s}(G), respectively. In this paper, we consider acyclic and star colorings of graphs that are decomposable with respect to the join operation, which builds a new graph from a collection of two or more disjoint graphs by adding all possible edges between them. In particular, we present a recursive formula for the acyclic chromatic number of joins of graphs and show that a similar formula holds for the star chromatic number. We also demonstrate the algorithmic implications of our results for the cographs, which have the unique property that they are recursively decomposable with respect to the join and disjoint union operations.

  6. Alteration in substrate specificity of horse liver alcohol dehydrogenase by an acyclic nicotinamide analog of NAD(+).

    PubMed

    Malver, Olaf; Sebastian, Mina J; Oppenheimer, Norman J

    2014-11-01

    A new, acyclic NAD-analog, acycloNAD(+) has been synthesized where the nicotinamide ribosyl moiety has been replaced by the nicotinamide (2-hydroxyethoxy)methyl moiety. The chemical properties of this analog are comparable to those of β-NAD(+) with a redox potential of -324mV and a 341nm λmax for the reduced form. Both yeast alcohol dehydrogenase (YADH) and horse liver alcohol dehydrogenase (HLADH) catalyze the reduction of acycloNAD(+) by primary alcohols. With HLADH 1-butanol has the highest Vmax at 49% that of β-NAD(+). The primary deuterium kinetic isotope effect is greater than 3 indicating a significant contribution to the rate limiting step from cleavage of the carbon-hydrogen bond. The stereochemistry of the hydride transfer in the oxidation of stereospecifically deuterium labeled n-butanol is identical to that for the reaction with β-NAD(+). In contrast to the activity toward primary alcohols there is no detectable reduction of acycloNAD(+) by secondary alcohols with HLADH although these alcohols serve as competitive inhibitors. The net effect is that acycloNAD(+) has converted horse liver ADH from a broad spectrum alcohol dehydrogenase, capable of utilizing either primary or secondary alcohols, into an exclusively primary alcohol dehydrogenase. This is the first example of an NAD analog that alters the substrate specificity of a dehydrogenase and, like site-directed mutagenesis of proteins, establishes that modifications of the coenzyme distance from the active site can be used to alter enzyme function and substrate specificity. These and other results, including the activity with α-NADH, clearly demonstrate the promiscuity of the binding interactions between dehydrogenases and the riboside phosphate of the nicotinamide moiety, thus greatly expanding the possibilities for the design of analogs and inhibitors of specific dehydrogenases. PMID:25280628

  7. Orthogonal-polarized directional backlight-based three-dimensional display with high horizontal resolution and low crosstalk.

    PubMed

    Lv, Guo-Jiao; Wang, Qiong-Hua; Zhao, Wu-Xiang

    2014-06-20

    An orthogonal-polarized directional backlight-based three-dimensional (3D) display is proposed. This backlight consists of an orthogonal-polarized backlight and a parallax barrier, so it can project light with different polarized directions to different spatial directions. The backlight can project the pixels with different polarized directions on the two-dimensional display in different directions and form 3D images. With this backlight, the proposed display can provide double horizontal resolution. A prototype of this display is developed. Experiment results show that this display with double horizontal resolution can provide a better display effect than the conventional one, and it can decrease crosstalk to a low level. PMID:24979435

  8. New Directions in Asymptotically Stable Finite-dimensional Adaptive Control of Linear Distributed Parameter Systems

    NASA Technical Reports Server (NTRS)

    Balas, M. J.

    1985-01-01

    Distributed Parameter Systems (DPS), such as systems described by partial differential equations, require infinite-dimensional state space descriptions to correctly model their dynamical behavior. However, any adaptive control algorithm must be finite-dimensional in order to be implemented via on-line digital computers. Finite-dimensional adaptive control of linear DPS requires stability analysis of nonlinear, time-varying, infinite-dimensional systems. The structure of nonadaptive finite-dimensional control of linear DPS is summarized as it relates to the existence of limiting systems for adaptive control. Two candidate schemes for finite-dimensional adaptive control of DPS are described and critical issues in infinite-dimensional stability analysis are discussed, in particular, the invariance principle, center manifold theory, and relationships between input-output and internal stability.

  9. Three-dimensional modeling of direct-drive cryogenic implosions on OMEGA

    DOE PAGESBeta

    Igumenshchev, Igor V.; Goncharov, V. N.; Marshall, F. J.; Knauer, J. P.; Campbell, E. M.; Forrest, C. J.; Froula, D. H.; Glebov, V. Yu; McCrory, R. L.; Regan, S. P.; et al

    2016-05-04

    In this study, the effects of large-scale (with Legendre modes ≲10) laser-imposed nonuniformities in direct-drive cryogenic implosions on the OMEGA Laser System are investigated using three-dimensional hydrodynamic simulations performed using the newly developed code ASTER. Sources of these nonuniformities include an illumination pattern produced by 60 OMEGA laser beams; capsule offsets (~10 to 20 μm); and imperfect pointing, power balance, and timing of the beams (with typical σrms ~10 microns, 10%, and 5 ps, respectively). Two implosion designs using 26-kJ triple-picket laser pulses were studied: a nominal design, in which an 874-μm-diameter capsule is illuminated by about the same-diameter beams,more » and a more hydrodynamically efficient ''R75" design using a 900-μm-diameter capsule and beams of 75% of this diameter. Simulations show that nonuniformities caused by capsule offsets and beam imbalance have the largest effect on implosion performance. These nonuniformities lead to significant distortions of implosion cores, resulting in an increased residual kinetic energy and incomplete stagnation. The shape of distorted cores can be well characterized using neutron images, but is less represented by 4-8 keV x-ray images. Simulated neutron spectra from perturbed implosions show large directional variations because of bulk motion effects and up to an ~2 keV variation of the hot-spot temperature inferred from these spectra. The R75 design suffers more from illumination nonuniformities. Simulations show an advantage of this design over the nominal design when the target offset and beam power imbalance σrms are reduced to less than 5 μm and 5%, respectively.« less

  10. Direct Two-Dimensional Access to the Spatial Location of Covert Attention in Macaque Prefrontal Cortex.

    PubMed

    Astrand, Elaine; Wardak, Claire; Baraduc, Pierre; Ben Hamed, Suliann

    2016-07-11

    Direct access to motor cortical information now enables tetraplegic patients to precisely control neuroprostheses and recover some autonomy. In contrast, explicit access to higher cortical cognitive functions, such as covert attention, has been missing. Indeed, this cognitive information, known only to the subject, can solely be inferred by an observer from the subject's overt behavior. Here, we present direct two-dimensional real-time access to where monkeys are covertly paying attention, using machine-learning decoding methods applied to their ongoing prefrontal cortical activity. Decoded attention was highly predictive of overt behavior in a cued target-detection task. Indeed, monkeys had a higher probability of detecting a visual stimulus as the distance between decoded attention and stimulus location decreased. This was true whether the visual stimulus was presented at the cued target location or at another distractor location. In error trials, in which the animals failed to detect the cued target stimulus, both the locations of attention and visual cue were misencoded. This misencoding coincided with a specific state of the prefrontal cortical population in which the shared variability between its different neurons (or noise correlations) was high, even before trial onset. This observation strongly suggests a functional link between high noise-correlation states and attentional failure. Overall, this real-time access to the attentional spotlight, as well as the identification of a neural signature of attentional lapses, open new perspectives both to the study of the neural bases of attention and to the remediation or enhancement of the attentional function using neurofeedback. PMID:27238280

  11. Three-dimensional modeling of direct-drive cryogenic implosions on OMEGA

    NASA Astrophysics Data System (ADS)

    Igumenshchev, I. V.; Goncharov, V. N.; Marshall, F. J.; Knauer, J. P.; Campbell, E. M.; Forrest, C. J.; Froula, D. H.; Glebov, V. Yu.; McCrory, R. L.; Regan, S. P.; Sangster, T. C.; Skupsky, S.; Stoeckl, C.

    2016-05-01

    The effects of large-scale (with Legendre modes ≲ 10 ) laser-imposed nonuniformities in direct-drive cryogenic implosions on the OMEGA Laser System are investigated using three-dimensional hydrodynamic simulations performed using the newly developed code ASTER. Sources of these nonuniformities include an illumination pattern produced by 60 OMEGA laser beams, capsule offsets (˜10-20 μm), and imperfect pointing, power balance, and timing of the beams (with typical σ rms ˜ 10 μm, 10%, and 5 ps, respectively). Two implosion designs using 26-kJ triple-picket laser pulses were studied: a nominal design, in which an 874-μm-diameter capsule is illuminated by about the same-diameter beams, and a more hydrodynamically efficient "R75" design using a 900-μm-diameter capsule and beams of 75% of this diameter. Simulations show that nonuniformities caused by capsule offsets and beam imbalance have the largest effect on implosion performance. These nonuniformities lead to significant distortions of implosion cores, resulting in an increased residual kinetic energy and incomplete stagnation. The shape of distorted cores can be well characterized using neutron images but is less represented by 4-8 keV x-ray images. Simulated neutron spectra from perturbed implosions show large directional variations because of bulk motion effects and up to an ˜2 keV variation of the hot-spot temperature inferred from these spectra. The R75 design suffers more from illumination nonuniformities. Simulations show an advantage of this design over the nominal design when the target offset and beam power imbalance σ rms are reduced to less than 5 μm and 5%, respectively.

  12. Two-dimensional boron-nitrogen-carbon monolayers with tunable direct band gaps.

    PubMed

    Zhang, Miao; Gao, Guoying; Kutana, Alex; Wang, Yanchao; Zou, Xiaolong; Tse, John S; Yakobson, Boris I; Li, Hongdong; Liu, Hanyu; Ma, Yanming

    2015-07-28

    The search for new candidate semiconductors with direct band gaps of ∼1.4 eV has attracted significant attention, especially among the two-dimensional (2D) materials, which have become potential candidates for next-generation optoelectronics. Herein, we systematically studied 2D B(x)/2N(x/2)C(1-x) (0 < x < 1) compounds in particular focus on the four stoichiometric B(x)/2N(x/2)C(1-x) (x = 2/3, 1/2, 2/5 and 1/3) using a recently developed global optimization method (CALYPSO) in conjunction with density functional theory. Furthermore, we examine more stoichiometries by the cluster expansion technique based on a hexagonal lattice. The results reveal that all monolayer B(x)/2N(x/2)C(1-x) stoichiometries adopt a planar honeycomb character and are dynamically stable. Remarkably, electronic structural calculations show that most of B(x)/2N(x/2)C(1-x) phases possess direct band gaps within the optical range, thereby they can potentially be used in high-efficiency conversion of solar energy to electric power, as well as in p-n junction photovoltaic modules. The present results also show that the band gaps of B(x)/2N(x/2)C(1-x) can be widely tuned within the optical range by changing the concentration of carbon, thus allowing the fast development of band gap engineered materials in optoelectronics. These new findings may enable new approaches to the design of microelectronic devices. PMID:26111661

  13. Protein-directed assembly of arbitrary three-dimensional nanoporous silica architectures.

    PubMed

    Khripin, Constantine Y; Pristinski, Denis; Dunphy, Darren R; Brinker, C Jeffrey; Kaehr, Bryan

    2011-02-22

    Through precise control of nanoscale building blocks, such as proteins and polyamines, silica condensing microorganisms are able to create intricate mineral structures displaying hierarchical features from nano- to millimeter-length scales. The creation of artificial structures of similar characteristics is facilitated through biomimetic approaches, for instance, by first creating a bioscaffold comprised of silica condensing moieties which, in turn, govern silica deposition into three-dimensional (3D) structures. In this work, we demonstrate a protein-directed approach to template silica into true arbitrary 3D architectures by employing cross-linked protein hydrogels to controllably direct silica condensation. Protein hydrogels are fabricated using multiphoton lithography, which enables user-defined control over template features in three dimensions. Silica deposition, under acidic conditions, proceeds throughout protein hydrogel templates via flocculation of silica nanoparticles by protein molecules, as indicated by dynamic light scattering (DLS) and time-dependent measurements of elastic modulus. Following silica deposition, the protein template can be removed using mild thermal processing yielding high surface area (625 m(2)/g) porous silica replicas that do not undergo significant volume change compared to the starting template. We demonstrate the capabilities of this approach to create bioinspired silica microstructures displaying hierarchical features over broad length scales and the infiltration/functionalization capabilities of the nanoporous silica matrix by laser printing a 3D gold image within a 3D silica matrix. This work provides a foundation to potentially understand and mimic biogenic silica condensation under the constraints of user-defined biotemplates and further should enable a wide range of complex inorganic architectures to be explored using silica transformational chemistries, for instance silica to silicon, as demonstrated herein. PMID

  14. Direct three-dimensional imaging of structure in a strongly-coupled dusty plasma

    NASA Astrophysics Data System (ADS)

    Quinn, R. A.; Goree, J.; Pieper, J. B.

    1996-11-01

    Using direct imaging of 9 μ m plastic spheres suspended in low-power Krypton discharges, we have constructed three-dimensional images showing the crystalline structure of a strongly-coupled dusty plasma. The spheres, which are highly charged and levitated by the electrode sheath, form a strongly-coupled system. A horizontal laser sheet illuminates a slice through the suspension, and a video camera views at 90^circ . Using a vertical stack of digitized images of particles in equally-spaced horizontal planes, we reconstructed the 3-D structure. We found bcc (body-centered cubic) and simple hexagonal structures coexisting in the same suspension. This coexistence is attributed to a bistability owing to an attractive potential region downstream of a charged grain in the presence of flowing ions. The probability of the system arranging in itself in the bcc or simple hexagonal phases is found to depend on the rf power that is used to sustain the discharge, and this in turn affects the particle charge and Debye length.(J. B. Pieper, J. Goree, R. A. Quinn, submitted to Phys. Rev. E) Work supported by NSF and NASA

  15. The Local Front Reconstruction Method for direct simulation of two- and three-dimensional multiphase flows

    NASA Astrophysics Data System (ADS)

    Shin, Seungwon; Yoon, Ikroh; Juric, Damir

    2011-07-01

    We present a new interface reconstruction technique, the Local Front Reconstruction Method (LFRM), for incompressible multiphase flows. This new method falls in the category of Front Tracking methods but it shares automatic topology handling characteristics of the previously proposed Level Contour Reconstruction Method (LCRM). The LFRM tracks the phase interface explicitly as in Front Tracking but there is no logical connectivity between interface elements thus greatly easing the algorithmic complexity. Topological changes such as interfacial merging or pinch off are dealt with automatically and naturally as in the Level Contour Reconstruction Method. Here the method is described for both two- and three-dimensional flow geometries. The interfacial reconstruction technique in the LFRM differs from that in the LCRM formulation by foregoing using an Eulerian distance field function. Instead, the LFRM uses information from the original interface elements directly to generate the new interface in a mass conservative way thus showing significantly improved local mass conservation. Because the reconstruction procedure is independently carried out in each individual reconstruction cell after an initial localization process, an adaptive reconstruction procedure can be easily implemented to increase the accuracy while at the same time significantly decreasing the computational time required to perform the reconstruction. Several benchmarking tests are performed to validate the improved accuracy and computational efficiency as compared to the LCRM. The results demonstrate superior performance of the LFRM in maintaining detailed interfacial shapes and good local mass conservation especially when using low-resolution Eulerian grids.

  16. Direct observation of melting in a two-dimensional driven granular system

    PubMed Central

    Sun, Xiaoyan; Li, Yang; Ma, Yuqiang; Zhang, Zexin

    2016-01-01

    Melting is considered to be one of the most fundamental problems in physical science. Generally, dimensionality plays an important role in melting. In three-dimension, it’s well known that a crystal melts directly into a liquid via a first-order transition. In two-dimension (2D), however, the melting process has been widely debated whether it is a first-order transition or a two-step transition with an intermediate hexatic phase. Experimentally 2D melting has been intensively studied in equilibrium systems such as molecular and colloidal crystals, but rarely been explored in non-equilibrium system such as granular materials. In this paper, we experimentally studied the 2D melting in a driven granular model system at single particle level using video recording and particle tracking techniques. Measurements of orientational/translational correlation functions show evidences that the melting is a two-step transition. A novel concept of orientational/translational susceptibilities enable us to clearly resolve the intermediate hexatic phase. Our results are in excellent agreement with the two-step melting scenario predicted by KTHNY theory, and demonstrate that the KTHNY melting scenario can be extended to non-equilibrium systems. PMID:27052190

  17. A facile method for integrating direct-write devices into three-dimensional printed parts

    NASA Astrophysics Data System (ADS)

    Chang, Yung-Hang; Wang, Kan; Wu, Changsheng; Chen, Yiwen; Zhang, Chuck; Wang, Ben

    2015-06-01

    Integrating direct-write (DW) devices into three-dimensional (3D) printed parts is key to continuing innovation in engineering applications such as smart material systems and structural health monitoring. However, this integration is challenging because: (1) most 3D printing techniques leave rough or porous surfaces if they are untreated; (2) the thermal sintering process required for most conductive inks could degrade the polymeric materials of 3D printed parts; and (3) the extensive pause needed for the DW process during layer-by-layer fabrication may cause weaker interlayer bonding and create structural weak points. These challenges are rather common during the insertion of conductive patterns inside 3D printed structures. As an avoidance tactic, we developed a simple ‘print-stick-peel’ method to transfer the DW device from the polytetrafluoroethylene or perfluoroalkoxy alkanes film onto any layer of a 3D printed object. This transfer can be achieved using the self-adhesion of 3D printing materials or applying additional adhesive. We demonstrated this method by transferring Aerosol Jet® printed strain sensors into parts fabricated by PolyJet™ printing. This report provides an investigation and discussion on the sensitivity, reliability, and influence embedding the sensor has on mechanical properties.

  18. Direct Observation of Three-dimensional Electroconvective Vortices on a Charge Selective Surface

    NASA Astrophysics Data System (ADS)

    Kwak, Rhokyun; Han, Jongyoon; Lee, Taikjin; Kwak, Ho-Young

    2015-11-01

    We present a visualization of three-dimensional electroconvective vortices (EC) by ion concentration polarization (ICP) on a cation selective membrane. The vortices are initiated between two transparent Nafion membranes under no-shear/shear conditions with various applied voltages and flow velocities. Fluorescent imaging and spatial Fourier transform allow us to capture vortex structures. In this 3-D system, EC shows three distinguished structures: i) polygonal shapes with no-shear and ii) transverse and/or iii) longitudinal vortex rolls with shear flow, which is reminiscent of 3-D Rayleigh-Benard instability. Under shear flow, as flow velocity (Reynolds number: Re) increases or voltage (electric Rayleigh number: Ra) decreases, pure longitudinal vortices are presented; in the inverse case, transverse vortices are also formed. It is noteworthy that if we confine EC in quasi 2-D system with high Ra (>10,000), we obtain pure transverse vortices; high Ra induces chaotic EC in this 3-D system, instead of 2-D stable transverse vortices. To the best of our knowledge, this is the first direct observation of 3-D EC, which will occur in realistic electrochemical devices, e.g. electrodialysis.

  19. Anisotropic characteristics of the kraichnan direct cascade in two-dimensional hydrodynamic turbulence

    NASA Astrophysics Data System (ADS)

    Kuznetsov, E. A.; Sereshchenko, E. V.

    2015-12-01

    The statistical characteristics of the Kraichnan direct cascade for two-dimensional hydrodynamic turbulence are numerically studied (with spatial resolution 8192 × 8192) in the presence of pumping and viscous-like damping. It is shown that quasi-shocks of vorticity and their Fourier partnerships in the form of jets introduce an essential influence in turbulence leading to strong angular dependencies for correlation functions. The energy distribution as a function of modulus k for each angle in the inertial interval has the Kraichnan behavior, ~ k -4, and simultaneously a strong dependence on angles. However, angle average provides with a high accuracy the Kraichnan turbulence spectrum E k = C Kη2/3k-3, where η is the enstrophy flux and the Kraichnan constant C K ≃ 1.3, in correspondence with the previous simulations. Familiar situation takes place for third-order velocity structure function S 3 L which, as for the isotropic turbulence, gives the same scaling with respect to the separation length R and η, S 3 L = C 3η R 3, but the average over the angles and time differs from its isotropic value.

  20. Action Direction of Muscle Synergies in Three-Dimensional Force Space

    PubMed Central

    Hagio, Shota; Kouzaki, Motoki

    2015-01-01

    Redundancy in the musculoskeletal system was supposed to be simplified by muscle synergies, which modularly organize muscles. To clarify the underlying mechanisms of motor control using muscle synergies, it is important to examine the spatiotemporal contribution of muscle synergies in the task space. In this study, we quantified the mechanical contribution of muscle synergies as considering spatiotemporal correlation between the activation of muscle synergies and endpoint force fluctuations. Subjects performed isometric force generation in the three-dimensional force space. The muscle-weighting vectors of muscle synergies and their activation traces across different trials were extracted from electromyogram data using decomposing technique. We then estimated mechanical contribution of muscle synergies across each trial based on cross-correlation analysis. The contributing vectors were averaged for all trials, and the averaging was defined as action direction (AD) of muscle synergies. As a result, we extracted approximately five muscle synergies. The ADs of muscle synergies mainly depended on the anatomical functions of their weighting muscles. Furthermore, the AD of each muscle indicated the synchronous activation of muscles, which composed of the same muscle synergy. These results provide the spatiotemporal characteristics of muscle synergies as neural basis. PMID:26618156

  1. Two Dimensional Simulations of Plastic-Shell, Direct-Drive Implosions on OMEGA

    SciTech Connect

    Radha, P B; Goncharov, V N; Collins, T B; Delettrez, J A; Elbaz, Y; Glebov, V Y; Keck, R L; Keller, D E; Knauer, J P; Marozas, J A; Marshall, F J; McKenty, P W; Meyerhofer, D D; Regan, S P; Sangster, T C; Shvarts, D; Skupsky, S; Srebro, Y; Town, R J; Stoeckl, C

    2004-09-27

    Multidimensional hydrodynamic properties of high-adiabat direct-drive plastic-shell implosions on the OMEGA laser system [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] are investigated using the multidimensional hydrodynamic code, DRACO. Multimode simulations including the effects of nonuniform illumination and target roughness indicate that shell stability during the acceleration phase plays a critical role in determining target performance. For thick shells that remain integral during the acceleration phase, target yields are significantly reduced by the combination of the long-wavelength ({ell} < 10) modes due to surface roughness and beam imbalance and the intermediate modes (20 {le} {ell} {le} 50) due to single-beam nonuniformities. The neutron-production rate for these thick shells truncates relative to one-dimensional (1-D) predictions. The yield degradation in the thin shells is mainly due to shell breakup at short wavelengths ({lambda} {approx} {Delta}, where {Delta} is the in-flight shell thickness). The neutron-rate curves for the thinner shells have significantly lower amplitudes and a fall-off that is less steep than 1-D rates. DRACO simulation results are consistent with experimental observations.

  2. Direct fabrication of high-resolution three-dimensional polymeric scaffolds using electrohydrodynamic hot jet plotting

    NASA Astrophysics Data System (ADS)

    Wei, Chuang; Dong, Jingyan

    2013-02-01

    This paper presents the direct three-dimensional (3D) fabrication of polymer scaffolds with sub-10 µm structures using electrohydrodynamic jet (EHD-jet) plotting of melted thermoplastic polymers. Traditional extrusion-based fabrication approaches of 3D periodic porous structures are very limited in their resolution, due to the excessive pressure requirement for extruding highly viscous thermoplastic polymers. EHD-jet printing has become a high-resolution alternative to other forms of nozzle deposition-based fabrication approaches by generating micro-scale liquid droplets or a fine jet through the application of a large electrical voltage between the nozzle and the substrate. In this study, we successfully apply EHD-jet plotting technology with melted biodegradable polymer (polycaprolactone, or PCL) for the fabrication of 2D patterns and 3D periodic porous scaffold structures in potential tissue engineering applications. Process conditions (e.g. electrical voltage, pressure, plotting speed) have been thoroughly investigated to achieve reliable jet printing of fine filaments. We have demonstrated for the first time that the EHD-jet plotting process is capable of the fabrication of 3D periodic structures with sub-10 µm resolution, which has great potential in advanced biomedical applications, such as cell alignment and guidance.

  3. Direct Numerical Simulation of Particle Behaviour in a Gas-Solid Three Dimensional Plane Jet

    SciTech Connect

    Qazi, N. A.; Tang, J. C. K.; Hawkes, E. R.; Yeoh, G. H.; Grout, Ray W.; Sitaraman, Hariswaran; Talei, M.; Taylor, R. A.; Bolla, M.; Wang, H.

    2014-12-08

    In this paper, direct numerical simulations (DNS) of a three-dimensional (3D), non-reacting, temporally evolving planar jet laden with mono-dispersed solid particles in the two-way coupling (TWC) regime are performed. Three different particles Stokes numbers (St = 0.1, 1, 10) have been considered. This has been achieved by varying the particle diameter while keeping the particle mass loading (fm = 1) and the jet Reynolds number (Rejet = 2000) unchanged. The objective is to study the effect of the particle Stokes number TWC regime on the temporal development of the planar jet. Two-way coupled momentum and heat transfer has been studied by investigating mean relative velocity and temperature. Results indicate that the relative parameters are more pronounced on the edges of the jet and decrease in time in general. At the center of the jet however, the mean value first increases and then decreases again. Additionally, lighter particles spread farther than heavier particles from the center of the jet. Furthermore, the heavier particles delay the development of the jet due to TWC effects.

  4. Two-dimensional two-phase thermal model for passive direct methanol fuel cells

    NASA Astrophysics Data System (ADS)

    Chen, R.; Zhao, T. S.; Yang, W. W.; Xu, C.

    A two-dimensional two-phase thermal model is presented for direct methanol fuel cells (DMFC), in which the fuel and oxidant are fed in a passive manner. The inherently coupled heat and mass transport, along with the electrochemical reactions occurring in the passive DMFC is modeled based on the unsaturated flow theory in porous media. The model is solved numerically using a home-written computer code to investigate the effects of various operating and geometric design parameters, including methanol concentration as well as the open ratio and channel and rib width of the current collectors, on cell performance. The numerical results show that the cell performance increases with increasing methanol concentration from 1.0 to 4.0 M, due primarily to the increased operating temperature resulting from the exothermic reaction between the permeated methanol and oxygen on the cathode and the increased mass transfer rate of methanol. It is also shown that the cell performance upgrades with increasing the open ratio and with decreasing the rib width as the result of the increased mass transfer rate on both the anode and cathode.

  5. Direct numerical simulation of a turbulent pipe with systematically varied three-dimensional roughness

    NASA Astrophysics Data System (ADS)

    Chan, Leon; MacDonald, Michael; Chung, Daniel; Hutchins, Nicholas; Ooi, Andrew

    2014-11-01

    Direct Numerical Simulations (DNS) are conducted at low to medium Reynolds numbers for a turbulent pipe flow with roughness. The roughness, which is comprised of three-dimensional sinusoidal elements, causes a downward shift in the mean velocity profile known as the Hama roughness function ΔU+ . In engineering applications, ΔU+ (which is related to the coefficient of drag Cf) is an important parameter as it is used to quantify the increase in drag and the decrease in efficiency. To have a better understanding of roughness and how it affects the flow, a range of numerical studies were conducted where the roughness height h+, wavelength λ+ and Reynolds number of the flow are varied. For the range of cases simulated, it is found that the roughness average height ka+ (which is proportional to h+) is strongly correlated to the roughness function ΔU+ whereas λ+ has a weaker influence on the flow. Results from simulations of more complicated surfaces comprised of two superimposed modes of different wavelength are also presented. Analysis of the turbulence statistics convincingly supports Townsend's outer-layer hypothesis for all of the cases simulated.

  6. Error analysis of a direct current electromagnetic tracking system in digitizing 3-dimensional surface geometries.

    PubMed

    Milne, A D; Lee, J M

    1999-01-01

    The direct current electromagnetic tracking device has seen increasing use in biomechanics studies of joint kinematics and anatomical surface geometry. In these applications, a stylus is attached to a sensor to measure the spatial location of three-dimensional landmarks. Stylus calibration is performed by rotating the stylus about a fixed point in space and using regression analysis to determine the tip offset vector. Measurement errors can be induced via several pathways, including; intrinsic system errors in sensor position or angle and tip offset calibration errors. A detailed study was performed to determine the errors introduced in digitizing small surfaces with different stylus lengths (35, 55, and 65 mm) and approach angles (30 and 45 degrees) using a plastic calibration board and hemispherical models. Two-point discrimination errors increased to an average of 1.93 mm for a 254 mm step size. Rotation about a single point produced mean errors of 0.44 to 1.18 mm. Statistically significant differences in error were observed with increasing approach angles (p < 0.001). Errors of less than 6% were observed in determining the curvature of a 19 mm hemisphere. This study demonstrates that the "Flock of Birds" can be used as a digitizing tool with accuracy better than 0.76% over 254 mm step sizes. PMID:11143353

  7. Direct observation of melting in a two-dimensional driven granular system

    NASA Astrophysics Data System (ADS)

    Sun, Xiaoyan; Li, Yang; Ma, Yuqiang; Zhang, Zexin

    2016-04-01

    Melting is considered to be one of the most fundamental problems in physical science. Generally, dimensionality plays an important role in melting. In three-dimension, it’s well known that a crystal melts directly into a liquid via a first-order transition. In two-dimension (2D), however, the melting process has been widely debated whether it is a first-order transition or a two-step transition with an intermediate hexatic phase. Experimentally 2D melting has been intensively studied in equilibrium systems such as molecular and colloidal crystals, but rarely been explored in non-equilibrium system such as granular materials. In this paper, we experimentally studied the 2D melting in a driven granular model system at single particle level using video recording and particle tracking techniques. Measurements of orientational/translational correlation functions show evidences that the melting is a two-step transition. A novel concept of orientational/translational susceptibilities enable us to clearly resolve the intermediate hexatic phase. Our results are in excellent agreement with the two-step melting scenario predicted by KTHNY theory, and demonstrate that the KTHNY melting scenario can be extended to non-equilibrium systems.

  8. Stable Direct Adaptive Control of Linear Infinite-dimensional Systems Using a Command Generator Tracker Approach

    NASA Technical Reports Server (NTRS)

    Balas, M. J.; Kaufman, H.; Wen, J.

    1985-01-01

    A command generator tracker approach to model following contol of linear distributed parameter systems (DPS) whose dynamics are described on infinite dimensional Hilbert spaces is presented. This method generates finite dimensional controllers capable of exponentially stable tracking of the reference trajectories when certain ideal trajectories are known to exist for the open loop DPS; we present conditions for the existence of these ideal trajectories. An adaptive version of this type of controller is also presented and shown to achieve (in some cases, asymptotically) stable finite dimensional control of the infinite dimensional DPS.

  9. Direct calculation of wall interferences and wall adaptation for two-dimensional flow in wind tunnels with closed walls

    NASA Technical Reports Server (NTRS)

    Amecke, Juergen

    1986-01-01

    A method for the direct calculation of the wall induced interference velocity in two dimensional flow based on Cauchy's integral formula was derived. This one-step method allows the calculation of the residual corrections and the required wall adaptation for interference-free flow starting from the wall pressure distribution without any model representation. Demonstrated applications are given.

  10. Rear actomyosin contractility-driven directional cell migration in three-dimensional matrices: a mechano-chemical coupling mechanism

    PubMed Central

    Chi, Qingjia; Yin, Tieying; Gregersen, Hans; Deng, Xiaoyan; Fan, Yubo; Zhao, Jingbo; Liao, Donghua; Wang, Guixue

    2014-01-01

    Cell migration is of vital importance in many biological processes, including organismal development, immune response and development of vascular diseases. For instance, migration of vascular smooth muscle cells from the media to intima is an essential part of the development of atherosclerosis and restenosis after stent deployment. While it is well characterized that cells use actin polymerization at the leading edge to propel themselves to move on two-dimensional substrates, the migration modes of cells in three-dimensional matrices relevant to in vivo environments remain unclear. Intracellular tension, which is created by myosin II activity, fulfils a vital role in regulating cell migration. We note that there is compelling evidence from theoretical and experimental work that myosin II accumulates at the cell rear, either isoform-dependent or -independent, leading to three-dimensional migration modes driven by posterior myosin II tension. The scenario is not limited to amoeboid migration, and it is also seen in mesenchymal migration in which a two-dimensional-like migration mode based on front protrusions is often expected, suggesting that there may exist universal underlying mechanisms. In this review, we aim to shed some light on how anisotropic myosin II localization induces cell motility in three-dimensional environments from a biomechanical view. We demonstrate an interesting mechanism where an interplay between mechanical myosin II recruitment and biochemical myosin II activation triggers directional migration in three-dimensional matrices. In the case of amoeboid three-dimensional migration, myosin II first accumulates at the cell rear to induce a slight polarization displayed as a uropod-like structure under the action of a tension-dependent mechanism. Subsequent biochemical signalling pathways initiate actomyosin contractility, producing traction forces on the adhesion system or creating prominent motile forces through blebbing activity, to drive cells

  11. Three-Dimensional Viscous Alternating Direction Implicit Algorithm and Strategies for Shape Optimization

    NASA Technical Reports Server (NTRS)

    Pandya, Mohagna J.; Baysal, Oktay

    1997-01-01

    A gradient-based shape optimization based on quasi-analytical sensitivities has been extended for practical three-dimensional aerodynamic applications. The flow analysis has been rendered by a fully implicit, finite-volume formulation of the Euler and Thin-Layer Navier-Stokes (TLNS) equations. Initially, the viscous laminar flow analysis for a wing has been compared with an independent computational fluid dynamics (CFD) code which has been extensively validated. The new procedure has been demonstrated in the design of a cranked arrow wing at Mach 2.4 with coarse- and fine-grid based computations performed with Euler and TLNS equations. The influence of the initial constraints on the geometry and aerodynamics of the optimized shape has been explored. Various final shapes generated for an identical initial problem formulation but with different optimization path options (coarse or fine grid, Euler or TLNS), have been aerodynamically evaluated via a common fine-grid TLNS-based analysis. The initial constraint conditions show significant bearing on the optimization results. Also, the results demonstrate that to produce an aerodynamically efficient design, it is imperative to include the viscous physics in the optimization procedure with the proper resolution. Based upon the present results, to better utilize the scarce computational resources, it is recommended that, a number of viscous coarse grid cases using either a preconditioned bi-conjugate gradient (PbCG) or an alternating-direction-implicit (ADI) method, should initially be employed to improve the optimization problem definition, the design space and initial shape. Optimized shapes should subsequently be analyzed using a high fidelity (viscous with fine-grid resolution) flow analysis to evaluate their true performance potential. Finally, a viscous fine-grid-based shape optimization should be conducted, using an ADI method, to accurately obtain the final optimized shape.

  12. Direct and Large Eddy Simulations of Three Dimensional Round Turbulent Jets

    NASA Astrophysics Data System (ADS)

    Lienau, Jeffrey Jay

    1994-01-01

    The turbulent flow in a spatially developing three dimensional incompressible round jet is simulated numerically. High order accurate finite difference methods are developed using compact differencing with formal accuracy varying from second to seventh order in the spatial directions. A large eddy simulation model is used to simulate the effect of the unresolved part of the motion. The spatially developing flow in a round jet is computed starting with the inviscid solution and structural and statistical properties of the flow are established. The Kelvin-Helmholtz instability is induced with small disturbances at the jet pipe. The vortex sheet rolls up into rings that interact and produce a variety of structures. The structures emerging in the development of the flow are analyzed using the local and global properties of kinetic energy and vorticity. It is found that the dynamics of breakdown in the round turbulent jet consists of four mechanisms. The first is the evolution of the vortex rings via the Kelvin Helmholtz instability. The second is the instability of the vorticity between the rings which develops into the braid region. The third is the interaction of the braids with the rings and the final is the transition to turbulent flow. The transport of particles is simulated numerically in the round turbulent jet. The particles investigated were the fluid particles, hexadecane particles ranging in size from 35 to 160 μm and vaporizing pentane particles in both heated and non-heated environments. For the heated environments, limiting cases of zero and infinite heat conductivity within the droplet were investigated. Particle dispersion, time of flight, average velocity and droplet diameter are presented for the first sixty diameters of the jet and compared to experimental data. The comparisons are good which provides support for the computational results.

  13. Direct and large eddy simulations of three dimensional round turbulent jets

    NASA Astrophysics Data System (ADS)

    Lienau, Jeffrey Jay

    1994-01-01

    The turbulent flow in a spatially developing three dimensional incompressible round jet is simulated numerically. High order accurate finite difference methods are developed using compact differencing with formal accuracy varying from second to seventh order in the spatial directions. A large eddy simulation model is used to simulate the effect of the unresolved part of the motion. The spatially developing flow in a round jet is computed starting with the inviscid solution and structural and statistical properties of the flow are established. The Kelvin-Helmholtz instability is induced with small disturbances at the jet pipe. The vortex sheet rolls up into rings that interact and produce a variety of structures. The structures emerging in the development of the flow are analyzed using the local and global properties of kinetic energy and vorticity. It is found that the dynamics of breakdown in the round turbulent jet consists of four mechanisms. The first is the evolution of the vortex rings via the Kelvin Helmholtz instability. The second is the instability of the vorticity between the rings which develops into the braid region. The third is the interaction of the braids with the rings and the final is the transition to turbulent flow. The transport of particles is simulated numerically in the round turbulent jet. The particles investigated were the fluid particles, hexadecane particles ranging in size from 35 to 160 micrometers and vaporizing pentane particles in both heated and nonheated environments. For the heated environments, limiting cases of zero and infinite heat conductivity within the droplet were investigated. Particle dispersion time of flight, average velocity and droplet diameter are presented for the first sixty diameters of the jet and compared to experimental data. The comparisons are good which provides support for the computational results.

  14. Three-Dimensional Stereoscopic Tracking Velocimetry and Experimental/Numerical Comparison of Directional Solidification

    NASA Technical Reports Server (NTRS)

    Lee, David; Ge, Yi; Cha, Soyoung Stephen; Ramachandran, Narayanan; Rose, M. Franklin (Technical Monitor)

    2001-01-01

    Measurement of three-dimensional (3-D) three-component velocity fields is of great importance in both ground and space experiments for understanding materials processing and fluid physics. The experiments in these fields most likely inhibit the application of conventional planar probes for observing 3-D phenomena. Here, we present the investigation results of stereoscopic tracking velocimetry (STV) for measuring 3-D velocity fields, which include diagnostic technology development, experimental velocity measurement, and comparison with analytical and numerical computation. STV is advantageous in system simplicity for building compact hardware and in software efficiency for continual near-real-time monitoring. It has great freedom in illuminating and observing volumetric fields from arbitrary directions. STV is based on stereoscopic observation of particles-Seeded in a flow by CCD sensors. In the approach, part of the individual particle images that provide data points is likely to be lost or cause errors when their images overlap and crisscross each other especially under a high particle density. In order to maximize the valid recovery of data points, neural networks are implemented for these two important processes. For the step of particle overlap decomposition, the back propagation neural network is utilized because of its ability in pattern recognition with pertinent particle image feature parameters. For the step of particle tracking, the Hopfield neural network is employed to find appropriate particle tracks based on global optimization. Our investigation indicates that the neural networks are very efficient and useful for stereoscopically tracking particles. As an initial assessment of the diagnostic technology performance, laminar water jets with and without pulsation are measured. The jet tip velocity profiles are in good agreement with analytical predictions. Finally, for testing in material processing applications, a simple directional solidification

  15. Modified ambient template-directed synthesis, characterization and applications of one-dimensional nanomaterials

    NASA Astrophysics Data System (ADS)

    Zhang, Fen

    2009-12-01

    Nanomaterials have attracted considerable attention due to their unique physical properties and potential applications as building blocks in nanoscale devices. In particular, the intrinsic anisotropy inherent in one-dimensional (1D) nanomaterials renders them the smallest dimension structures that can be utilized for the efficient transport of electron and optical excitation. The template-directed synthesis technique represents the most straightforward and versatile route for achieving 1D growth. However, there are still challenges including (1) the development of an environmentally-friendly synthetic method, (2) a deep understanding of the relationship between size, composition, and physical properties in 1D nanostructures, (3) the design of 1D nanomaterials with novel properties, and (4) the application of 1D nanostructures in various fields, such as energy, catalysis, and biotechnology. Hence, the synthesis and characterization of 1D nanostructures, as well as the complementary study of the novel properties and potential applications of the resulting nanomaterials have been the focal points of my graduate study. Specifically, a modified template-directed technique has been developed, using a double-diffusion setup via a biomimetic crystallization process, which has enabled the successful preparation of various single-crystalline 1D nanostructures, including fluorides, tungstates, sulfides, and phosphates, under ambient, room-temperature conditions, without using either very harmful precursors or solvents, and without generating particularly toxic byproducts. The family of alkaline-earth metal binary and perovskite ternary fluoride nanowires, doped with rare-earth ions, has displayed unique luminescence properties, with applications in optical devices. In addition, the generation of tungstate solid solution 1D nanostructures provides for a fundamental understanding of composition-modulated luminescence properties, leading to key structure-property correlations. A

  16. Two-directional two-dimensional modified Fisher principal component analysis: an efficient approach for thermal face verification

    NASA Astrophysics Data System (ADS)

    Wang, Ning; Li, Qiong; El-Latif, Ahmed A. Abd; Peng, Jialiang; Niu, Xiamu

    2013-04-01

    In recent years, verification based on thermal face images has been extensively studied because of its invariance to illumination and immunity to forgery. However, most of them have not given full consideration to high-verification performance and singular within-class scatter matrix problems. We propose a novel thermal face verification algorithm, which is named two-directional two-dimensional modified Fisher principal component analysis. First, two-dimensional principal component analysis (2-DPCA) is utilized to extract the optimal projective vector in the row direction. Then, 2-D modified Fisher linear discriminant analysis is implemented to overcome the singular within-class scatter matrix problem of the 2-DPCA space in the column direction. Comparative experiments on the natural visible and infrared facial expression thermal face subdatabase demonstrate that the proposed approach outperforms state-of-the-art methods in terms of verification performance.

  17. Preston tube calibrations and direct force floating element measurements in a two-dimensional turbulent boundary layer

    NASA Technical Reports Server (NTRS)

    Mcallister, J. E.; Tennant, M. H.; Pierce, F. J.

    1982-01-01

    Preston tubes provide a convenient means of estimating local wall shear stress. Practical difficulties arise from a lack of calibration data obtained in turbulent boundary layer flows and from the wide choice of calibration equations available mainly from pipe flow calibrations. The results of an experimental study comparing a large number of direct force local wall shear stress measurements in a near-zero pressure gradient two-dimensional turbulent boundary layer flow are presented. The results indicate that there is consistent and excellent agreement between the Patel intermediate calibration formula and the direct force measurements. Typical differences among the direct force measurements and several other proposed calibration equations are also shown.

  18. Ultra-directional source of longitudinal acoustic waves based on a two-dimensional solid/solid phononic crystal

    SciTech Connect

    Morvan, B.; Tinel, A.; Sainidou, R.; Rembert, P.; Vasseur, J. O.; Hladky-Hennion, A.-C.; Swinteck, N.; Deymier, P. A.

    2014-12-07

    Phononic crystals (PC) can be used to control the dispersion properties of acoustic waves, which are essential to direct their propagation. We use a PC-based two-dimensional solid/solid composite to demonstrate experimentally and theoretically the spatial filtering of a monochromatic non-directional wave source and its emission in a surrounding water medium as an ultra-directional beam with narrow angular distribution. The phenomenon relies on square-shaped equifrequency contours (EFC) enabling self-collimation of acoustic waves within the phononic crystal. Additionally, the angular width of collimated beams is controlled via the EFC size-shrinking when increasing frequency.

  19. Cascade Cyclizations of Acyclic and Macrocyclic Alkynones: Studies toward the Synthesis of Phomactin A

    PubMed Central

    Ciesielski, Jennifer; Gandon, Vincent; Frontier, Alison J.

    2013-01-01

    A study of the reactivity and diastereoselectivity of the Lewis acid-promoted cascade cyclizations of both acyclic and macrocyclic alkynones is described. In these reactions, a β-iodoallenolate intermediate is generated via conjugate addition of iodide to an alkynone, followed by an intramolecular aldol reaction with a tethered aldehyde to afford a cyclohexenyl alcohol. The Lewis acid magnesium iodide (MgI2) was found to promote irreversible ring closure, while cyclizations using BF3·OEt2 as promoter occurred reversibly. For both acyclic and macrocyclic ynones, high diastereoselectivity was observed in the intramolecular aldol reaction. The MgI2 protocol for cyclization was applied to the synthesis of advanced intermediates relevant to the synthesis of phomactin natural products, during which a novel transannular cation-olefin cyclization was observed. DFT calculations were conducted to analyze the mechanism of this unusual MgI2-promoted process. PMID:23724905

  20. Acyclic monoterpenes in tree essential oils as a shrinking agent for waste-expanded polystyrene.

    PubMed

    Shimotori, Yasutaka; Hattori, Kazuyuki; Aoyama, Masakazu; Miyakoshi, Tetsuo

    2011-01-01

    We examined the dissolution of polystyrene (PS) into acyclic monoterpenes present in tree essential oils, to develop an environmentally friendly shrinking agent for waste-expanded polystyrene (EPS). The dissolving powers of geranyl acetate, geranylacetone, and geranyl formate [221.8-241.2 g PS (100 g solvent)(-1)] compared favorably with that of (R)-limonene [181.7 g PS (100 g solvent)(-1)]. Their favorable dissolving powers for PS can be explained by their flexible linear structures, which may be more accessible to the inside of bulk PS compared with cyclic monoterpenes. These acyclic monoterpenes and PS were recovered almost quantitatively by simple steam distillation of the PS solution. PMID:21644162

  1. Regulation of the survival and differentiation of hepatic stem/progenitor cells by acyclic retinoid.

    PubMed

    Kamiya, Akihide

    2015-01-01

    During embryonic liver development, hepatic stem/progenitor cells (HpSCs) have a high proliferative ability and bipotency to differentiate into hepatocytes and cholangiocytes. Retinoic acid is a derivative of vitamin A and is involved in the proliferation and differentiation of stem/progenitor cells in several tissues. However, whether retinoic acid regulates the characteristics of HpSCs in the normal liver is still unknown. A recent study has shown that acyclic retinoid regulates the survival and proliferation of HpSCs derived from mouse foetal liver. Acyclic retinoid suppressed the expansion of CD29(+)CD49f(+) HpSCs through the induction of hepatocytic differentiation and progression of apoptosis. PMID:26021438

  2. [Synthesis of acyclic 1,3-polyols and its application to structural study of natural products].

    PubMed

    Mori, Y

    1993-06-01

    A 1,3-polyhydroxylated chain is often found on the backbone of biologically important natural products. The acyclic nature and the regular array of many hydroxyl groups are main obstacles to structural and synthetic studies, and many efforts have been made to this end. We have developed a new general synthetic method of 1,3-polyols based on the coupling of a chiral dithiane, a four-carbon unit, and an epoxide, followed by 1,3-diastereoselective reduction. We applied the method to the synthesis of polymethoxy-1-alkenes isolated from blue-green algae to establish their absolute stereochemistry. Moreover, a general procedure for assigning the absolute stereochemistry of acyclic 1,3-polyols by the difference circular dichroism (CD) method have been established. Combination of the method and a reiterative degradation enables one to determine the absolute configuration of 1,3-polyols, even if the relative stereochemistry is unknown. PMID:8355146

  3. Triphosgene-Pyridine Mediated Stereoselective Chlorination of Acyclic Aliphatic 1,3-Diols†

    PubMed Central

    Villalpando, Andrés; Saputra, Mirza A.; Tugwell, Thomas H.; Kartika, Rendy

    2015-01-01

    We describe a strategy to chlorinate stereocomplementary acyclic aliphatic 1,3-diols using a mixture of triphosgene and pyridine. While 1,3-anti diols readily led to 1,3-anti dichlorides, 1,3-syn diols must be converted to 1,3-syn diol monosilylethers to access the corresponding 1,3-syn dichlorides. These dichlorination protocols were operationally simple, very mild, and readily tolerated by advanced synthetic intermediates. PMID:26323232

  4. An analysis of lower-dimensional approximations to the scalar dissipation rate using direct numerical simulations of plane jet flames

    SciTech Connect

    Chen, Jackie; Sankaran, Ramanan; Hawkes, Evatt R

    2009-05-01

    The difficulty of experimental measurements of the scalar dissipation rate in turbulent flames has required researchers to estimate the true three-dimensional (3D) scalar dissipation rate from one-dimensional (1D) or two-dimensional (2D) gradient measurements. In doing so, some relationship must be assumed between the true values and their lower dimensional approximations. We develop these relationships by assuming a form for the statistics of the gradient vector orientation, which enables several new results to be obtained and the true 3D scalar dissipation PDF to be reconstructed from the lower-dimensional approximations. We use direct numerical simulations (DNS) of turbulent plane jet flames to examine the orientation statistics, and verify our assumptions and final results. We develop and validate new theoretical relationships between the lower-dimensional and true moments of the scalar dissipation PDF assuming a log-normal true PDF. We compare PDFs reconstructed from lower-dimensional gradient projections with the true values and find an excellent agreement for a 2D simulated measurement and also for a 1D simulated measurement perpendicular to the mean flow variations. Comparisons of PDFs of thermal dissipation from DNS with those obtained via reconstruction from 2D experimental measurements show a very close match, indicating this PDF is not unique to a particular flame configuration. We develop a technique to reconstruct the joint PDF of the scalar dissipation and any other scalar, such as chemical species or temperature. Reconstructed conditional means of the hydroxyl mass fraction are compared with the true values and an excellent agreement is obtained.

  5. Fabrication of three-dimensional microfluidic channels inside glass using nanosecond laser direct writing.

    PubMed

    Liu, Changning; Liao, Yang; He, Fei; Shen, Yinglong; Chen, Danping; Cheng, Ya; Xu, Zhizhan; Sugioka, Koji; Midorikawa, Katsumi

    2012-02-13

    We show that fabrication of three-dimensional microfluidic channels embedded in glass can be achieved by using a Q-switched, frequency-doubled Nd:YAG laser. The processing mainly consists of two steps: (1) formation of hollow microfluidic channels in porous glass immersed in Rhodamine 6G dissolved in water by nanosecond laser ablation; and (2) postannealing of the fabricated porous glass sample at 1120 °C for consolidation of the sample. In particular, a bilayer microfluidic structure is created in glass substrate using this technique for showcasing its capability of three-dimensional structuring. PMID:22418188

  6. Anti-EGFRvIII monoclonal antibody armed with 177Lu: in vivo comparison of macrocyclic and acyclic ligands

    PubMed Central

    Hens, Marc; Vaidyanathan, Ganesan; Zhao, Xiao-Guang; Bigner, Darell D.; Zalutsky, Michael R.

    2010-01-01

    Introduction Monoclonal antibody (mAb) L8A4 binds specifically to the epidermal growth factor receptor variant III (EGFRvIII) that is present on gliomas but not normal tissues, and is internalized rapidly after receptor binding. Because of the short range of its β-emissions, labeling this mAb with177Lu would be an attractive approach for the treatment of residual tumor margins remaining after surgical debulking of brain tumors. Materials and Methods L8A4 mAb was labeled with 177Lu using the acyclic ligands [(R)-2-Amino-3-(4-isothiocyanatophenyl)propyl]-trans-(S,S)-cyclohexane-1,2-diamine- pentaacetic acid (CHX-A″-DTPA) and 2-(4-Isothiocyanatobenzyl)-6-methyldiethylene- triaminepentaacetic acid (1B4M-DTPA), and the macrocyclic ligands S-2-(4- Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-tetraacetic acid (C-DOTA) and α-(5-isothiocyanato-2-methoxyphenyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10- tetraacetic acid (MeO-DOTA). Paired-label tissue distribution experiments were performed in athymic mice bearing subcutaneous EGFRvIII-expressing U87.)EGFR glioma xenografts over a period of 1 to 8 days to directly compare 177Lu-labeled L8A4 to L8A4 labeled with 125I using N-succinimidyl 4-guanidinomethyl-3-[125I]iodobenzoate ([125I]SGMIB). Results Except with C-DOTA, tumor uptake for the 177Lu-labeled mAb was significantly higher than the co-administered radioiodinated preparation; however, this was also the case for spleen, liver, bone and kidneys. Tumor:normal tissue ratios for 177Lu-1B4M-DTPA-L8A4 and to an even greater extent, 177Lu-MeO-DOTA-L8A4, were higher than those for [125I]SGMIB-L8A4 in most other tissues. Conclusions Tumor and normal tissue distribution patterns for this anti-EGFRvIII mAb were dependent on the nature of the bifunctional chelate used for 177Lu labeling. Optimal results were obtained with 1B4M-DTPA and MeO-DOTA, suggesting no clear advantage for acyclic vs. macrocyclic ligands for this application. PMID:20870149

  7. On the direct insulator-quantum Hall transition in two-dimensional electron systems in the vicinity of nanoscaled scatterers

    PubMed Central

    2011-01-01

    A direct insulator-quantum Hall (I-QH) transition corresponds to a crossover/transition from the insulating regime to a high Landau level filling factor ν > 2 QH state. Such a transition has been attracting a great deal of both experimental and theoretical interests. In this study, we present three different two-dimensional electron systems (2DESs) which are in the vicinity of nanoscaled scatterers. All these three devices exhibit a direct I-QH transition, and the transport properties under different nanaoscaled scatterers are discussed. PMID:21711637

  8. Projection of two-dimensional diffusion in narrow asymmetric channels onto the longitudinal direction

    SciTech Connect

    Pineda, Inti; Dagdug, Leonardo

    2014-01-14

    Diffusive transport of particles is a ubiquitous feature of physical, chemical and biological systems. Typical structures like pores, tubes or fibers, are quasi one-dimensional, such that we need to solve 2+1 or 3+1 dimensional differential equations to describe correctly transport along them. The so-called Fick-Jacobs approach dramatically simplifies the problem if one assumes that a solute distribution in any cross-section of the channel is uniform at equilibrium. That study focuses on the mapping of the diffusion equation in a two-dimensional narrow asymmetric channel of varying cross section onto the longitudinal coordinate. We present a generalization to the case of an asymmetric channel using the projection method introduced earlier by Kalinay and Percus. We derive an expansion of the effective diffusion coefficient, which represents corrections to the Fick-Jacobs equation and contains the well-known previous results as special cases. Finally, we study numerically some specific two-dimensional asymmetric channel configurations to test and show the broader applicability of this effective diffusion coefficient formula.

  9. Multigroup Three-Dimensional Direct Integration Method Radiation Transport Analysis Code System.

    Energy Science and Technology Software Center (ESTSC)

    1987-09-18

    Version 00 TRISTAN solves the three-dimensional, fixed-source, Boltzmann transport equation for neutrons or gamma rays in rectangular geometry. The code can solve an adjoint problem as well as a usual transport problem. TRISTAN is a suitable tool to analyze radiation shielding problems such as streaming and deep penetration problems.

  10. Acyclic monoterpene primary alcohol:NADP+ oxidoreductase of Rauwolfia serpentina cells: the key enzyme in biosynthesis of monoterpene alcohols.

    PubMed

    Ikeda, H; Esaki, N; Nakai, S; Hashimoto, K; Uesato, S; Soda, K; Fujita, T

    1991-02-01

    Acyclic monoterpene primary alcohol:NADP+ oxidoreductase, a key enzyme in the biosynthesis of monoterpene alcohols in plants, is unstable and has been only poorly characterized. However we have established conditions which stabilize the enzyme from Rauwolfia serpentina cells, and then purified it to homogeneity. It is a monomer with a molecular weight of about 44,000 and contains zinc ions. Various branched-chain allylic primary alcohols such as nerol, geraniol, and 10-hydroxygeraniol were substrates, but ethanol was inert. The enzyme exclusively requires NADP+ or NADPH as the cofactor. Steady-state kinetic studies showed that the nerol dehydrogenation proceeds by an ordered Bi-Bi mechanism. NADP+ binds the enzyme first and then NADPH is the second product released from it. Gas chromatography-mass spectrometric analysis of the reaction products showed that 10-hydroxygeraniol undergoes a reversible dehydrogenation to produce 10-oxogeraniol or 10-hydroxygeranial, which are oxidized further to give 10-oxogeranial, the direct precursor of iridodial. The enzyme has been found to exclusively transfer the pro-R hydrogen of NADPH to neral. The N-terminal sequence of the first 21 amino acids revealed no significant homology with those of various other proteins including the NAD(P)(+)-dependent alcohol dehydrogenases registered in a protein data bank. PMID:1864846

  11. Bacterial twitching motility is coordinated by a two-dimensional tug-of-war with directional memory.

    PubMed

    Marathe, Rahul; Meel, Claudia; Schmidt, Nora C; Dewenter, Lena; Kurre, Rainer; Greune, Lilo; Schmidt, M Alexander; Müller, Melanie J I; Lipowsky, Reinhard; Maier, Berenike; Klumpp, Stefan

    2014-01-01

    Type IV pili are ubiquitous bacterial motors that power surface motility. In peritrichously piliated species, it is unclear how multiple pili are coordinated to generate movement with directional persistence. Here we use a combined theoretical and experimental approach to test the hypothesis that multiple pili of Neisseria gonorrhoeae are coordinated through a tug-of-war. Based on force-dependent unbinding rates and pilus retraction speeds measured at the level of single pili, we build a tug-of-war model. Whereas the one-dimensional model robustly predicts persistent movement, the two-dimensional model requires a mechanism of directional memory provided by re-elongation of fully retracted pili and pilus bundling. Experimentally, we confirm memory in the form of bursts of pilus retractions. Bursts are seen even with bundling suppressed, indicating re-elongation from stable core complexes as the key mechanism of directional memory. Directional memory increases the surface range explored by motile bacteria and likely facilitates surface colonization. PMID:24806757

  12. Bacterial twitching motility is coordinated by a two-dimensional tug-of-war with directional memory

    NASA Astrophysics Data System (ADS)

    Marathe, Rahul; Meel, Claudia; Schmidt, Nora C.; Dewenter, Lena; Kurre, Rainer; Greune, Lilo; Alexander Schmidt, M.; Müller, Melanie J. I.; Lipowsky, Reinhard; Maier, Berenike; Klumpp, Stefan

    2014-05-01

    Type IV pili are ubiquitous bacterial motors that power surface motility. In peritrichously piliated species, it is unclear how multiple pili are coordinated to generate movement with directional persistence. Here we use a combined theoretical and experimental approach to test the hypothesis that multiple pili of Neisseria gonorrhoeae are coordinated through a tug-of-war. Based on force-dependent unbinding rates and pilus retraction speeds measured at the level of single pili, we build a tug-of-war model. Whereas the one-dimensional model robustly predicts persistent movement, the two-dimensional model requires a mechanism of directional memory provided by re-elongation of fully retracted pili and pilus bundling. Experimentally, we confirm memory in the form of bursts of pilus retractions. Bursts are seen even with bundling suppressed, indicating re-elongation from stable core complexes as the key mechanism of directional memory. Directional memory increases the surface range explored by motile bacteria and likely facilitates surface colonization.

  13. Direct observation of charge state in the quasi-one-dimensional conductor Li0.9Mo6O17.

    PubMed

    Wu, Guoqing; Ye, Xiao-shan; Zeng, Xianghua; Wu, Bing; Clark, W G

    2016-01-01

    The quasi-one-dimensional conductor Li0.9Mo6O17 has been of great interest because of its unusual properties. It has a conducting phase with properties different from a simple Fermi liquid, a poorly understood "insulating" phase as indicated by a metal-"insulator" crossover (a mystery for over 30 years), and a superconducting phase which may involve spin triplet Cooper pairs as a three-dimensional (p-wave) non-conventional superconductor. Recent evidence suggests a density wave (DW) gapping regarding the metal-"insulator" crossover. However, the nature of the DW, such as whether it is due to the change in the charge state or spin state, and its relationship to the dimensional crossover and to the spin triplet superconductivity, remains elusive. Here by performing (7)Li-/(95)Mo-nuclear magnetic resonance (NMR) spectroscopy, we directly observed the charge state which shows no signature of change in the electric field gradient (nuclear quadrupolar frequency) or in the distribution of it, thus providing direct experimental evidences demonstrating that the long mysterious metal-"insulator" crossover is not due to the charge density wave (CDW) that was thought, and the nature of the DW gapping is not CDW. This discovery opens a parallel path to the study of the electron spin state and its possible connections to other unusual properties. PMID:26853454

  14. Direct observation of charge state in the quasi-one-dimensional conductor Li0.9Mo6O17

    PubMed Central

    Wu, Guoqing; Ye, Xiao-shan; Zeng, Xianghua; Wu, Bing; Clark, W. G.

    2016-01-01

    The quasi-one-dimensional conductor Li0.9Mo6O17 has been of great interest because of its unusual properties. It has a conducting phase with properties different from a simple Fermi liquid, a poorly understood “insulating” phase as indicated by a metal-“insulator” crossover (a mystery for over 30 years), and a superconducting phase which may involve spin triplet Cooper pairs as a three-dimensional (p-wave) non-conventional superconductor. Recent evidence suggests a density wave (DW) gapping regarding the metal-“insulator” crossover. However, the nature of the DW, such as whether it is due to the change in the charge state or spin state, and its relationship to the dimensional crossover and to the spin triplet superconductivity, remains elusive. Here by performing 7Li-/95Mo-nuclear magnetic resonance (NMR) spectroscopy, we directly observed the charge state which shows no signature of change in the electric field gradient (nuclear quadrupolar frequency) or in the distribution of it, thus providing direct experimental evidences demonstrating that the long mysterious metal-“insulator” crossover is not due to the charge density wave (CDW) that was thought, and the nature of the DW gapping is not CDW. This discovery opens a parallel path to the study of the electron spin state and its possible connections to other unusual properties. PMID:26853454

  15. Direct Observation of Mode-Coupling Instability in Two-Dimensional Plasma Crystals

    SciTech Connect

    Coueedel, L.; Nosenko, V.; Ivlev, A. V.; Zhdanov, S. K.; Thomas, H. M.; Morfill, G. E.

    2010-05-14

    Dedicated experiments on melting of two-dimensional plasma crystals were carried out. The melting was always accompanied by spontaneous growth of the particle kinetic energy, suggesting a universal plasma-driven mechanism underlying the process. By measuring three principal dust-lattice wave modes simultaneously, it is unambiguously demonstrated that the melting occurs due to the resonance coupling between two of the dust-lattice modes. The variation of the wave modes with the experimental conditions, including the emergence of the resonant (hybrid) branch, reveals exceptionally good agreement with the theory of mode-coupling instability.

  16. DNA origami-directed, discrete three-dimensional plasmonic tetrahedron nanoarchitectures with tailored optical chirality.

    PubMed

    Dai, Gaole; Lu, Xuxing; Chen, Zhong; Meng, Chun; Ni, Weihai; Wang, Qiangbin

    2014-04-23

    Discrete, three-dimensional (3D) gold nanoparticle (AuNP) tetrahedron nanoarchitectures are successfully self-assembled with DNA origami as template with high purity (>85%). A distinct plasmonic chiral response is experimentally observed from the AuNP tetrahedron nanoarchitectures and appears in a configuration-dependent manner. The chiral optical properties are then rationally engineered by modifying the structural parameters including the AuNP size and interparticle distance. Theoretical study of the AuNP tetrahedron nanoarchitectures shows the dependence of the chiral optical property on the AuNP size and interparticle distance, consistent with the ensemble averaged measurements. PMID:24716524

  17. Direct Observations of Three Dimensional Growth of Hydrates Hosted in Porous Media

    SciTech Connect

    Kerkar, P.; Jones, K; Kleinberg, R; Lindquist, W; Tomov, S; Feng, H; Mahajan, D

    2009-01-01

    The visualization of time-resolved three-dimensional growth of tetrahydrofuran hydrates with glass spheres of uniform size as porous media using synchrotron x-ray computed microtomography is presented. The images of hydrate patches, formed from excess tetrahydrofuran in aqueous solution, show random nucleation and growth concomitant with grain movement but independent of container-wall effect. Away from grain surfaces, hydrate surface curvature was convex showing that liquid, not hydrate, was the wetting phase, similar to ice growth in porous media. The extension of the observed behavior to methane hydrates could have implications in understanding their role in seafloor stability and climate change.

  18. Emission of direct-gap band in germanium with Ge-GeSn layers on one-dimensional structure

    NASA Astrophysics Data System (ADS)

    Huang, Zhong-Mei; Huang, Wei-Qi; Liu, Shi-Rong; Dong, Tai-Ge; Wang, Gang; Wu, Xue-Ke; Qin, Cao-Jian

    2016-04-01

    In our experiment, it was observed that the emission of direct-gap band in germanium with Ge-GeSn layers on one-dimensional (1D) structure. The results of experiment and calculation demonstrate that the uniaxial tensile strain in the (111) and (110) direction can efficiently transform Ge to a direct bandgap material with the bandgap energy useful for technological application. It is interested that under the tensile strain from Ge-GeSn layers on 1D structure in which the uniaxial strain could be obtained by curved layer (CL) effect, the two bandgaps EΓg and ELg in the (111) direction become nearly equal at 0.83 eV related to the emission of direct-gap band near 1500 nm in the experiments. It is discovered that the red-shift of the peaks from 1500 nm to 1600 nm occurs with change of the uniaxial tensile strain, which proves that the peaks come from the emission of direct-gap band.

  19. Emission of direct-gap band in germanium with Ge-GeSn layers on one-dimensional structure.

    PubMed

    Huang, Zhong-Mei; Huang, Wei-Qi; Liu, Shi-Rong; Dong, Tai-Ge; Wang, Gang; Wu, Xue-Ke; Qin, Cao-Jian

    2016-01-01

    In our experiment, it was observed that the emission of direct-gap band in germanium with Ge-GeSn layers on one-dimensional (1D) structure. The results of experiment and calculation demonstrate that the uniaxial tensile strain in the (111) and (110) direction can efficiently transform Ge to a direct bandgap material with the bandgap energy useful for technological application. It is interested that under the tensile strain from Ge-GeSn layers on 1D structure in which the uniaxial strain could be obtained by curved layer (CL) effect, the two bandgaps EΓg and ELg in the (111) direction become nearly equal at 0.83 eV related to the emission of direct-gap band near 1500 nm in the experiments. It is discovered that the red-shift of the peaks from 1500 nm to 1600 nm occurs with change of the uniaxial tensile strain, which proves that the peaks come from the emission of direct-gap band. PMID:27097990

  20. Emission of direct-gap band in germanium with Ge-GeSn layers on one-dimensional structure

    PubMed Central

    Huang, Zhong-Mei; Huang, Wei-Qi; Liu, Shi-Rong; Dong, Tai-Ge; Wang, Gang; Wu, Xue-Ke; Qin, Cao-Jian

    2016-01-01

    In our experiment, it was observed that the emission of direct-gap band in germanium with Ge-GeSn layers on one-dimensional (1D) structure. The results of experiment and calculation demonstrate that the uniaxial tensile strain in the (111) and (110) direction can efficiently transform Ge to a direct bandgap material with the bandgap energy useful for technological application. It is interested that under the tensile strain from Ge-GeSn layers on 1D structure in which the uniaxial strain could be obtained by curved layer (CL) effect, the two bandgaps EΓg and ELg in the (111) direction become nearly equal at 0.83 eV related to the emission of direct-gap band near 1500 nm in the experiments. It is discovered that the red-shift of the peaks from 1500 nm to 1600 nm occurs with change of the uniaxial tensile strain, which proves that the peaks come from the emission of direct-gap band. PMID:27097990

  1. On Kraichnan's 'direct interaction approximation' and Kolmogoroff's theory in two-dimensional plasma turbulence

    SciTech Connect

    Kulsrud, R.M.; Sudan, R.N.

    1981-04-01

    The nonlinear damping in a strongly turbulent convecting plasma computed by Kraichnan's modified direct inteaction approximation and the power spectrum are rederived in a physically transparent form using Kolmogoroff's theory of turbulence.

  2. Three-dimensional direct numerical simulation of soot formation and transport in a temporally evolving nonpremixed ethylene jet flame

    SciTech Connect

    Lignell, David O.; Chen, Jacqueline H.; Smith, Philip J.

    2008-10-15

    Three-dimensional direct numerical simulation of soot formation with complex chemistry is presented. The simulation consists of a temporally evolving, planar, nonpremixed ethylene jet flame with a validated, 19-species reduced mechanism. A four-step, three-moment, semiempirical soot model is employed. Previous two-dimensional decaying turbulence simulations have shown the importance of multidimensional flame dynamical effects on soot concentration [D.O. Lignell, J.H. Chen, P.J. Smith, T. Lu, C.K. Law, Combust. Flame 151 (1-2) (2007) 2-28]. It was shown that flame curvature strongly impacts the diffusive motion of the flame relative to soot (which is essentially convected with the flow), resulting in soot being differentially transported toward or away from the flame zone. The proximity of the soot to the flame directly influences soot reactivity and radiative properties. Here, the analysis is extended to three dimensions in a temporal jet configuration with mean shear. Results show that similar local flame dynamic effects of strain and curvature are important, but that enhanced turbulent mixing of fuel and oxidizer streams has a first-order effect on transport of soot toward flame zones. Soot modeling in turbulent flames is a challenge due to the complexity of soot formation and transport processes and the lack of detailed experimental soot-flame-flow structural data. The present direct numerical simulation provides the first step toward providing such data. (author)

  3. Direct-referencing Two-dimensional-array Digital Microfluidics Using Multi-layer Printed Circuit Board

    PubMed Central

    Gong, Jian; Kim, Chang-Jin “CJ”

    2008-01-01

    Digital (i.e. droplet-based) microfluidics, by the electrowetting-on-dielectric (EWOD) mechanism, has shown great potential for a wide range of applications, such as lab-on-a-chip. While most reported EWOD chips use a series of electrode pads essentially in one-dimensional line pattern designed for specific tasks, the desired universal chips allowing user-reconfigurable paths would require the electrode pads in two-dimensional pattern. However, to electrically access the electrode pads independently, conductive lines need to be fabricated underneath the pads in multiple layers, raising a cost issue especially for disposable chip applications. In this article, we report the building of digital microfluidic plates based on a printed-circuit-board (PCB), in which multilayer electrical access lines were created inexpensively using mature PCB technology. However, due to its surface topography and roughness and resulting high resistance against droplet movement, as-fabricated PCB surfaces require unacceptably high (~500 V) voltages unless coated with or immersed in oil. Our goal is EWOD operations of aqueous droplets not only on oil-covered but also on dry surfaces. To meet varying levels of performances, three types of gradually complex post-PCB microfabrication processes are developed and evaluated. By introducing land-grid-array (LGA) sockets in the packaging, a scalable digital microfluidics system with reconfigurable and low-cost chip is also demonstrated. PMID:19234613

  4. Characterization of cyclic and acyclic alkanes in Forties and Kuwait petroleum crudes

    SciTech Connect

    Jones, D.W. ); Pakdel, H. ); Bartle, K.D. )

    1990-01-01

    Alkane hydrocarbon fractions from Forties (North Sea) and Kuwait petroleum crudes, separated by distillation, solvent extraction and silicagel column chromatography and sub-fractionated by molecular-sieve adsorption, have been examined by gas chromatography (GC), {sup 1}H and {sup 13}C NMR spectroscopy, GC-mass spectrometry (MS) and field desorption (FD)MS. GC indicates that Forties contains rather more acyclic isoprenoids and cyclic alkanes than Kuwait; FDMS of Kuwait shows molecular-weight ranges for mono-, di-, tri-, tetra-, and pentacyclic alkanes. {sup 13}C NMR spectra provide evidence of higher aromatic carbon, C{sub A}, in Forties than Kuwait and longer T{sub 1} relaxation times.

  5. Acyclic phosph(on)ate inhibitors of Plasmodium falciparum hypoxanthine-guanine-xanthine phosphoribosyltransferase

    PubMed Central

    Clinch, Keith; Crump, Douglas R.; Evans, Gary B.; Hazleton, Keith Z.; Mason, Jennifer M.; Schramm, Vern L.

    2013-01-01

    The pathogenic protozoa responsible for malaria lack enzymes for the de novo synthesis of purines and rely on purine salvage from the host. In Plasmodium falciparum (Pf), hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) converts hypoxanthine to inosine monophosphate and is essential for purine salvage making the enzyme an anti-malarial drug target. We have synthesized a number of simple acyclic aza-C- nucleosides and shown that some are potent inhibitors of Pf HGXPRT while showing excellent selectivity for the Pf versus the human enzyme. PMID:23810424

  6. A Practical Approach for Scalable Conjunctive Query Answering on Acyclic {EL}^+ Knowledge Base

    NASA Astrophysics Data System (ADS)

    Mei, Jing; Liu, Shengping; Xie, Guotong; Kalyanpur, Aditya; Fokoue, Achille; Ni, Yuan; Li, Hanyu; Pan, Yue

    Conjunctive query answering for {EL}^{++} ontologies has recently drawn much attention, as the Description Logic {EL}^{++} captures the expressivity of many large ontologies in the biomedical domain and is the foundation for the OWL 2 EL profile. In this paper, we propose a practical approach for conjunctive query answering in a fragment of {EL}^{++}, namely acyclic {EL}^+, that supports role inclusions. This approach can be implemented with low cost by leveraging any existing relational database management system to do the ABox data completion and query answering. We conducted a preliminary experiment to evaluate our approach using a large clinical data set and show our approach is practical.

  7. A novel intramolecular through-space interaction between F and CN: a strategy for the conformational control of an acyclic system.

    PubMed

    Nishide, K; Hagimoto, Y; Hasegawa, H; Shiro, M; Node, M

    2001-11-21

    X-Ray crystallographic analyses of fluorocyanides anti-1 and 2 revealed a novel intramolecular through-space interaction between F and CN in an acyclic system, which was applied to a stereoselective protonation of acyclic fluorocyanides 2 having flexible conformation. PMID:12240092

  8. A new strategy to construct acyclic nucleosides via Ag(I)-catalyzed addition of pronucleophiles to 9-allenyl-9H-purines.

    PubMed

    Wei, Tao; Xie, Ming-Sheng; Qu, Gui-Rong; Niu, Hong-Ying; Guo, Hai-Ming

    2014-02-01

    A new strategy to construct acyclic nucleosides with diverse side chains was developed. With Ag(I) salts as catalysts, the hydrocarboxylation, hydroamination, and hydrocarbonation reactions proceeded well, affording acyclic nucleosides in good yields (41 examples, 60-98% yields). Meanwhile, these reactions exhibited high chemoselectivities and E-selectivities. PMID:24437554

  9. Alternating-direction implicit numerical solution of the time-dependent, three-dimensional, single fluid, resistive magnetohydrodynamic equations

    SciTech Connect

    Finan, C.H. III

    1980-12-01

    Resistive magnetohydrodynamics (MHD) is described by a set of eight coupled, nonlinear, three-dimensional, time-dependent, partial differential equations. A computer code, IMP (Implicit MHD Program), has been developed to solve these equations numerically by the method of finite differences on an Eulerian mesh. In this model, the equations are expressed in orthogonal curvilinear coordinates, making the code applicable to a variety of coordinate systems. The Douglas-Gunn algorithm for Alternating-Direction Implicit (ADI) temporal advancement is used to avoid the limitations in timestep size imposed by explicit methods. The equations are solved simultaneously to avoid syncronization errors.

  10. Three dimensional complex plasma structures in a combined radio frequency and direct current discharge

    NASA Astrophysics Data System (ADS)

    Mitic, S.; Klumov, B. A.; Khrapak, S. A.; Morfill, G. E.

    2013-04-01

    We report on the first detailed analysis of large three dimensional (3D) complex plasma structures in experiments performed in pure rf and combined rf+dc discharge modes. Inductively coupled plasma is generated by an rf coil wrapped around the vertically positioned cylindrical glass tube at a pressure of 0.3 mbar. In addition, dc plasma can be generated by applying voltage to the electrodes at the ends of the tube far from the rf coil. The injected monodisperse particles are levitated in the plasma below the coil. A scanning laser sheet and a high resolution camera are used to determine the 3D positions of about 105 particles. The observed bowl-shaped particle clouds reveal coexistence of various structures, including well-distinguished solid-like, less ordered liquid-like, and pronounced string-like phases. New criteria to identify string-like structures are proposed.

  11. Parallelised direct numerical simulation of three-dimensional wavy falling films

    NASA Astrophysics Data System (ADS)

    Juric, Damir; Chergui, Jalel; Kahouadji, Lyes; Matar, Omar; Shin, Seungwon

    2015-11-01

    We present a computational study of falling liquid films in a three-dimensional inclined rectangular domain using the new massively parallel code, BLUE. Calculations are carried out in order to obtain several wave patterns such as occasional solitary waves, which travel downstream at a constant velocity, or less coherent structures. BLUE uses parallelization algorithms based on MPI and algebraic domain decomposition. The velocity field is solved by a parallel GMRES method for the viscous terms and the pressure by a parallel multigrid method. The method for the treatment of the fluid interfaces and capillary forces uses a parallelized Front Tracking/Level Set technique which defines the interface both by a discontinuous density field as well as by a local triangular Lagrangian mesh. This structure allows the interface to undergo large deformations including the rupture and/or coalescence of fluid interfaces. EPSRC Programme Grant, MEMPHIS, EP/K0039761/1.

  12. Three dimensional complex plasma structures in a combined radio frequency and direct current discharge

    SciTech Connect

    Mitic, S.; Morfill, G. E.; Klumov, B. A.; Khrapak, S. A.

    2013-04-15

    We report on the first detailed analysis of large three dimensional (3D) complex plasma structures in experiments performed in pure rf and combined rf+dc discharge modes. Inductively coupled plasma is generated by an rf coil wrapped around the vertically positioned cylindrical glass tube at a pressure of 0.3 mbar. In addition, dc plasma can be generated by applying voltage to the electrodes at the ends of the tube far from the rf coil. The injected monodisperse particles are levitated in the plasma below the coil. A scanning laser sheet and a high resolution camera are used to determine the 3D positions of about 10{sup 5} particles. The observed bowl-shaped particle clouds reveal coexistence of various structures, including well-distinguished solid-like, less ordered liquid-like, and pronounced string-like phases. New criteria to identify string-like structures are proposed.

  13. Detailed Multi‐dimensional Modeling of Direct Internal Reforming Solid Oxide Fuel Cells

    PubMed Central

    Tseronis, K.; Fragkopoulos, I.S.; Bonis, I.

    2016-01-01

    Abstract Fuel flexibility is a significant advantage of solid oxide fuel cells (SOFCs) and can be attributed to their high operating temperature. Here we consider a direct internal reforming solid oxide fuel cell setup in which a separate fuel reformer is not required. We construct a multidimensional, detailed model of a planar solid oxide fuel cell, where mass transport in the fuel channel is modeled using the Stefan‐Maxwell model, whereas the mass transport within the porous electrodes is simulated using the Dusty‐Gas model. The resulting highly nonlinear model is built into COMSOL Multiphysics, a commercial computational fluid dynamics software, and is validated against experimental data from the literature. A number of parametric studies is performed to obtain insights on the direct internal reforming solid oxide fuel cell system behavior and efficiency, to aid the design procedure. It is shown that internal reforming results in temperature drop close to the inlet and that the direct internal reforming solid oxide fuel cell performance can be enhanced by increasing the operating temperature. It is also observed that decreases in the inlet temperature result in smoother temperature profiles and in the formation of reduced thermal gradients. Furthermore, the direct internal reforming solid oxide fuel cell performance was found to be affected by the thickness of the electrochemically‐active anode catalyst layer, although not always substantially, due to the counter‐balancing behavior of the activation and ohmic overpotentials. PMID:27570502

  14. Direct Observation of the Fermi Arc Surface State in the Three-Dimensional Dirac Semimetal Na3Bi

    NASA Astrophysics Data System (ADS)

    Liang, Aiji; Wang, Zhijun; Chen, Chaoyu; Shi, Youguo; Yi, Hemian; Feng, Ya; Xie, Zhuojin; He, Shaolong; He, Junfeng; Peng, Yingying; Liu, Xu; Liu, Yan; Zhao, Lin; Liu, Guodong; Zhang, Jun; Nakatake, M.; Arita, M.; Shimada, K.; Namatame, H.; Taniguchi, M.; Xu, Zuyan; Chen, Chuangtian; Dai, Xi; Fang, Zhong; Zhou, Xingjiang

    2015-03-01

    The three dimensional (3D) Dirac semimetals have linearly dispersive 3D Dirac nodes where the conduction and valence bands connect to each other. Here we report the direct observation of the linearly dispersive 3D bulk Dirac points at the natural (001) cleaving surface of Na3Bi single crystal by high resolution ARPES. In addition, we have directly observed two separated 3D bulk Dirac nodes by elaborately cleaving Na3Bi samples at a non-natural-cleavage (100) crystalline surface. We further unveil the unusual Fermi-arc surface states connecting the two 3D Dirac nodes. At this unique (100) crystalline surface, the identification of the 3D Dirac semimetal state in Na3Bi paves the way for systematically exploring rich exotic topological physics such as topological insulator and Weyl semimetal state.

  15. Patterned and functionalized nanofiber scaffolds in three-dimensional hydrogel constructs enhance neurite outgrowth and directional control

    NASA Astrophysics Data System (ADS)

    McMurtrey, Richard J.

    2014-12-01

    Objective. Neural tissue engineering holds incredible potential to restore functional capabilities to damaged neural tissue. It was hypothesized that patterned and functionalized nanofiber scaffolds could control neurite direction and enhance neurite outgrowth. Approach. A method of creating aligned electrospun nanofibers was implemented and fiber characteristics were analyzed using environmental scanning electron microscopy. Nanofibers were composed of polycaprolactone (PCL) polymer, PCL mixed with gelatin, or PCL with a laminin coating. Three-dimensional hydrogels were then integrated with embedded aligned nanofibers to support neuronal cell cultures. Microscopic images were captured at high-resolution in single and multi-focal planes with eGFP-expressing neuronal SH-SY5Y cells in a fluorescent channel and nanofiber scaffolding in another channel. Neuronal morphology and neurite tracking of nanofibers were then analyzed in detail. Main results. Aligned nanofibers were shown to enable significant control over the direction of neurite outgrowth in both two-dimensional (2D) and three-dimensional (3D) neuronal cultures. Laminin-functionalized nanofibers in 3D hyaluronic acid (HA) hydrogels enabled significant alignment of neurites with nanofibers, enabled significant neurite tracking of nanofibers, and significantly increased the distance over which neurites could extend. Specifically, the average length of neurites per cell in 3D HA constructs with laminin-functionalized nanofibers increased by 66% compared to the same laminin fibers on 2D laminin surfaces, increased by 59% compared to 2D laminin-coated surface without fibers, and increased by 1052% compared to HA constructs without fibers. Laminin functionalization of fibers also doubled average neurite length over plain PCL fibers in the same 3D HA constructs. In addition, neurites also demonstrated tracking directly along the fibers, with 66% of neurite lengths directly tracking laminin-coated fibers in 3D HA

  16. Investigation of diastereoselective acyclic α-alkoxydithioacetal substitutions involving thiacarbenium intermediates.

    PubMed

    Prévost, Michel; Dostie, Starr; Waltz, Marie-Ève; Guindon, Yvan

    2014-11-01

    Reported herein is an experimental and theoretical study that elucidates why silylated nucleobase additions to acyclic α-alkoxythiacarbenium intermediates proceed with high 1,2-syn stereocontrol (anti-Felkin-Anh), which is opposite to what would be expected with corresponding activated aldehydes. The acyclic thioaminals formed undergo intramolecular cyclizations to provide nucleoside analogues with anticancer and antiviral properties. The factors influencing the selectivity of the substitution reaction have been examined thoroughly. Halothioether species initially form, ionize in the presence (low dielectric media) or absence (higher dielectric media) of the nucleophile, and react through SN2-like transition structures (TS A and D), where the α-alkoxy group is gauche to the thioether moiety. An important, and perhaps counterintuitive, observation in this work was that calculations done in the gas phase or low dielectric media (toluene) are essential to locate the product- and rate-determining transition structures (C-N bond formation) that allow the most reasonable prediction of selectivity and isotope effects for more polar solvents (THF, MeCN). The ΔΔG(⧧) (G(TSA-TSD)) obtained in silico are consistent with the preferential formation of 1,2-syn product and with the trends of stereocontrol displayed by 2,3-anti and 2,3-syn α,β-bis-alkoxydithioacetals. PMID:25280088

  17. Short peptide-directed synthesis of one-dimensional platinum nanostructures with controllable morphologies

    PubMed Central

    Tao, Kai; Wang, Jiqian; Li, Yanpeng; Xia, Daohong; Shan, Honghong; Xu, Hai; Lu, Jian R.

    2013-01-01

    Although one dimensional (1D) Pt nanostructures with well-defined sizes and shapes have fascinating physiochemical properties, their preparation remains a great challenge. Here we report an easy and novel synthesis of 1D Pt nanostructures with controllable morphologies, through the combination of designer self-assembling I3K and phage-displayed P7A peptides. The nanofibrils formed via I3K self-assembly acted as template. Pt precursors ((PtCl4)2− and (PtCl6)2−) were immobilized by electrostatic interaction on the positively charged template surface and subsequent reduction led to the formation of 1D Pt nanostructures. P7A was applied to tune the continuity of the Pt nanostructures. Here, the electrostatic repulsion between the deprotonated C-terminal carboxyl groups of P7A molecules was demonstrated to play a key role. We finally showed that continuous and ordered 1D Pt morphology had a significantly improved electrochemical performance for the hydrogen and methanol electro-oxidation in comparison with either 1D discrete Pt nanoparticle assemblies or isolated Pt nanoparticles. PMID:23995118

  18. Microstructure Analysis and Multi-Unit Cell Model of Three Dimensionally Four-Directional Braided Composites

    NASA Astrophysics Data System (ADS)

    Xu, Kun; Qian, Xiaomei

    2015-02-01

    In this paper, a new multi-unit cell model of three dimensionally braided composites is presented on the basis of the microstructure analysis of 3D braided preforms produced by four-step 1 × 1 method. According to a new unit cell partition scheme, the multi-unit cell model possesses five kinds of unit cells, namely interior, exterior surface, interior surface, exterior corner and interior corner unit cells. Each type of the representative volume cell has unique microstructure and volume fraction in braided composites. On the basis of these five unit cell models, the structural geometry parameters of the preforms are analyzed and the relationship between the structural parameters and the braiding parameters in different regions are derived in detail, such as the braiding angles, fiber volume fraction, yarn packing factor, braiding pitch and so on. Finally, by using the multi-unit cell model, the main structural parameters of braided composites specimens are calculated to validate the effectiveness of the model. The results are in good agreement with the available experimental data. In addition, the effect of braiding angle on the squeezing condition of braiding yarn is analyzed. The variations of the volume proportion of five unit cells to the whole specimen with rows and columns are discussed, respectively. The presented multi-unit cell model can be adopted to design 3D braided composites and predict their mechanical properties.

  19. Transition metal ion directed supramolecular assembly of one- and two-dimensional polyrotaxanes incorporating cucurbituril.

    PubMed

    Park, Ki-Min; Whang, Dongmok; Lee, Eunsung; Heo, Jungseok; Kim, Kimoon

    2002-01-18

    This paper reports a synthetic strategy to construct one- and two-dimensional (1D and 2D) polyrotaxanes, in which a number of rings are threaded onto a coordination polymer, by the combination of self-assembly and coordination chemistry. Our approach to construct polyrotaxanes with high structural regularity involves threading a cucurbituril (CB) "bead" with a short "string" to form a stable pseudorotaxane, followed by linking the pseudorotaxanes with metal ions as "linkers" to organize into a 1D or 2D polyrotaxane. A 4- or 3-pyridylmethyl group is attached to each end of 1,4-diaminobutane or 1,5-diaminopentane to produce the short "strings", which then react with the cucurbituril "bead" to form stable pseudorotaxanes. The reaction of the pseudorotaxanes with various transition metal ions including CuII, CoII, NiII, AgI, and CdII produces 1D or 2D polyrotaxanes, in which many molecular "beads" are threaded onto 1D or 2D coordination polymers as confirmed by X-ray crystallography. The overall structure of a polyrotaxane is the result of interplay among various factors that include the coordination preferences of the metal ion, spatial disposition of the donor atoms with respect to the CB beads in the pseudorotaxane, and the size and coordination ability of the counteranion. PMID:11843162

  20. Low-field one-dimensional and direction-dependent relaxation imaging of bovine articular cartilage

    NASA Astrophysics Data System (ADS)

    Rössler, Erik; Mattea, Carlos; Mollova, Ayret; Stapf, Siegfried

    2011-12-01

    The structure of articular cartilage is separated into three layers of differently oriented collagen fibers, which is accompanied by a gradient of increasing glycosaminoglycan (GAG) and decreasing water concentration from the top layer towards the bone interface. The combined effect of these structural variations results in a change of the longitudinal and transverse relaxation times as a function of the distance from the cartilage surface. In this paper, this dependence is investigated at a magnetic field strength of 0.27 T with a one-dimensional depth resolution of 50 μm on bovine hip and stifle joint articular cartilage. By employing this method, advantage is taken of the increasing contrast of the longitudinal relaxation rate found at lower magnetic field strengths. Furthermore, evidence for an orientational dependence of relaxation times with respect to an axis normal to the surface plane is given, an observation that has recently been reported using high-field MRI and that was explained by preferential orientations of collagen bundles in each of the three cartilage zones. In order to quantify the extent of a further contrast mechanism and to estimate spatially dependent glycosaminoglycan concentrations, the data are supplemented by proton relaxation times that were acquired in bovine articular cartilage that was soaked in a 0.8 mM aqueous Gd ++ solution.

  1. Direct three-dimensional characterization and multiscale visualization of wheat straw deconstruction by white rot fungus.

    PubMed

    Liu, Li; Qian, Chen; Jiang, Lei; Yu, Han-Qing

    2014-08-19

    Microbial degradation of lignocellulose for resource and energy recovery has received increasing interest. Despite its obvious importance, the mechanism behind the biodegradation, especially the changes of morphological structure and surface characteristics, has not been fully understood. Here, we used three-dimensional (3D) characterization and multiscale visualization methods, in combination with chemical compositional analyses, to elucidate the degradation process of wheat straw by a white rot fungus, Phanerochaete chrysosporium. It was found that the fungal attack initiated from stomata. Lignin of the straw decayed in both size and quantity, and heterogeneity in the biodegradation was observed. After treatment with the fungus, the straw surface turned from hydrophobic to hydrophilic, and the adhesion of the straw surface increased in the fungal degradation. The morphology of the straw outer layer became heterogeneous and loose with the formation of many holes with various sizes. The wasp-tunnels-like structure of the collenchyma and parenchyma of the straw as well as the fungal hyphae interspersed inside the straw structure were clearly visualized in the 3D reconstruction structure. This work offers a new insight into the mechanism of lignocellulose biodegradation and demonstrates that multiscale visualization methods could be a useful tool to explore such complex processes. PMID:25072830

  2. Enhancement of direct urea-hydrogen peroxide fuel cell performance by three-dimensional porous nickel-cobalt anode

    NASA Astrophysics Data System (ADS)

    Guo, Fen; Cao, Dianxue; Du, Mengmeng; Ye, Ke; Wang, Guiling; Zhang, Wenping; Gao, Yinyi; Cheng, Kui

    2016-03-01

    A novel three-dimensional (3D) porous nickel-cobalt (Ni-Co) film on nickel foam is successfully prepared and further used as an efficient anode for direct urea-hydrogen peroxide fuel cell (DUHPFC). By varying the cobalt/nickel mole ratios into 0%, 20%, 50%, 80% and 100%, the optimized Ni-Co/Ni foam anode with a ratio of 80% is obtained in terms of the best cell performance among five anodes. Effects of the KOH and urea concentrations, the flow rate and operation temperature on the fuel cell performance are investigated. Results show DUHPFC with the 3D Ni-Co/Ni foam anode exhibits a higher performance than those reported direct urea fuel cells. The cell gives an open circuit voltage of 0.83 V and a peak power density as high as 17.4 and 31.5 mW cm-2 at 20 °C and 70 °C, respectively, when operating on 7.0 mol L-1 KOH and 0.5 mol L-1 urea as the fuel at a flow rate of 15 mL min-1. Besides, when the human urine is directly fed as the fuel, direct urine-hydrogen peroxide fuel cell reaches a maximum power density of 7.5 mW cm-2 with an open circuit voltage of 0.80 V at 20 °C, showing a good application prospect in wastewater treatment.

  3. Three-dimensional bioprinting of embryonic stem cells directs highly uniform embryoid body formation.

    PubMed

    Ouyang, Liliang; Yao, Rui; Mao, Shuangshuang; Chen, Xi; Na, Jie; Sun, Wei

    2015-12-01

    With the ability to manipulate cells temporarily and spatially into three-dimensional (3D) tissue-like construct, 3D bioprinting technology was used in many studies to facilitate the recreation of complex cell niche and/or to better understand the regulation of stem cell proliferation and differentiation by cellular microenvironment factors. Embryonic stem cells (ESCs) have the capacity to differentiate into any specialized cell type of the animal body, generally via the formation of embryoid body (EB), which mimics the early stages of embryogenesis. In this study, extrusion-based 3D bioprinting technology was utilized for biofabricating ESCs into 3D cell-laden construct. The influence of 3D printing parameters on ESC viability, proliferation, maintenance of pluripotency and the rule of EB formation was systematically studied in this work. Results demonstrated that ESCs were successfully printed with hydrogel into 3D macroporous construct. Upon process optimization, about 90% ESCs remained alive after the process of bioprinting and cell-laden construct formation. ESCs continued proliferating into spheroid EBs in the hydrogel construct, while retaining the protein expression and gene expression of pluripotent markers, like octamer binding transcription factor 4, stage specific embryonic antigen 1 and Nanog. In this novel technology, EBs were formed through cell proliferation instead of aggregation, and the quantity of EBs was tuned by the initial cell density in the 3D bioprinting process. This study introduces the 3D bioprinting of ESCs into a 3D cell-laden hydrogel construct for the first time and showed the production of uniform, pluripotent, high-throughput and size-controllable EBs, which indicated strong potential in ESC large scale expansion, stem cell regulation and fabrication of tissue-like structure and drug screening studies. PMID:26531008

  4. Future directions in 3-dimensional imaging and neurosurgery: stereoscopy and autostereoscopy.

    PubMed

    Christopher, Lauren A; William, Albert; Cohen-Gadol, Aaron A

    2013-01-01

    Recent advances in 3-dimensional (3-D) stereoscopic imaging have enabled 3-D display technologies in the operating room. We find 2 beneficial applications for the inclusion of 3-D imaging in clinical practice. The first is the real-time 3-D display in the surgical theater, which is useful for the neurosurgeon and observers. In surgery, a 3-D display can include a cutting-edge mixed-mode graphic overlay for image-guided surgery. The second application is to improve the training of residents and observers in neurosurgical techniques. This article documents the requirements of both applications for a 3-D system in the operating room and for clinical neurosurgical training, followed by a discussion of the strengths and weaknesses of the current and emerging 3-D display technologies. An important comparison between a new autostereoscopic display without glasses and current stereo display with glasses improves our understanding of the best applications for 3-D in neurosurgery. Today's multiview autostereoscopic display has 3 major benefits: It does not require glasses for viewing; it allows multiple views; and it improves the workflow for image-guided surgery registration and overlay tasks because of its depth-rendering format and tools. Two current limitations of the autostereoscopic display are that resolution is reduced and depth can be perceived as too shallow in some cases. Higher-resolution displays will be available soon, and the algorithms for depth inference from stereo can be improved. The stereoscopic and autostereoscopic systems from microscope cameras to displays were compared by the use of recorded and live content from surgery. To the best of our knowledge, this is the first report of application of autostereoscopy in neurosurgery. PMID:23254802

  5. Three-dimensional spray distributions in a direct injection diesel engine

    SciTech Connect

    Yoshizaki, Takuo; Nishida, Keiya; Hiroyasu, Hiroyuki; Song, K.K.

    1994-09-01

    Experiments and modeling of a spray impinged onto a cavity wall of a simulated piston were performed under simulated diesel engine conditons (pressure and density) at an ambient temperature. The diesel fuel was delivered from a Bosch-type injection pump to a single-hole nozzle, the hole being drilled in the same direction as the original five-hole nozzle. The fuel was injected into a high-pressure bomb in which an engine combustion chamber, composed of a piston, a cylinder head and a cylinder liner, was installed. Distributions of the spray impinging on the simulated combustion chamber were observed from various directions while changing some of the experimental parameters, such as combustion chamber shape, nozzle projection and top-clearance. High-speed photography was used in the constant volume bomb to examine the effect of these parameters on the spray distributions. The spray distributions obtained in the simulated combustion chamber are compared to the distributions calculated by a spray model based on a multi-package, spray model 3 refs., 13 figs., 1 tab.

  6. In Vivo CT Direct Volume Rendering: A Three-Dimensional Anatomical Description of the Heart

    PubMed Central

    Cutroneo, Giuseppina; Bruschetta, Daniele; Trimarchi, Fabio; Cacciola, Alberto; Cinquegrani, Maria; Duca, Antonio; Rizzo, Giuseppina; Alati, Emanuela; Gaeta, Michele; Milardi, Demetrio

    2016-01-01

    Summary Background Since cardiac anatomy continues to play an important role in the practice of medicine and in the development of medical devices, the study of the heart in three dimensions is particularly useful to understand its real structure, function and proper location in the body. Material/Methods This study demonstrates a fine use of direct volume rendering, processing the data set images obtained by Computed Tomography (CT) of the heart of 5 subjects with age range between 18 and 42 years (2 male, 3 female), with no history of any overt cardiac disease. The cardiac structure in CT images was first extracted from the thorax by marking manually the regions of interest on the computer, and then it was stacked to create new volumetric data. Results The use of a specific algorithm allowed us to observe with a good perception of depth the heart and the skeleton of the thorax at the same time. Besides, in all examined subjects, it was possible to depict its structure and its position within the body and to study the integrity of papillary muscles, the fibrous tissue of cardiac valve and chordae tendineae and the course of coronary arteries. Conclusions Our results demonstrated that one of the greatest advantages of algorithmic modifications of direct volume rendering parameters is that this method provides much necessary information in a single radiologic study. It implies a better accuracy in the study of the heart, being complementary to other diagnostic methods and facilitating the therapeutic plans. PMID:26858778

  7. Direct manufacturing of ultrathin graphite on three-dimensional nanoscale features.

    PubMed

    Pacios, Mercè; Hosseini, Peiman; Fan, Ye; He, Zhengyu; Krause, Oliver; Hutchison, John; Warner, Jamie H; Bhaskaran, Harish

    2016-01-01

    There have been many successful attempts to grow high-quality large-area graphene on flat substrates. Doing so at the nanoscale has thus far been plagued by significant scalability problems, particularly because of the need for delicate transfer processes onto predefined features, which are necessarily low-yield processes and which can introduce undesirable residues. Herein we describe a highly scalable, clean and effective, in-situ method that uses thin film deposition techniques to directly grow on a continuous basis ultrathin graphite (uG) on uneven nanoscale surfaces. We then demonstrate that this is possible on a model system of atomic force probe tips of various radii. Further, we characterize the growth characteristics of this technique as well as the film's superior conduction and lower adhesion at these scales. This sets the stage for such a process to allow the use of highly functional graphite in high-aspect-ratio nanoscale components. PMID:26939862

  8. Constraints on Universal Extra-Dimensional Dark Matter from Direct Detection Results

    NASA Astrophysics Data System (ADS)

    Torpin, Trevor; Duda, Gintaras

    2011-04-01

    Detection of dark matter is one of the most challenging and important problems in astro-particle physics. One theory that produces a viable particle dark matter candidate is Universal Extra Dimensions (UED), in which the existence of a 4th spatial dimension is theorized. The extra dimension is not seen because it is compactifed on a circular orbifold whose radius is too small to be observed with current technology. What separates this theory over other Kaluza-Klein-type theories is that UED allows all standard model particles and fields to propagate in the extra dimension. The dark matter candidate in UED theories is a stable particle known as the Lightest Kaluza-Klein Particle or LKP, and the LKP can exist with sufficient relic density to serve as the dark matter. This work will present bounds on UED model parameters from direct dark matter searches such as the CDMS II.

  9. Whistlers and plasmaspheric hiss - Wave directions and three-dimensional propagation

    NASA Technical Reports Server (NTRS)

    Draganov, A. B.; Inan, U. S.; Sonwalkar, V. S.; Bell, T. F.

    1993-01-01

    Wave propagation directions are determined on the basis of wave data from the DE 1 satellite showing simultaneously nonducted whistlers and hiss. Hiss wave normal angles are determined as about 70 and 77 deg for f = 3.5 and 2.5 kHz, respectively, with the wave vector being almost perpendicular to the meridional plane. A novel approximate analytical formulation of 3D propagation of whistler waves is developed and used to model the drift of magnetospherically reflected whistlers in azimuth. It is shown that depending on initial parameters, the time of arrival of whistler rays at a fixed observation point can differ by 10-20 s, with signals from different magnetospherically reflected whistlers overlapping to evolve into a hisslike signal. The total azimuthal drift of whistler rays is found to not exceed about 30 deg, so that plasmaspheric hiss may be produced by nonducted whistlers at longitudes correlated with the location of thunderstorm activity.

  10. An Integrative Biosensor Based on Contra-Directional Coupling Two-dimensional Photonic Crystal Waveguides

    NASA Astrophysics Data System (ADS)

    Mao, Xiao-Yu; Yao, Di-Bi; Zhao, Ling-Yun; Huang, Yi-Dong; Zhang, Wei; Peng, Jiang-De

    2008-01-01

    We propose an integrative biochemical sensor utilizing the dip in the transmission spectrum of a normal single-line defect photonic crystal (PC) waveguide, which has a contra-directional coupling with another PC waveguide. When the air holes in the PC slab are filled with a liquid analyte with different refractive indices, the dip has a wavelength shift By detecting the output power variation at a certain fixed wavelength, a sensitivity of 1.2 × 10-4 is feasible. This structure is easy for integration due to its plane waveguide structure and omissible pump source. In addition, high signal to noise ratio can be expected because signal transmits via a normal single-line defect PC waveguide instead of the PC hole area or analyte.

  11. Direct manufacturing of ultrathin graphite on three-dimensional nanoscale features

    NASA Astrophysics Data System (ADS)

    Pacios, Mercè; Hosseini, Peiman; Fan, Ye; He, Zhengyu; Krause, Oliver; Hutchison, John; Warner, Jamie H.; Bhaskaran, Harish

    2016-03-01

    There have been many successful attempts to grow high-quality large-area graphene on flat substrates. Doing so at the nanoscale has thus far been plagued by significant scalability problems, particularly because of the need for delicate transfer processes onto predefined features, which are necessarily low-yield processes and which can introduce undesirable residues. Herein we describe a highly scalable, clean and effective, in-situ method that uses thin film deposition techniques to directly grow on a continuous basis ultrathin graphite (uG) on uneven nanoscale surfaces. We then demonstrate that this is possible on a model system of atomic force probe tips of various radii. Further, we characterize the growth characteristics of this technique as well as the film’s superior conduction and lower adhesion at these scales. This sets the stage for such a process to allow the use of highly functional graphite in high-aspect-ratio nanoscale components.

  12. Note: Fast compact laser shutter using a direct current motor and three-dimensional printing

    SciTech Connect

    Zhang, Grace H. Braverman, Boris; Kawasaki, Akio; Vuletić, Vladan

    2015-12-15

    We present a mechanical laser shutter design that utilizes a direct current electric motor to rotate a blade which blocks and unblocks a light beam. The blade and the main body of the shutter are modeled with computer aided design (CAD) and are produced by 3D printing. Rubber flaps are used to limit the blade’s range of motion, reducing vibrations and preventing undesirable blade oscillations. At its nominal operating voltage, the shutter achieves a switching speed of (1.22 ± 0.02) m/s with 1 ms activation delay and 10 μs jitter in its timing performance. The shutter design is simple, easy to replicate, and highly reliable, showing no failure or degradation in performance over more than 10{sup 8} cycles.

  13. Dynamical scaling behavior of the one-dimensional conserved directed-percolation universality class.

    PubMed

    Kwon, Sungchul; Kim, Yup

    2012-05-01

    We investigate the dynamical scaling behavior of the static diffusive epidemic process and a fixed-energy Manna sandpile model, undergoing nonequilibrium absorbing phase transitions in one dimension. These models belong to the so-called conserved directed-percolation or Manna universality class characterized by the conservation of the total particle number, activity coupled to a nondiffusive conserved field and infinitely many absorbing states. We measure the dynamical exponents of these models in one dimension by using the critical spreading simulation of a localized activity in absorbing configurations. In the spreading simulations, boundaries are never touched, so the results are free from the finite-size effects. In contrast to the scattered results for the different models from the previous finite-size scaling analyses, we obtain consistent estimates of the dynamical exponents for both models. PMID:23004715

  14. Note: Fast compact laser shutter using a direct current motor and three-dimensional printing

    NASA Astrophysics Data System (ADS)

    Zhang, Grace H.; Braverman, Boris; Kawasaki, Akio; Vuletić, Vladan

    2015-12-01

    We present a mechanical laser shutter design that utilizes a direct current electric motor to rotate a blade which blocks and unblocks a light beam. The blade and the main body of the shutter are modeled with computer aided design (CAD) and are produced by 3D printing. Rubber flaps are used to limit the blade's range of motion, reducing vibrations and preventing undesirable blade oscillations. At its nominal operating voltage, the shutter achieves a switching speed of (1.22 ± 0.02) m/s with 1 ms activation delay and 10 μs jitter in its timing performance. The shutter design is simple, easy to replicate, and highly reliable, showing no failure or degradation in performance over more than 108 cycles.

  15. Direct manufacturing of ultrathin graphite on three-dimensional nanoscale features

    PubMed Central

    Pacios, Mercè; Hosseini, Peiman; Fan, Ye; He, Zhengyu; Krause, Oliver; Hutchison, John; Warner, Jamie H.; Bhaskaran, Harish

    2016-01-01

    There have been many successful attempts to grow high-quality large-area graphene on flat substrates. Doing so at the nanoscale has thus far been plagued by significant scalability problems, particularly because of the need for delicate transfer processes onto predefined features, which are necessarily low-yield processes and which can introduce undesirable residues. Herein we describe a highly scalable, clean and effective, in-situ method that uses thin film deposition techniques to directly grow on a continuous basis ultrathin graphite (uG) on uneven nanoscale surfaces. We then demonstrate that this is possible on a model system of atomic force probe tips of various radii. Further, we characterize the growth characteristics of this technique as well as the film’s superior conduction and lower adhesion at these scales. This sets the stage for such a process to allow the use of highly functional graphite in high-aspect-ratio nanoscale components. PMID:26939862

  16. Synthesis and antiviral activity evaluation of acyclic 2'-azanucleosides bearing a phosphonomethoxy function in the side chain.

    PubMed

    Koszytkowska-Stawińska, Mariola; De Clercq, Erik; Balzarini, Jan

    2009-06-01

    Acyclic 2'-azanucleosides with a phosphonomethoxy function in the side chain were obtained by coupling of diethyl {2-[N-(pivaloyloxymethyl)-N-(p-toluenesulfonyl)amino]ethoxymethyl}phosphonate with the pyrimidine nucleobases via the Vorbrüggen-type protocol. The compounds were evaluated in vitro for activity against a broad variety of RNA and DNA viruses. PMID:19442526

  17. Anomalous Reactivity and Selectivity in the Intermolecular Diels-Alder Reactions of Multisubstituted Acyclic Dienes with Geometrical Isomers of Enals.

    PubMed

    Zhou, Jia-Hui; Cai, Sai-Hu; Xu, Yun-He; Loh, Teck-Peng

    2016-05-20

    A Lewis-acid catalyzed intermolecular Diels-Alder reaction between multisubstituted acyclic dienes and the E and Z isomers of α,β-enals was studied. It was found that the diene reacted selectively with the Z-isomer of the α,β-enal. PMID:27132468

  18. Facile formation of branched titanate nanotubes to grow a three-dimensional nanotubular network directly on a solid substrate.

    PubMed

    Zhang, Haimin; Liu, Porun; Wang, Hongjuan; Yu, Hua; Zhang, Shanqing; Zhu, Huaiyong; Peng, Feng; Zhao, Huijun

    2010-02-01

    The hydrothermal formation of branched titanate nanotubes that grow a 3D nanotubular network directly onto a titanium substrate is reported. The resultant 3D nanotubular network exhibits a unique all-dimensional uniform porous structure. The inner and outer tubular diameters of branched titanate nanotubes were found to be approximately 6 and 12 nm, respectively. For the majority of the nanotubes, the wall is formed from three layers of titanate with an approximate 7.7 A interlayer space. In terms of individual nanotubes, these characteristics are quantitatively similar to those of previously reported nonbranched nanotubes. However, in terms of how nanotubes are arranged in the film, the all-dimensional uniform nanotubular network structure obtained here is distinctively different from those of previously reported structures. The 3D nanotubular network structure was formed by the jointing of branched nanotubes. In contrast, the previously reported nanotubes tend to grow vertically on the substrate, and the resultant tubular films are formed by interwoven nonbranched nanotubes. The branched titanate nanotubes can be readily formed on titanium substrates but not in solution suspension forms. A continuous seed formation-oriented crystal growth mechanism was proposed for the branched titanate nanotubular network formation. Such a network structure could be useful for applications such as photocatalysis, membrane separation, field emission, and photovoltaic devices. PMID:20039654

  19. Directed assembly of cell-laden microgels for building porous three-dimensional tissue constructs.

    PubMed

    Yanagawa, Fumiki; Kaji, Hirokazu; Jang, Yun-Ho; Bae, Hojae; Yanan, Du; Fukuda, Junji; Qi, Hao; Khademhosseini, Ali

    2011-04-01

    The organization of cells within a well-defined microenvironment is important in generating the resulting tissue function. However, the cellular organization within biodegradable scaffolds often does not resemble those of native tissues. In this study, we present directed assembly of microgels to organize cells for building porous 3D tissue constructs. Cell-laden microgels were generated by molding photocrosslinkable polyethylene glycol diacrylate within a poly(dimethyl siloxane) stencil. The resulting microgels were subsequently packed as individual layers (1 mm in height) on a glass substrate by removing the excess prepolymer solution around the microgels. These clusters were crosslinked and stacked on one another to fabricate thick 3D constructs that were greater than 1 cm in width and 3 mm in thickness. To generate pores within the engineered structures, sodium alginate microgels were integrated in the engineered constructs and used as a sacrificial template. These pores may be potentially useful for fabricating a vascular network to supply oxygen and nutrients to the engineered tissue constructs. This simple and versatile building approach may be a useful tool for various 3D tissue culture and engineering applications. PMID:21319297

  20. Directed assembly of cell-laden microgels for building porous three-dimensional tissue constructs

    PubMed Central

    Yanagawa, Fumiki; Kaji, Hirokazu; Jang, Yun-Ho; Bae, Hojae; Yanan, Du; Fukuda, Junji; Qi, Hao; Khademhosseini, Ali

    2011-01-01

    The organization of cells within a well-defined microenvironment is important in generating the resulting tissue function. However, the cellular organization within biodegradable scaffolds often does not resemble those of native tissues. In this study, we present directed assembly of microgels to organize cells for building porous 3D tissue constructs. Cell-laden microgels were generated by molding photocrosslinkable polyethylene glycol diacrylate (PEGDA) within a poly(dimethyl siloxane) (PDMS) stencil. The resulting microgels were subsequently packed as individual layers (1 mm in height) on a glass substrate by removing the excess pre-polymer solution around the microgels. These clusters were crosslinked and stacked on one another to fabricate thick 3D constructs that were greater than 1 cm in width and 3 mm in thickness. To generate pores within the engineered structures, sodium alginate microgels were integrated in the engineered constructs and used as a sacrificial template. These pores may be potentially useful for fabricating a vascular network to supply oxygen and nutrients to the engineered tissue constructs. This simple and versatile building approach may be a useful tool for various 3D tissue culture and engineering applications. PMID:21319297

  1. Direct laser writing of three-dimensional network structures as templates for disordered photonic materials

    NASA Astrophysics Data System (ADS)

    Haberko, Jakub; Muller, Nicolas; Scheffold, Frank

    2013-10-01

    In the present article we substantially expand on our recent study about the fabrication of mesoscale polymeric templates of disordered photonic network materials [Haberko and Scheffold, Opt. Expr.OPEXFF1094-408710.1364/OE.21.001057 21, 1057 (2013)]. We present a detailed analysis and discussion of important technical aspects related to the fabrication and characterization of these fascinating materials. Compared to our initial report we were able to reduce the typical structural length scale of the seed pattern from a=3.3μm to a=2μm, bringing it closer to the technologically relevant fiber-optic communications wavelength range around λ˜1.5μm. We have employed scanning electron microscopy coupled with focused ion beam cutting to look inside the bulk of the samples of different heights. Moreover, we demonstrate the use of laser scanning confocal microscopy to assess the real space structure of the samples fabricated by direct laser writing. We address in detail questions about scalability, finite size effects, and geometrical distortions. We also study the effect of the lithographic voxel shape, that is, the ellipsoidal shape of the laser pen used in the fabrication process. To this end we employ detailed numerical modeling of the scattering function using a discrete dipole approximation scheme.

  2. Resistance of human immunodeficiency virus type 1 to acyclic 6-phenylselenenyl- and 6-phenylthiopyrimidines.

    PubMed Central

    Nguyen, M H; Schinazi, R F; Shi, C; Goudgaon, N M; McKenna, P M; Mellors, J W

    1994-01-01

    Acyclic 6-phenylselenenyl- and 6-phenylthiopyrimidine derivatives are potent and specific inhibitors of human immunodeficiency virus type 1 (HIV-1). The development of in vitro resistance to two derivatives, 5-ethyl-1-(ethoxymethyl)-(6-phenylthio)-uracil (E-EPU), was evaluated by serial passage of HIV-1 in increasing concentrations of inhibitor. HIV-1 variants exhibiting > 500-fold resistance to E-EPSeU and E-EPU were isolated after sequential passage in 1, 5, and 10 microM inhibitor. The resistant variants exhibited coresistance to related acyclic 6-substituted pyrimidines and the HIV-1-specific inhibitors (+)-(5S)-4,5,6,7-tetrahydro-5- pyrimidines and the HIV-1-specific inhibitors (+)-(5S)-4,5,6,7-tetrahydro-5- methyl-6-(3-methyl-2-butenyl)imidazo[4,5,1-jk]benzodiazepin-2(1H)- thione (TIBO R82150) and nevirapine, but remained susceptible to 3'-azido-3'-deoxythymidine, 2',3'-dideoxycytidine, 2',3'-dideoxyinosine, and phosphonoformic acid. DNA sequence analysis of reverse transcriptase (RT) derived from E-EPSeU-resistant virus identified a Tyr (TAT)-to-Cys (TGT) mutation at either codon 188 (Cys-188; 9 of 15 clones) or codon 181 (Cys-181; 5 of 15 clones). The same amino acid changes were found in RT from E-EPU-resistant virus, but the Cys-181 mutation was more common (9 of 10 clones) than the Cys-188 mutation (1 of 10 clones). Site-specific mutagenesis and production of mutant recombinant viruses demonstrated that both the Cys-181 and Cys-188 mutations cause resistance to E-EPSeU and E-EPU. Of the two mutations, the Cys-188 substitution produced greater E-EPSeU and E-EPU resistance. The predominance of the Cys-188 mutation in E-EPSeU-resistant variants has not been noted for other classes of HIV-1 specific RT inhibitors. HIV-1 resistance is likely to limit the therapeutic efficacy of acyclic 6-substituted pyrimidines if they are used as monotherapy. PMID:7840579

  3. Direct-numerical simulation of the glottal jet and vocal-fold dynamics in a three-dimensional laryngeal model

    PubMed Central

    Zheng, X.; Mittal, R.; Xue, Q.; Bielamowicz, S.

    2011-01-01

    An immersed-boundary method based flow solver coupled with a finite-element solid dynamics solver is employed in order to conduct direct-numerical simulations of phonatory dynamics in a three-dimensional model of the human larynx. The computed features of the glottal flow including mean and peak flow rates, and the open and skewness quotients are found to be within the normal physiological range. The flow-induced vibration pattern shows the classical “convergent-divergent” glottal shape, and the vibration amplitude is also found to be typical for human phonation. The vocal fold motion is analyzed through the method of empirical eigenfunctions and this analysis indicates a 1:1 modal entrainment between the “adduction-abduction” mode and the “mucosal wave” mode. The glottal jet is found to exhibit noticeable cycle-to-cycle asymmetric deflections and the mechanism underlying this phenomenon is examined. PMID:21786908

  4. Two-dimensional phase-field study of competitive grain growth during directional solidification of polycrystalline binary alloy

    NASA Astrophysics Data System (ADS)

    Takaki, Tomohiro; Ohno, Munekazu; Shibuta, Yasushi; Sakane, Shinji; Shimokawabe, Takashi; Aoki, Takayuki

    2016-05-01

    Selections of growing crystals during directional solidification of a polycrystalline binary alloy were numerically investigated using two-dimensional phase-field simulations. To accelerate the simulations, parallel graphics processing unit (GPU) simulations were performed using the GPU-rich supercomputer TSUBAME2.5 at the Tokyo Institute of Technology. Twenty simulations with a combination of five sets of different seed orientation distributions and four different temperature gradients covering dendritic and cellular growth regions were performed. The unusual grain selection phenomenon, in which the unfavorably oriented grains preferentially grow instead of the favorably oriented grains, was observed frequently. The unusual selection was more remarkable in the cellular structure than in the dendritic structure.

  5. Three-dimensional symmetry analysis of a direct-drive irradiation scheme for the laser megajoule facility

    SciTech Connect

    Ramis, R.; Temporal, M.; Canaud, B.; Brandon, V.

    2014-08-15

    The symmetry of a Direct-Drive (DD) irradiation scheme has been analyzed by means of three-dimensional (3D) simulations carried out by the code MULTI (R. Ramis et al., Comput. Phys. Commun. 49, 475 (1988)) that includes hydrodynamics, heat transport, and 3D laser ray-tracing. The implosion phase of a target irradiated by the Laser Megajoule (LMJ) facility in the context of the Shock Ignition scheme has been considered. The LMJ facility has been designed for Indirect-Drive, and by this reason that the irradiation scheme must be modified when used for DD. Thus, to improve the implosion uniformity to acceptable levels, the beam centerlines should be realigned and the beam power balance should be adjusted. Several alternatives with different levels of complexity are presented and discussed.

  6. A PARALIND Decomposition-Based Coherent Two-Dimensional Direction of Arrival Estimation Algorithm for Acoustic Vector-Sensor Arrays

    PubMed Central

    Zhang, Xiaofei; Zhou, Min; Li, Jianfeng

    2013-01-01

    In this paper, we combine the acoustic vector-sensor array parameter estimation problem with the parallel profiles with linear dependencies (PARALIND) model, which was originally applied to biology and chemistry. Exploiting the PARALIND decomposition approach, we propose a blind coherent two-dimensional direction of arrival (2D-DOA) estimation algorithm for arbitrarily spaced acoustic vector-sensor arrays subject to unknown locations. The proposed algorithm works well to achieve automatically paired azimuth and elevation angles for coherent and incoherent angle estimation of acoustic vector-sensor arrays, as well as the paired correlated matrix of the sources. Our algorithm, in contrast with conventional coherent angle estimation algorithms such as the forward backward spatial smoothing (FBSS) estimation of signal parameters via rotational invariance technique (ESPRIT) algorithm, not only has much better angle estimation performance, even for closely-spaced sources, but is also available for arbitrary arrays. Simulation results verify the effectiveness of our algorithm. PMID:23604030

  7. Direct-numerical simulation of the glottal jet and vocal-fold dynamics in a three-dimensional laryngeal model.

    PubMed

    Zheng, X; Mittal, R; Xue, Q; Bielamowicz, S

    2011-07-01

    An immersed-boundary method based flow solver coupled with a finite-element solid dynamics solver is employed in order to conduct direct-numerical simulations of phonatory dynamics in a three-dimensional model of the human larynx. The computed features of the glottal flow including mean and peak flow rates, and the open and skewness quotients are found to be within the normal physiological range. The flow-induced vibration pattern shows the classical "convergent-divergent" glottal shape, and the vibration amplitude is also found to be typical for human phonation. The vocal fold motion is analyzed through the method of empirical eigenfunctions and this analysis indicates a 1:1 modal entrainment between the "adduction-abduction" mode and the "mucosal wave" mode. The glottal jet is found to exhibit noticeable cycle-to-cycle asymmetric deflections and the mechanism underlying this phenomenon is examined. PMID:21786908

  8. Quantitative MCsn+ - SIMS for direct compositional analysis of interfaces of low-dimensional structures

    NASA Astrophysics Data System (ADS)

    Chakraborty, Purushottam

    2012-06-01

    Excellent detection sensitivity, high dynamic range and good depth resolution make the Secondary ion Mass spectrometry (SIMS) technique extremely powerful for the chemical analysis of surfaces and interfaces of condensed matter systems. However, a serious problem in SIMS analysis is its "matrix effect" that hinders the quantification of a certain species in a sample and consequently, probing the composition of surfaces or interfaces by SIMS is greatly hindered. Appropriate corrective measures are therefore, needed to calibrate the secondary ion currents into respective concentrations for accurate compositional analysis. Working in the MCs+-SIMS mode (M - element to be analyzed, Cs+ - bombarding ions) can circumvent the matrix effect. The emission process for the species M0 is decoupled from the MCs+ ion formation process, in analogy with the ion formation in secondary neutral mass spectrometry (SNMS), resulting in a drastic decrease in matrix effect in the MCs+ - SIMS mode. Although this technique has found its applicability in direct quantification, it generally suffers from a low useful yield. In such cases, detection of MCsn+ (n = 2, 3, ...) molecular ions offers a better sensitivity (even by several orders of magnitude), as the yields of such molecular ion complexes have often been found to be higher than that of MCs+ ions. Several works have been reported on the emission of MCsn + molecular ions, but a complete understanding on the formation mechanisms of these ion complexes is still lacking. However, irrespective of the formation mechanisms, MCsn +-SIMS technique in all its complexities has great relevance in the elemental analysis of materials. The talk will address on the possible formation mechanisms and potential applications of MCsn+ molecular ion complexes in the interfacial analysis of ultrathin films, metallic multilayers, semiconductor superlattices, quantum structures and also in the compositional analysis of MBE grown Si1-xGex alloys.

  9. Directional migration and differentiation of neural stem cells within three-dimensional microenvironments.

    PubMed

    Shamloo, Amir; Heibatollahi, Motahare; Mofrad, Mohammad R K

    2015-03-01

    Harnessing neural stem cells to repair neuronal damage is a promising potential treatment for neuronal diseases. To enable future therapeutic efficacy, the survival, proliferation, migration and differentiation of neural stem/progenitor cells (NPCs) should be accurately studied and optimized in in vitro platforms before transplanting these cells into the body for treatment purposes. Such studies can determine the appropriate quantities of the biochemical and biomechanical factors needed to control and optimize NPC behavior in vivo. In this study, NPCs were cultured within a microfluidic device while being encapsulated within the collagen matrix. The migration and differentiation of NPCs were studied in response to varying concentrations of nerve growth factor (NGF) and within varying densities of collagen matrices. It was shown that the migration and differentiation of NPCs can be significantly improved by providing the appropriate range of NGF concentrations while encapsulating the cells within the collagen matrix of optimal density. In particular, it was observed that within collagen matrices of intermediate density (0.9 mg ml(-1)), NPCs have a higher ability to migrate farther and in a collective manner while their differentiation into neurons is significantly higher and the cells can form protrusions and connections with their neighboring cells. Within collagen matrices with higher densities (1.8 mg ml(-1)), the cells did not migrate significantly as compared to the ones within lower matrix densities; within the matrices with lower collagen densities (0.45 mg ml(-1)) most of the cells migrated in an individual manner. However, no significant differentiation into neurons was observed for these two cases. It was also found that depending on the collagen matrix density, a minimum concentration of NGF caused a collective migration of NPCs, and a minimum concentration gradient of this factor stimulated the directional navigation of the cells. The results of this

  10. Development of a gallium-doped germanium far-infrared photoconductor direct hybrid two-dimensional array.

    PubMed

    Fujiwara, Mikio; Hirao, Takanori; Kawada, Mitsunobu; Shibai, Hiroshi; Matsuura, Shuji; Kaneda, Hidehiro; Patrashin, Mikhail; Nakagawa, Takao

    2003-04-20

    To our knowledge, we are the first to successfully report a direct hybrid two-dimensional (2D) detector array in the far-infrared region. Gallium-doped germanium (Ge:Ga) has been used extensively to produce sensitive far-infrared detectors with a cutoff wavelength of approximately equal to 110 microm (2.7 THz). It is widely used in the fields of astronomy and molecular and solid spectroscopy. However, Ge:Ga photoconductors must be cooled below 4.2 K to reduce thermal noise, and this operating condition makes it difficult to develop a large format array because of the need for a warm amplifier. Development of Ge:Ga photoconductor arrays to take 2D terahertz images is now an important target in such research fields as space astronomy. We present the design of a 20 x 3 Ge:Ga far-infrared photoconductor array directly hybridized to a Si p-type metal-oxide-semiconductor readout integrated circuit using indium-bump technology. The main obstacles in creating this 2D array were (1) fabricating a monolithic Ge:Ga 2D array with a longitudinal configuration, (2) developing a cryogenic capacitive transimpedance amplifer, and (3) developing a technology for connecting the detector to the electronics. With this technology, a prototype Ge:Ga photoconductor with a direct hybrid structure has shown a responsivity as high as 14.6 A/W and a minimum detectable power of 5.6 x 10(-17) W for an integration time of 0.14 s when it was cooled to 2.1 K. Its noise is limited by the readout circuit with 20 microV/Hz(1/2) at 1 Hz. Vibration and cooling tests demonstrated that this direct hybrid structure is strong enough for spaceborne instruments. This detector array will be installed on the Japanese infrared satellite ASTRO-F. PMID:12716158

  11. Diversity-oriented synthesis of acyclic nucleosides via ring-opening of vinyl cyclopropanes with purines.

    PubMed

    Niu, Hong-Ying; Du, Cong; Xie, Ming-Sheng; Wang, Yong; Zhang, Qian; Qu, Gui-Rong; Guo, Hai-Ming

    2015-02-25

    The diversity-oriented synthesis of acyclic nucleosides has been achieved via ring-opening of vinyl cyclopropanes with purines. With Pd2(dba)3·CHCl3 as a catalyst, the 1,5-ring-opening reaction proceeded well and afforded N9 adducts as the major form, in which the C=C bonds in the side chain were exclusively E-form. In the presence of AlCl3, the 1,3-ring-opening reaction occurred smoothly, giving N9 adducts as the dominate products. Meanwhile, when MgI2 was used as the catalyst, the 1,3-ring-opening reaction also worked well to form N7 adducts. PMID:25572827

  12. Antimalarial activity of prodrugs of N-branched acyclic nucleoside phosphonate inhibitors of 6-oxopurine phosphoribosyltransferases.

    PubMed

    Hocková, Dana; Janeba, Zlatko; Naesens, Lieve; Edstein, Michael D; Chavchich, Marina; Keough, Dianne T; Guddat, Luke W

    2015-09-01

    Acyclic nucleoside phosphonates (ANPs) that contain a 6-oxopurine base are good inhibitors of the human and Plasmodium falciparum 6-oxopurine phosphoribosyltransferases (PRTs), key enzymes of the purine salvage pathway. Chemical modifications, based on the crystal structures of several inhibitors in complex with the human PRTase, led to the design of a new class of inhibitors--the aza-ANPs. Because of the negative charges of the phosphonic acid moiety, their ability to cross cell membranes is, however, limited. Thus, phosphoramidate prodrugs of the aza-ANPs were prepared to improve permeability. These prodrugs arrest parasitemia with IC50 values in the micromolar range against Plasmodium falciparum-infected erythrocyte cultures (both chloroquine-sensitive and chloroquine-resistant Pf strains). The prodrugs exhibit low cytotoxicity in several human cell lines. Thus, they fulfill two essential criteria to qualify them as promising antimalarial drug leads. PMID:26275679

  13. Molecular Motion of the Junction Points in Model Networks Prepared by Acyclic Triene Metathesis.

    PubMed

    da Silva, Lucas Caire; Bowers, Clifford R; Graf, Robert; Wagener, Kenneth B

    2016-03-01

    The junction dynamics in a selectively deuterated model polymer network containing junctions on every 21st chain carbon is studied by solid state (2) H echo NMR. Polymer networks are prepared via acyclic triene metathesis of deuteron-labeled symmetric trienes with deuteron probes precisely placed at the alpha carbon relative to the junction point. The effect of decreasing the cross-link density on the junction dynamics is studied by introduction of polybutadiene chains in-between junctions. The networks are characterized by swelling, gel content, and solid state (1) H MAS NMR. Line shape analysis of the (2) H quadrupolar echo spectra reveals that the degree of motion anisotropy and the distribution of motion correlation times depend on the cross-link density and structural heterogeneity of the polymer networks. A detailed model of the junction dynamics at different temperatures is proposed and explained in terms of the intermolecular cooperativity in densely-packed systems. PMID:26787457

  14. The Acyclic Retinoid Peretinoin Inhibits Hepatitis C Virus Replication and Infectious Virus Release in Vitro

    NASA Astrophysics Data System (ADS)

    Shimakami, Tetsuro; Honda, Masao; Shirasaki, Takayoshi; Takabatake, Riuta; Liu, Fanwei; Murai, Kazuhisa; Shiomoto, Takayuki; Funaki, Masaya; Yamane, Daisuke; Murakami, Seishi; Lemon, Stanley M.; Kaneko, Shuichi

    2014-04-01

    Clinical studies suggest that the oral acyclic retinoid Peretinoin may reduce the recurrence of hepatocellular carcinoma (HCC) following surgical ablation of primary tumours. Since hepatitis C virus (HCV) infection is a major cause of HCC, we assessed whether Peretinoin and other retinoids have any effect on HCV infection. For this purpose, we measured the effects of several retinoids on the replication of genotype 1a, 1b, and 2a HCV in vitro. Peretinoin inhibited RNA replication for all genotypes and showed the strongest antiviral effect among the retinoids tested. Furthermore, it reduced infectious virus release by 80-90% without affecting virus assembly. These effects could be due to reduced signalling from lipid droplets, triglyceride abundance, and the expression of mature sterol regulatory element-binding protein 1c and fatty acid synthase. These negative effects of Peretinoin on HCV infection may be beneficial in addition to its potential for HCC chemoprevention in HCV-infected patients.

  15. Halogen bonding in water results in enhanced anion recognition in acyclic and rotaxane hosts.

    PubMed

    Langton, Matthew J; Robinson, Sean W; Marques, Igor; Félix, Vítor; Beer, Paul D

    2014-12-01

    Halogen bonding (XB), the attractive interaction between an electron-deficient halogen atom and a Lewis base, has undergone a dramatic development as an intermolecular force analogous to hydrogen bonding (HB). However, its utilization in the solution phase remains underdeveloped. Furthermore, the design of receptors capable of strong and selective recognition of anions in water remains a significant challenge. Here we demonstrate the superiority of halogen bonding over hydrogen bonding for strong anion binding in water, to the extent that halide recognition by a simple acyclic mono-charged receptor is achievable. Quantification of iodide binding by rotaxane hosts reveals the strong binding by the XB-rotaxane is driven exclusively by favourable enthalpic contributions arising from the halogen-bonding interactions, whereas weaker association with the HB-rotaxanes is entropically driven. These observations demonstrate the unique nature of halogen bonding in water as a strong alternative interaction to the ubiquitous hydrogen bonding in molecular recognition and assembly. PMID:25411880

  16. Generation and exploitation of acyclic azomethine imines in chiral Brønsted acid catalysis

    NASA Astrophysics Data System (ADS)

    Hashimoto, Takuya; Kimura, Hidenori; Kawamata, Yu; Maruoka, Keiji

    2011-08-01

    Successful implementation of a catalytic asymmetric synthesis strategy to produce enantiomerically enriched compounds requires the adoption of suitable prochiral substrates. The combination of an azomethine imine electrophile with various nucleophiles could give straightforward access to a number of synthetically useful chiral hydrazines, but is used rarely. Here we report the exploitation of acyclic azomethine imines as a new type of prochiral electrophile. They can be generated in situ by the condensation of N‧-benzylbenzoylhydrazide with a variety of aldehydes in the presence of a catalytic amount of an axially chiral dicarboxylic acid. By trapping these electrophiles with alkyl diazoacetate or (diazomethyl)phosphonate nucleophiles, we produced a diverse array of chiral α-diazo-β-hydrazino esters and phosphonates with excellent enantioselectivities.

  17. Versatile synthesis of oxime-containing acyclic nucleoside phosphonates--synthetic solutions and antiviral activity.

    PubMed

    Solyev, Pavel N; Jasko, Maxim V; Kleymenova, Alla A; Kukhanova, Marina K; Kochetkov, Sergey N

    2015-11-28

    New oxime-containing acyclic nucleoside phosphonates 9-{2-[(phosphonomethyl)oximino]ethyl}adenine (1), -guanine (2) and 9-{2-[(phosphonomethyl)oximino]propyl}adenine (3) with wide spectrum activity against different types of viruses were synthesized. The key intermediate, diethyl aminooxymethylphosphonate, was obtained by the Mitsunobu reaction. Modified conditions for the by-product separation (without chromatography and distillation) allowed us to obtain 85% yield of the aminooxy intermediate. The impact of DBU and Cs2CO3 on the N(9)/N(7) product ratio for adenine and guanine alkylation was studied. A convenient procedure for aminooxy group detection was found. The synthesized phosphonates were tested and they appeared to display moderate activity against different types of viruses (HIV, herpes viruses in cell cultures, and hepatitis C virus in the replicon system) without toxicity up to 1000 μM. PMID:26383895

  18. Acyclic N-halamine-immobilized polyurethane: Preparation and antimicrobial and biofilm-controlling functions

    PubMed Central

    Luo, Jie; Porteous, Nuala; Lin, Jiajin; Sun, Yuyu

    2015-01-01

    Hydroxyl groups were introduced onto polyurethane surfaces through 1,6-hexamethylene diisocyanate activation, followed by diethanolamine hydroxylation. Polymethacrylamide was covalently attached to the hydroxylated polyurethane through surface grafting polymerization of methacrylamide using cerium (IV) ammonium nitrate as an initiator. After bleach treatment, the amide groups of the covalently bound polymethacrylamide chains were transformed into N-halamines. The new N-halamine-immobilized polyurethane provided a total sacrifice of 107–108 colony forming units per milliliter of Staphylococcus aureus (Gram-positive bacteria), Escherichia coli (Gram-negative bacteria), and Candida albicans (fungi) within 10 min and successfully prevented bacterial and fungal biofilm formation. The antimicrobial and biofilm-controlling effects were both durable and rechargeable, pointing to great potentials of the new acyclic N-halamine-immobilized polyurethane for a broad range of related applications. PMID:26089593

  19. Acyclic Immucillin Phosphonates. Second-Generation Inhibitors of Plasmodium falciparum Hypoxanthine- Guanine-Xanthine Phosphoribosyltransferase

    SciTech Connect

    Hazelton, Keith Z.; Ho, Meng-Chaio; Cassera, Maria B.; Clinch, Keith; Crump, Douglas R.; Rosario Jr., Irving; Merino, Emilio F.; Almo, Steve C.; Tyler, Peter C.; Schramm, Vern L.

    2012-06-22

    We found that Plasmodium falciparum is the primary cause of deaths from malaria. It is a purine auxotroph and relies on hypoxanthine salvage from the host purine pool. Purine starvation as an antimalarial target has been validated by inhibition of purine nucleoside phosphorylase. Hypoxanthine depletion kills Plasmodium falciparum in cell culture and in Aotus monkey infections. Hypoxanthine-guanine-xanthine phosphoribosyltransferase (HGXPRT) from P. falciparum is required for hypoxanthine salvage by forming inosine 5'-monophosphate, a branchpoint for all purine nucleotide synthesis in the parasite. We present a class of HGXPRT inhibitors, the acyclic immucillin phosphonates (AIPs), and cell permeable AIP prodrugs. The AIPs are simple, potent, selective, and biologically stable inhibitors. The AIP prodrugs block proliferation of cultured parasites by inhibiting the incorporation of hypoxanthine into the parasite nucleotide pool and validates HGXPRT as a target in malaria.

  20. Acyclic hydrocarbon environments ⩾ n-C 18 on the early terrestrial planets

    NASA Astrophysics Data System (ADS)

    Marcano, Vicente; Benitez, Pedro; Palacios-Prü, Ernesto

    2003-03-01

    The possible occurrence on the surface of the early Earth, Mars and Venus of hydrocarbon environments mainly composed by acyclic alkane molecules ⩾ n-C 18 has been revised. These hydrocarbons could be accumulated from the contribution of endogenous Fischer-Tropsh-type reactions and post-impact recombination reactions, as well as from exogenous sources such as comets, meteorites and dust particles. Such heavy alkane environments could offer protection for the synthesis and survival of biomolecules on the early terrestrial planets. Amounts of heavy n-alkanes delivered by large impactors, dust particles or produced by post-impact recombination on Venus would have been higher than those delivered or produced by the same sources on Earth and Mars before 3600 Myr ago. However, the high values of the total frequency of impacts by bolides >14-km in diameter estimated in this time period (viz. 3.9×10 3, Mars; 2.2×10 4, Earth, and 3.8×10 4 Venus) and the high surface temperatures generated by those impactors suggest the existence of very unstable conditions on the early terrestrial planets for the survival and long-term accumulation of acyclic hydrocarbons. Therefore, the most significant accumulation of n-alkanes could have occurred only during the longer intervals (10 5- 10 7 yr) between each impact through the contribution mainly of IDPs, and thereby a high decomposition rate would be expected for the accumulated n-alkanes by successive impacts. Amounts of n-alkanes accumulated from IDPs in these intervals have been estimated between 2.3×10 9 and 2.2×10 10 kg 3600- 3800 Myr ago. These processes are expected to occur on other planetary bodies or satellites belonging to our solar system and probably in analogs of the early solar system.

  1. Application of a Three-Dimensional Shell Theory to the Free Vibration of Shells Arbitrarily Deep in One Direction

    NASA Astrophysics Data System (ADS)

    YOUNG, P. G.

    2000-11-01

    A three-dimensional shell theory is presented which is applicable to doubly curved thick open shells which are arbitrarily deep (have a large side-length to radius of curvature ratio) in one principal direction but are shallow in the other direction. The strain-displacement equations for the proposed “deep-shallow” shell theory are expressed in Cartesian co-ordinates and the limits of applicability of these equations are discussed. These equations are then used in a Ritz variational formulation with algebraic polynomials as trial functions to solve for the natural frequencies of a number of doubly curved shell problems. A novel approach is also proposed in which penalty functions are introduced to enforce continuity of displacements at two opposite ends of a shell of rectangular platform, increasing the range of problems which can be treated to include closed shells, such as cylinders, barrels, cooling-tower-type structures, toroids, rings, etc. (a sub-class of shells of revolution).

  2. Direct experimental visualization of the global Hamiltonian progression of two-dimensional Lagrangian flow topologies from integrable to chaotic state

    SciTech Connect

    Baskan, O.; Clercx, H. J. H; Speetjens, M. F. M.; Metcalfe, G.

    2015-10-15

    Countless theoretical/numerical studies on transport and mixing in two-dimensional (2D) unsteady flows lean on the assumption that Hamiltonian mechanisms govern the Lagrangian dynamics of passive tracers. However, experimental studies specifically investigating said mechanisms are rare. Moreover, they typically concern local behavior in specific states (usually far away from the integrable state) and generally expose this indirectly by dye visualization. Laboratory experiments explicitly addressing the global Hamiltonian progression of the Lagrangian flow topology entirely from integrable to chaotic state, i.e., the fundamental route to efficient transport by chaotic advection, appear non-existent. This motivates our study on experimental visualization of this progression by direct measurement of Poincaré sections of passive tracer particles in a representative 2D time-periodic flow. This admits (i) accurate replication of the experimental initial conditions, facilitating true one-to-one comparison of simulated and measured behavior, and (ii) direct experimental investigation of the ensuing Lagrangian dynamics. The analysis reveals a close agreement between computations and observations and thus experimentally validates the full global Hamiltonian progression at a great level of detail.

  3. Direct method of three-dimensional imaging using the multiple-wavelength range-gated active imaging principle.

    PubMed

    Matwyschuk, Alexis

    2016-05-10

    The tomography executed with mono-wavelength active imaging systems uses the recording of several images to restore a three-dimensional (3D) scene. Thus, in order to show the depth in the scene, a different color is attributed to each recorded image. Therefore, the 3D restoration depends on the video frame rate of the camera. By using a multiple-wavelength range-gated active imaging system, it is possible to restore the 3D scene directly in a single image at the moment of recording with a video camera. Each emitted light pulse with a different wavelength corresponds to a visualized zone at a different distance in the scene. The camera shutter opens just once during the emission of light pulses with the different wavelengths. Thus, the restoration can be executed in real time with regard to the video frame rate of the camera. From an analytical model and from a graphical approach, we demonstrated the feasibility of this new method of 3D restoration. The non-overlapping conditions between two consecutive visualized zones are analyzed. The experimental test results confirm these different conditions and validate the theoretical principle to directly restore the 3D scene in a color image with a multiple-wavelength laser source, an RGB filter, and a triggerable intensified camera. PMID:27168293

  4. Direct experimental visualization of the global Hamiltonian progression of two-dimensional Lagrangian flow topologies from integrable to chaotic state

    NASA Astrophysics Data System (ADS)

    Baskan, O.; Speetjens, M. F. M.; Metcalfe, G.; Clercx, H. J. H.

    2015-10-01

    Countless theoretical/numerical studies on transport and mixing in two-dimensional (2D) unsteady flows lean on the assumption that Hamiltonian mechanisms govern the Lagrangian dynamics of passive tracers. However, experimental studies specifically investigating said mechanisms are rare. Moreover, they typically concern local behavior in specific states (usually far away from the integrable state) and generally expose this indirectly by dye visualization. Laboratory experiments explicitly addressing the global Hamiltonian progression of the Lagrangian flow topology entirely from integrable to chaotic state, i.e., the fundamental route to efficient transport by chaotic advection, appear non-existent. This motivates our study on experimental visualization of this progression by direct measurement of Poincaré sections of passive tracer particles in a representative 2D time-periodic flow. This admits (i) accurate replication of the experimental initial conditions, facilitating true one-to-one comparison of simulated and measured behavior, and (ii) direct experimental investigation of the ensuing Lagrangian dynamics. The analysis reveals a close agreement between computations and observations and thus experimentally validates the full global Hamiltonian progression at a great level of detail.

  5. Direct reconstruction in CT-analogous pharmacokinetic diffuse fluorescence tomography: two-dimensional simulative and experimental validations

    NASA Astrophysics Data System (ADS)

    Wang, Xin; Zhang, Yanqi; Zhang, Limin; Li, Jiao; Zhou, Zhongxing; Zhao, Huijuan; Gao, Feng

    2016-04-01

    We present a generalized strategy for direct reconstruction in pharmacokinetic diffuse fluorescence tomography (DFT) with CT-analogous scanning mode, which can accomplish one-step reconstruction of the indocyanine-green pharmacokinetic-rate images within in vivo small animals by incorporating the compartmental kinetic model into an adaptive extended Kalman filtering scheme and using an instantaneous sampling dataset. This scheme, compared with the established indirect and direct methods, eliminates the interim error of the DFT inversion and relaxes the expensive requirement of the instrument for obtaining highly time-resolved date-sets of complete 360 deg projections. The scheme is validated by two-dimensional simulations for the two-compartment model and pilot phantom experiments for the one-compartment model, suggesting that the proposed method can estimate the compartmental concentrations and the pharmacokinetic-rates simultaneously with a fair quantitative and localization accuracy, and is well suitable for cost-effective and dense-sampling instrumentation based on the highly-sensitive photon counting technique.

  6. Direct reconstruction in CT-analogous pharmacokinetic diffuse fluorescence tomography: two-dimensional simulative and experimental validations.

    PubMed

    Wang, Xin; Zhang, Yanqi; Zhang, Limin; Li, Jiao; Zhou, Zhongxing; Zhao, Huijuan; Gao, Feng

    2016-04-30

    We present a generalized strategy for direct reconstruction in pharmacokinetic diffuse fluorescence tomography (DFT) with CT-analogous scanning mode, which can accomplish one-step reconstruction of the indocyanine-green pharmacokinetic-rate images within in vivo small animals by incorporating the compartmental kinetic model into an adaptive extended Kalman filtering scheme and using an instantaneous sampling dataset. This scheme, compared with the established indirect and direct methods, eliminates the interim error of the DFT inversion and relaxes the expensive requirement of the instrument for obtaining highly time-resolved date-sets of complete 360 deg projections. The scheme is validated by two-dimensional simulations for the two-compartment model and pilot phantom experiments for the one-compartment model, suggesting that the proposed method can estimate the compartmental concentrations and the pharmacokinetic-rates simultaneously with a fair quantitative and localization accuracy, and is well suitable for cost-effective and dense-sampling instrumentation based on the highly-sensitive photon counting technique. PMID:27093958

  7. A multi-directional backlight for a wide-angle, glasses-free three-dimensional display.

    PubMed

    Fattal, David; Peng, Zhen; Tran, Tho; Vo, Sonny; Fiorentino, Marco; Brug, Jim; Beausoleil, Raymond G

    2013-03-21

    Multiview three-dimensional (3D) displays can project the correct perspectives of a 3D image in many spatial directions simultaneously. They provide a 3D stereoscopic experience to many viewers at the same time with full motion parallax and do not require special glasses or eye tracking. None of the leading multiview 3D solutions is particularly well suited to mobile devices (watches, mobile phones or tablets), which require the combination of a thin, portable form factor, a high spatial resolution and a wide full-parallax view zone (for short viewing distance from potentially steep angles). Here we introduce a multi-directional diffractive backlight technology that permits the rendering of high-resolution, full-parallax 3D images in a very wide view zone (up to 180 degrees in principle) at an observation distance of up to a metre. The key to our design is a guided-wave illumination technique based on light-emitting diodes that produces wide-angle multiview images in colour from a thin planar transparent lightguide. Pixels associated with different views or colours are spatially multiplexed and can be independently addressed and modulated at video rate using an external shutter plane. To illustrate the capabilities of this technology, we use simple ink masks or a high-resolution commercial liquid-crystal display unit to demonstrate passive and active (30 frames per second) modulation of a 64-view backlight, producing 3D images with a spatial resolution of 88 pixels per inch and full-motion parallax in an unprecedented view zone of 90 degrees. We also present several transparent hand-held prototypes showing animated sequences of up to six different 200-view images at a resolution of 127 pixels per inch. PMID:23518562

  8. Three-dimensional construction and omni-directional rolling analysis of a novel frame-like lattice modular robot

    NASA Astrophysics Data System (ADS)

    Ding, Wan; Wu, Jianxu; Yao, Yan'an

    2015-07-01

    Lattice modular robots possess diversity actuation methods, such as electric telescopic rod, gear rack, magnet, robot arm, etc. The researches on lattice modular robots mainly focus on their hardware descriptions and reconfiguration algorithms. Meanwhile, their design architectures and actuation methods perform slow telescopic and moving speeds, relative low actuation force verse weight ratio, and without internal space to carry objects. To improve the mechanical performance and reveal the locomotion and reconfiguration binary essences of the lattice modular robots, a novel cube-shaped, frame-like, pneumatic-based reconfigurable robot module called pneumatic expandable cube(PE-Cube) is proposed. The three-dimensional(3D) expanding construction and omni-directional rolling analysis of the constructed robots are the main focuses. The PE-Cube with three degrees of freedom(DoFs) is assembled by replacing the twelve edges of a cube with pneumatic cylinders. The proposed symmetric construction condition makes the constructed robots possess the same properties in each supporting state, and a binary control strategy cooperated with binary actuator(pneumatic cylinder) is directly adopted to control the PE-Cube. Taking an eight PE-Cube modules' construction as example, its dynamic rolling simulation, static rolling condition, and turning gait are illustrated and discussed. To testify telescopic synchronization, respond speed, locomotion feasibility, and repeatability and reliability of hardware system, an experimental pneumatic-based robotic system is built and the rolling and turning experiments of the eight PE-Cube modules' construction are carried out. As an extension, the locomotion feasibility of a thirty-two PE-Cube modules' construction is analyzed and proved, including dynamic rolling simulation, static rolling condition, and dynamic analysis in free tipping process. The proposed PE-Cube module, construction method, and locomotion analysis enrich the family of the

  9. Electrochemically Functionalized Seamless Three-Dimensional Graphene-Carbon Nanotube Hybrid for Direct Electron Transfer of Glucose Oxidase and Bioelectrocatalysis.

    PubMed

    Terse-Thakoor, Trupti; Komori, Kikuo; Ramnani, Pankaj; Lee, Ilkeun; Mulchandani, Ashok

    2015-12-01

    Three-dimensional seamless chemical vapor deposition (CVD) grown graphene-carbon nanotubes (G-CNT) hybrid film has been studied for its potential in achieving direct electron transfer (DET) of glucose oxidase (GOx) and its bioelectrocatalytic activity in glucose detection. A two-step CVD method was employed for the synthesis of seamless G-CNT hybrid film where CNTs are grown on already grown graphene film on copper foil using iron as a catalyst. Physical characterization using SEM and TEM show uniform dense coverage of multiwall carbon nanotubes (MWCNT) grown directly on graphene with seamless contacts. The G-CNT hybrid film was electrochemically modified to introduce oxygenated functional groups for DET favorable immobilization of GOx. Pristine and electrochemically functionalized G-CNT film was characterized by electrochemical impedance spectroscopy (EIS), cyclic voltammetry, X-ray photoelectron-spectroscopy, and Raman spectroscopy. The DET between GOx and electrochemically oxidized G-CNT electrode was studied using cyclic voltammetry which showed a pair of well-defined and quasi-reversible redox peaks with a formal potential of -459 mV at pH 7 corresponding to the redox site of GOx. The constructed electrode detected glucose concentration over the clinically relevant range of 2-8 mM with the highest sensitivity of 19.31 μA/mM/cm(2) compared to reported composite hybrid electrodes of graphene oxide and CNTs. Electrochemically functionalized CVD grown seamless G-CNT structure used in this work has potential to be used for development of artificial mediatorless redox enzyme based biosensors and biofuel cells. PMID:26551320

  10. ABWR start-up test analysis using BWR core simulator with three-dimensional direct response matrix method

    SciTech Connect

    Mitsuyasu, T.; Ishii, K.; Hino, T.; Aoyama, M.

    2012-07-01

    The ABWR start-up test analysis has been done with the BWR core simulator using the three--dimensional direct response matrix (3D-DRM) method. The Monte Carlo code VMONT made the sub-response matrices for the 3D-DRM method. Each boundary surface was subdivided by 4 x 4 for transverse segments, by 4 for angular segments and by 4 for axial zones in a node. For the calculation speedup, the 3D-DRM code used the divided sub-response matrices data set. The code used the MPI and OpenMP for the parallelized method. The median value is set as the average critical eigenvalues. The changes from the maximum value to the minimum value are 0.34 %{Delta}k with the spectral history method and 0.40 %{Delta}k without it, and the respective standard deviations were 0.12 % and 0.14 %. Using the spectral history method decreased the variation by 0.06 %{Delta}k. The root mean square differences of the axial power distribution were about 6 % between the analysis results and the plant data. Using the currents which converged in the previous exposure step reduced the number of iterations when the CR pattern changed only slightly. The averaged calculation time for each exposure step was about 5 hours on 12 PC Linux cluster servers with Core 2 Quad 3 GHz. (authors)

  11. Accessing Three-Dimensional Crystals with Incorporated Guests through Metal-Directed Coiled-Coil Peptide Assembly.

    PubMed

    Nepal, Manish; Sheedlo, Michael J; Das, Chittaranjan; Chmielewski, Jean

    2016-08-31

    Obtaining three-dimensional (3D) protein and peptide crystals on demand requires a precisely orchestrated hierarchical assembly of biopolymer building blocks. In this work, we disclose a metal-ion-mediated strategy to assemble trimeric coiled-coil peptides in a head-to-tail fashion into linear strands with interstrand interactions. This design led to hexagonal 3D peptide crystal formation within 30 min in the presence of divalent metal ions. The crystal morphology could be controlled by varying the metal ion/peptide ratio, resulting in hexagonal discs to rods. Diffraction studies elucidated the head-to-tail arrangement of the coiled-coil linear strands and their hexagonal, antiparallel packing within the crystal. Unsatisfied ligands at the hexagonal ends of the crystals were harnessed as a powerful means to direct His-tagged fluorophores to distinct locations within the crystals. Overall, the designed hierarchical assembly provides a facile means to obtain 3D peptide crystals and incorporate His-tag-based cargoes and may have potential use in drug delivery and sensor design. PMID:27500907

  12. Nanoscale surface chemistry directs the tunable assembly of silver octahedra into three two-dimensional plasmonic superlattices

    PubMed Central

    Lee, Yih Hong; Shi, Wenxiong; Lee, Hiang Kwee; Jiang, Ruibin; Phang, In Yee; Cui, Yan; Isa, Lucio; Yang, Yijie; Wang, Jianfang; Li, Shuzhou; Ling, Xing Yi

    2015-01-01

    A major challenge in nanoparticle self-assembly is programming the large-area organization of a single type of anisotropic nanoparticle into distinct superlattices with tunable packing efficiencies. Here we utilize nanoscale surface chemistry to direct the self-assembly of silver octahedra into three distinct two-dimensional plasmonic superlattices at a liquid/liquid interface. Systematically tuning the surface wettability of silver octahedra leads to a continuous superlattice structural evolution, from close-packed to progressively open structures. Notably, silver octahedra standing on vertices arranged in a square lattice is observed using hydrophobic particles. Simulations reveal that this structural evolution arises from competing interfacial forces between the particles and both liquid phases. Structure-to-function characterizations reveal that the standing octahedra array generates plasmonic ‘hotstrips', leading to nearly 10-fold more efficient surface-enhanced Raman scattering compared with the other more densely packed configurations. The ability to assemble these superlattices on the wafer scale over various platforms further widens their potential applications. PMID:25923409

  13. Hierarchically structured one-dimensional TiO2 for protein immobilization, direct electrochemistry, and mediator-free glucose sensing.

    PubMed

    Si, Peng; Ding, Shujiang; Yuan, Jun; Lou, Xiong Wen David; Kim, Dong-Hwan

    2011-09-27

    A novel one-dimensional hierarchically structured TiO(2) (1DHS TiO(2)) was synthesized by a solvothermal method using multiwalled carbon nanotubes (MWCNTs) as a template and evaluated for the immobilization of protein and biosensing applications. Characterization studies showed that the 1DHS TiO(2) possessed an anatase crystalline structure and a large surface area with narrow pore size distribution. Fast direct electron transfer was observed for glucose oxidase (GOx) immobilized on the 1DHS TiO(2), and excellent electrocatalytic performance for glucose detection can be obtained without a mediator. The glucose sensor based on the GOx/1DHS TiO(2)-modified electrode had a high sensitivity of 9.90 μA mM(-1) cm(-2) and a low detection limit of 1.29 μM. The fabricated biosensor displayed good selectivity and long-term stability, indicating that the novel structured TiO(2) is a promising material for the immobilization of biomolecules and the fabrication of third-generation biosensors. PMID:21866956

  14. Bearing Abilities and Progressive Damage Analysis of Three Dimensional Four-Directional Braided Composites with Cut-Edge

    NASA Astrophysics Data System (ADS)

    Lei, Bing; Liu, Zhenguo; Ya, Jixuan; Wang, Yibo; Li, Xiaokang

    2016-08-01

    Cut-edge is a kind of damage for the three-dimensional four-directional (3D4d) braided composites which is inevitable because of machining to meet requisite shape and working in the abominable environment. The longitudinal tensile experiment of the 3D4d braided composites with different braiding angles between cut-edge and the ones without cut-edge was conducted. Then representative volume cell (RVC) with interface zones was established to analyze the tensile properties through the fracture and damage mechanics. The periodic boundary conditions under the cut-edge and uncut-edge conditions were imposed to simulate the failure mechanism. Stress-strain distribution and the damage evolution nephogram in cut-edge condition were conducted. Numerical results were coincident with the experimental results. Finally the variation of cut-edge effect with the specimen thickness was simulated by superimposing inner cells. The consequence showed that thickness increase can effectively reduce cut-edge influence on longitudinal strength for 3D4d braided composites. Cut-edge simulation of braided composites has guiding significance on the actual engineering application.

  15. The Effects of Different Miniscrew Thread Designs and Force Directions on Stress Distribution by 3-dimensional Finite Element Analysis

    PubMed Central

    Fattahi, Hamidreza; Ajami, Shabnam; Nabavizadeh Rafsanjani, Ali

    2015-01-01

    Statement of the Problem The use of miniscrew as an absolute anchorage device in clinical orthodontics is growing increasingly. Many attempts have been made to reduce the size, to improve the design, and to increase the stability of miniscrew. Purpose The purpose of this study was to determine the effects of different thread shapes and force directions of orthodontic miniscrew on stress distribution in the supporting bone structure. Materials and Method A three-dimensional finite element analysis was used. A 200-cN force in three angles (0°, 45°, and 90°) was applied on the head of the miniscrew. The stress distribution between twelve thread shapes was investigated as categorized in four main groups; buttress, reverse buttress, square, and V-shape. Results Stress distribution was not significantly different among different thread shapes. The maximum amount of bone stress at force angles 0°, 45°, and 90° were 38.90, 30.57 and 6.62 MPa, respectively. Analyzing the von Mises stress values showed that in all models, the maximum stress was concentrated on the lowest diameter of the shank, especially the part that was in the soft tissue and cervical cortical bone regions. Conclusion There was no relation between thread shapes and von Mises stress distribution in the bone; however, different force angles could affect the von Mises stress in the bone and miniscrew. PMID:26636123

  16. Bearing Abilities and Progressive Damage Analysis of Three Dimensional Four-Directional Braided Composites with Cut-Edge

    NASA Astrophysics Data System (ADS)

    Lei, Bing; Liu, Zhenguo; Ya, Jixuan; Wang, Yibo; Li, Xiaokang

    2016-04-01

    Cut-edge is a kind of damage for the three-dimensional four-directional (3D4d) braided composites which is inevitable because of machining to meet requisite shape and working in the abominable environment. The longitudinal tensile experiment of the 3D4d braided composites with different braiding angles between cut-edge and the ones without cut-edge was conducted. Then representative volume cell (RVC) with interface zones was established to analyze the tensile properties through the fracture and damage mechanics. The periodic boundary conditions under the cut-edge and uncut-edge conditions were imposed to simulate the failure mechanism. Stress-strain distribution and the damage evolution nephogram in cut-edge condition were conducted. Numerical results were coincident with the experimental results. Finally the variation of cut-edge effect with the specimen thickness was simulated by superimposing inner cells. The consequence showed that thickness increase can effectively reduce cut-edge influence on longitudinal strength for 3D4d braided composites. Cut-edge simulation of braided composites has guiding significance on the actual engineering application.

  17. Radiological image compression using error-free irreversible two-dimensional direct-cosine-transform coding techniques.

    PubMed

    Huang, H K; Lo, S C; Ho, B K; Lou, S L

    1987-05-01

    Some error-free and irreversible two-dimensional direct-cosine-transform (2D-DCT) coding, image-compression techniques applied to radiological images are discussed in this paper. Run-length coding and Huffman coding are described, and examples are given for error-free image compression. In the case of irreversible 2D-DCT coding, the block-quantization technique and the full-frame bit-allocation (FFBA) technique are described. Error-free image compression can achieve a compression ratio from 2:1 to 3:1, whereas the irreversible 2D-DCT coding compression technique can, in general, achieve a much higher acceptable compression ratio. The currently available block-quantization hardware may lead to visible block artifacts at certain compression ratios, but FFBA may be employed with the same or higher compression ratios without generating such artifacts. An even higher compression ratio can be achieved if the image is compressed by using first FFBA and then Huffman coding. The disadvantages of FFBA are that it is sensitive to sharp edges and no hardware is available. This paper also describes the design of the FFBA technique. PMID:3598750

  18. DIRECT INTEGRATION OF THE COLLISIONLESS BOLTZMANN EQUATION IN SIX-DIMENSIONAL PHASE SPACE: SELF-GRAVITATING SYSTEMS

    SciTech Connect

    Yoshikawa, Kohji; Umemura, Masayuki; Yoshida, Naoki

    2013-01-10

    We present a scheme for numerical simulations of collisionless self-gravitating systems which directly integrates the Vlasov-Poisson equations in six-dimensional phase space. Using the results from a suite of large-scale numerical simulations, we demonstrate that the present scheme can simulate collisionless self-gravitating systems properly. The integration scheme is based on the positive flux conservation method recently developed in plasma physics. We test the accuracy of our code by performing several test calculations, including the stability of King spheres, the gravitational instability, and the Landau damping. We show that the mass and the energy are accurately conserved for all the test cases we study. The results are in good agreement with linear theory predictions and/or analytic solutions. The distribution function keeps the property of positivity and remains non-oscillatory. The largest simulations are run on 64{sup 6} grids. The computation speed scales well with the number of processors, and thus our code performs efficiently on massively parallel supercomputers.

  19. Development of finite element analysis method for three-dimensional hot bending and direct quench (3DQ) process

    NASA Astrophysics Data System (ADS)

    Kubota, Hiroaki; Tomizawa, Atsushi; Yamamoto, Kenji; Okada, Nobuhiro

    2013-05-01

    The automotive industry has been focusing on developing lighter vehicles to improve fuel economy and crash safety. In order to meet these requirements, Three Dimensional Hot Bending and Direct Quench (3DQ) Technology has been developed, which enables a manufacturer to form hollow tubular automotive parts with a tensile strength of 1,470 MPa or over. 3DQ is a type of consecutive forming that allows bending and quenching at the same time, with a tube feeding device, an induction heater, a cooling device, and a bending device. In this research, a coupled thermomechanical-metallurgical finite element analysis (FEA) method has been developed to investigate the deformation behavior and to predict the forming capability of 3DQ. In the developed FEA procedure, the temperature distribution was calculated with electro magnetic and heat transfer analysis, and the flow stress was defined by transformation models and linear mixture rule. An experimental formula was used to track the ferrite-austenite transformation, and a Koistinen-Marburger relationship was employed to describe austenite-martensite change. The simulated results were compared with the experimental measurements, and the effectiveness of the developed FEA method was confirmed. Furthermore, the deformation characteristics of 3DQ, such as the wrinkling limit and the thickness change, were investigated, and simple equations to describe them were proposed.

  20. Three-dimensional direct observation of Gouy phase shift in a terajet produced by a dielectric cuboid

    NASA Astrophysics Data System (ADS)

    Nguyen Pham, Hai Huy; Hisatake, Shintaro; Minin, I. V.; Minin, O. V.; Nagatsuma, Tadao

    2016-05-01

    The generation of the terajet at the terahertz (THz) frequency with the capability of subwavelength beam-compression has been attracting increasing research interest, as did the generation of the nanojet at the optical frequency. In particular, a terajet generated from a dielectric cuboid was not previously studied experimentally in the THz region. We here experimentally demonstrate three-dimensional visualizations and characterization of a terajet generated from a dielectric cuboid with a refractive index of n = 1.46 at 125 GHz. The subwavelength compressed beam and the Gouy phase shift phenomena of the terajet are directly observed. It is also found out that a calculation model of Gouy phase shift based on focused Gaussian beam by a lens cannot explain the Gouy phase shift of compressed beam by the terajet. The intensity enhancement of about 7.4 dB and full width at half maximum of 0.6λ are obtained at the distance 0.5λ from the cuboid.

  1. Direct-write three-dimensional nanofabrication of nanopyramids and nanocones on Si by nanotumefaction using a helium ion microscope

    NASA Astrophysics Data System (ADS)

    Zhang, L.; Heinig, N. F.; Bazargan, S.; Abd-Ellah, M.; Moghimi, N.; Leung, K. T.

    2015-06-01

    The recently commercialized helium ion microscope (HIM) has already demonstrated its outstanding imaging capabilities in terms of resolution, surface sensitivity, depth of field and ease of charge compensation. Here, we show its exceptional patterning capabilities by fabricating dense lines and three-dimensional (3D) nanostructures on a Si substrate. Small focusing spot size and confined ion-Si interaction volume of a high-energy helium ion beam account for the high resolution in HIM patterning. We demonstrate that a set of resolvable parallel lines with a half pitch as small as 3.5 nm can be achieved. During helium ion bombardment of the Si surface, implantation outperforms milling due to the small mass of the helium ions, which produces tumefaction instead of depression in the Si surface. The Si surface tumefaction is the result of different kinetic processes including diffusion, coalescence and nanobubble formation of the implanted ions, and is found to be very stable structurally at room temperature. Under appropriate conditions, a linear dependence of the surface swollen height on the ion doses can be observed. This relation has enabled us to fabricate nanopyramids and nanocones, thus demonstrating that HIM patterning provides a new ‘bottom-up’ approach to fabricate 3D nanostructures. This surface tumefaction method is direct, both positioning and height accurate, and free of resist, etch, mode and precursor, and it promises new applications in nanoimprint mold fabrication and photomask clear defect reparation.

  2. Direct-write three-dimensional nanofabrication of nanopyramids and nanocones on Si by nanotumefaction using a helium ion microscope.

    PubMed

    Zhang, L; Heinig, N F; Bazargan, S; Abd-Ellah, M; Moghimi, N; Leung, K T

    2015-01-26

    The recently commercialized helium ion microscope (HIM) has already demonstrated its outstanding imaging capabilities in terms of resolution, surface sensitivity, depth of field and ease of charge compensation. Here, we show its exceptional patterning capabilities by fabricating dense lines and three-dimensional (3D) nanostructures on a Si substrate. Small focusing spot size and confined ion-Si interaction volume of a high-energy helium ion beam account for the high resolution in HIM patterning. We demonstrate that a set of resolvable parallel lines with a half pitch as small as 3.5 nm can be achieved. During helium ion bombardment of the Si surface, implantation outperforms milling due to the small mass of the helium ions, which produces tumefaction instead of depression in the Si surface. The Si surface tumefaction is the result of different kinetic processes including diffusion, coalescence and nanobubble formation of the implanted ions, and is found to be very stable structurally at room temperature. Under appropriate conditions, a linear dependence of the surface swollen height on the ion doses can be observed. This relation has enabled us to fabricate nanopyramids and nanocones, thus demonstrating that HIM patterning provides a new 'bottom-up' approach to fabricate 3D nanostructures. This surface tumefaction method is direct, both positioning and height accurate, and free of resist, etch, mode and precursor, and it promises new applications in nanoimprint mold fabrication and photomask clear defect reparation. PMID:26040204

  3. Comparison of one-dimensional probabilistic finite element method with direct numerical simulation of dynamically loaded heterogeneous materials

    NASA Astrophysics Data System (ADS)

    Robbins, Joshua; Voth, Thomas

    2011-06-01

    Material response to dynamic loading is often dominated by microstructure such as grain topology, porosity, inclusions, and defects; however, many models rely on assumptions of homogeneity. We use the probabilistic finite element method (WK Liu, IJNME, 1986) to introduce local uncertainty to account for material heterogeneity. The PFEM uses statistical information about the local material response (i.e., its expectation, coefficient of variation, and autocorrelation) drawn from knowledge of the microstructure, single crystal behavior, and direct numerical simulation (DNS) to determine the expectation and covariance of the system response (velocity, strain, stress, etc). This approach is compared to resolved grain-scale simulations of the equivalent system. The microstructures used for the DNS are produced using Monte Carlo simulations of grain growth, and a sufficient number of realizations are computed to ensure a meaningful comparison. Finally, comments are made regarding the suitability of one-dimensional PFEM for modeling material heterogeneity. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  4. Low-dimensional transport and large thermoelectric power factors in bulk semiconductors by band engineering of highly directional electronic states.

    PubMed

    Bilc, Daniel I; Hautier, Geoffroy; Waroquiers, David; Rignanese, Gian-Marco; Ghosez, Philippe

    2015-04-01

    Thermoelectrics are promising for addressing energy issues but their exploitation is still hampered by low efficiencies. So far, much improvement has been achieved by reducing the thermal conductivity but less by maximizing the power factor. The latter imposes apparently conflicting requirements on the band structure: a narrow energy distribution and a low effective mass. Quantum confinement in nanostructures and the introduction of resonant states were suggested as possible solutions to this paradox, but with limited success. Here, we propose an original approach to fulfill both requirements in bulk semiconductors. It exploits the highly directional character of some orbitals to engineer the band structure and produce a type of low-dimensional transport similar to that targeted in nanostructures, while retaining isotropic properties. Using first-principle calculations, the theoretical concept is demonstrated in Fe2YZ Heusler compounds, yielding power factors 4 to 5 times larger than in classical thermoelectrics at room temperature. Our findings are totally generic and rationalize the search of alternative compounds with similar behavior. Beyond thermoelectricity, these might be relevant also in the context of electronic, superconducting, or photovoltaic applications. PMID:25884131

  5. Uptake of Hydrocarbons in Aqueous Solution by Encapsulation in Acyclic Cucurbit[n]uril-Type Molecular Containers.

    PubMed

    Lu, Xiaoyong; Isaacs, Lyle

    2016-07-01

    The ability of two water-soluble acyclic cucurbit[n]uril (CB[n]) type containers, whose hydrophobic cavity is defined by a glycoluril tetramer backbone and terminal aromatic (benzene, naphthalene) sidewalls, to act as solubilizing agents for hydrocarbons in water is described. (1) H NMR spectroscopy studies and phase-solubility diagrams establish that the naphthalene-walled container performs as well as, or better than, CB[7] and CB[8] in promoting the uptake of poorly soluble hydrocarbons into aqueous solution through formation of host-hydrocarbon complexes. The naphthalene-walled acyclic CB[n] container is able to extract large hydrocarbons from crude oil into aqueous solution. PMID:27169688

  6. Dual Catalysis Using Boronic Acid and Chiral Amine: Acyclic Quaternary Carbons via Enantioselective Alkylation of Branched Aldehydes with Allylic Alcohols.

    PubMed

    Mo, Xiaobin; Hall, Dennis G

    2016-08-31

    A ferrocenium boronic acid salt activates allylic alcohols to generate transient carbocations that react with in situ-generated chiral enamines from branched aldehydes. The optimized conditions afford the desired acyclic products embedding a methyl-aryl quaternary carbon center with up to 90% yield and 97:3 enantiomeric ratio, with only water as the byproduct. This noble-metal-free method complements alternative methods that are incompatible with carbon-halogen bonds and other sensitive functional groups. PMID:27518200

  7. Investigating temporary acyclicity in a captive group of Asian elephants (Elephas maximus): Relationship between management, adrenal activity and social factors.

    PubMed

    Edwards, Katie L; Trotter, Jessica; Jones, Martin; Brown, Janine L; Steinmetz, Hanspeter W; Walker, Susan L

    2016-01-01

    Routine faecal steroid monitoring has been used to aid the management of five captive Asian elephant (Elephas maximus) females at Chester Zoo, UK, since 2007. Progestagen analysis initially revealed synchronised oestrous cycles among all females. However, a 14- to 20-week period of temporary acyclicity subsequently occurred in three females, following several management changes (increased training, foot-care and intermittent matriarch removal for health reasons) and the initiation of pregnancy in another female. The aim of this study was to retrospectively investigate whether these management changes were related to increased adrenal activity and disruption of ovarian activity, or whether social factors may have been involved in the temporary cessation of cyclicity. Faecal samples collected every other day were analysed to investigate whether glucocorticoid metabolites were related to reproductive status (pregnant, cycling, acyclic) or management (training, foot-care, matriarch presence). Routine training and foot-care were not associated with adrenal activity; however, intensive foot-care to treat an abscess in one female was associated with increased glucocorticoid concentration. Matriarch presence influenced adrenal activity in three females, being lower when the matriarch was separated from the group at night compared to being always present. However, in the females that exhibited temporary acyclicity, there was no consistent relationship between glucocorticoids and cyclicity state. Although the results of this study do not fully explain this occurrence, the highly synchronised nature of oestrous cycles within this group, and the concurrent acyclicity in three females, raises the question of whether social factors could have been involved in the temporary disruption of ovarian activity. PMID:26393308

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

    PubMed

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

    2015-09-18

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

  9. Macro- and micro-designed chitosan-alginate scaffold architecture by three-dimensional printing and directional freezing.

    PubMed

    Reed, Stephanie; Lau, Grace; Delattre, Benjamin; Lopez, David Don; Tomsia, Antoni P; Wu, Benjamin M

    2016-03-01

    While many tissue-engineered constructs aim to treat cartilage defects, most involve chondrocyte or stem cell seeding on scaffolds. The clinical application of cell-based techniques is limited due to the cost of maintaining cellular constructs on the shelf, potential immune response to allogeneic cell lines, and autologous chondrocyte sources requiring biopsy from already diseased or injured, scarce tissue. An acellular scaffold that can induce endogenous influx and homogeneous distribution of native stem cells from bone marrow holds great promise for cartilage regeneration. This study aims to develop such an acellular scaffold using designed, channeled architecture that simultaneously models the native zones of articular cartilage and subchondral bone. Highly porous, hydrophilic chitosan-alginate (Ch-Al) scaffolds were fabricated in three-dimensionally printed (3DP) molds designed to create millimeter scale macro-channels. Different polymer preform casting techniques were employed to produce scaffolds from both negative and positive 3DP molds. Macro-channeled scaffolds improved cell suspension distribution and uptake overly randomly porous scaffolds, with a wicking volumetric flow rate of 445.6 ± 30.3 mm(3) s(-1) for aqueous solutions and 177 ± 16 mm(3) s(-1) for blood. Additionally, directional freezing was applied to Ch-Al scaffolds, resulting in lamellar pores measuring 300 μm and 50 μm on the long and short axes, thus creating micrometer scale micro-channels. After directionally freezing Ch-Al solution cast in 3DP molds, the combined macro- and micro-channeled scaffold architecture enhanced cell suspension uptake beyond either macro- or micro-channels alone, reaching a volumetric flow rate of 1782.1 ± 48 mm(3) s(-1) for aqueous solutions and 440.9 ± 0.5 mm(3) s(-1) for blood. By combining 3DP and directional freezing, we can control the micro- and macro-architecture of Ch-Al to drastically improve cell influx into and distribution within the scaffold

  10. Toward three-dimensional microelectronic systems: directed self-assembly of silicon microcubes via DNA surface functionalization.

    PubMed

    Lämmerhardt, Nico; Merzsch, Stephan; Ledig, Johannes; Bora, Achyut; Waag, Andreas; Tornow, Marc; Mischnick, Petra

    2013-07-01

    The huge and intelligent processing power of three-dimensional (3D) biological "processors" like the human brain with clock speeds of only 0.1 kHz is an extremely fascinating property, which is based on a massively parallel interconnect strategy. Artificial silicon microprocessors are 7 orders of magnitude faster. Nevertheless, they do not show any indication of intelligent processing power, mostly due to their very limited interconnectivity. Massively parallel interconnectivity can only be realized in three dimensions. Three-dimensional artificial processors would therefore be at the root of fabricating artificially intelligent systems. A first step in this direction would be the self-assembly of silicon based building blocks into 3D structures. We report on the self-assembly of such building blocks by molecular recognition, and on the electrical characterization of the formed assemblies. First, planar silicon substrates were functionalized with self-assembling monolayers of 3-aminopropyltrimethoxysilane for coupling of oligonucleotides (single stranded DNA) with glutaric aldehyde. The oligonucleotide immobilization was confirmed and quantified by hybridization with fluorescence-labeled complementary oligonucleotides. After the individual processing steps, the samples were analyzed by contact angle measurements, ellipsometry, atomic force microscopy, and fluorescence microscopy. Patterned DNA-functionalized layers were fabricated by microcontact printing (μCP) and photolithography. Silicon microcubes of 3 μm edge length as model objects for first 3D self-assembly experiments were fabricated out of silicon-on-insulator (SOI) wafers by a combination of reactive ion etching (RIE) and selective wet etching. The microcubes were then surface-functionalized using the same protocol as on planar substrates, and their self-assembly was demonstrated both on patterned silicon surfaces (88% correctly placed cubes), and to cube aggregates by complementary DNA

  11. Transition state analogue inhibitors of human methylthioadenosine phosphorylase and bacterial methylthioadenosine/S-adenosylhomocysteine nucleosidase incorporating acyclic ribooxacarbenium ion mimics

    PubMed Central

    Clinch, Keith; Evans, Gary B.; Fröhlich, Richard F. G.; Gulab, Shivali A.; Gutierrez, Jemy A.; Mason, Jennifer M.; Schramm, Vern L.; Tyler, Peter C.; Woolhouse, Anthony D.

    2012-01-01

    Several acyclic hydroxy-methylthio-amines with 3 to 5 carbon atoms were prepared and coupled via a methylene link to 9-deazaadenine. The products were tested for inhibition against human MTAP and E. coli and N. meningitidis MTANs and gave Ki values as low as 0.23 nM. These results were compared to those obtained with 1st and 2nd generation inhibitors (1S)-1-(9-deazaadenin-9-yl)-1,4-dideoxy-1,4-imino-5-methylthio-d-ribitol (MT-Immucillin-A, 3) and (3R,4S)-1-[9-deazaadenin-9-yl)methyl]3-hydroxy-4-methylthiomethylpyrrolidine (MT-DADMe-Immucillin-A, 4). The best inhibitors were found to exhibit binding affinities of approximately 2- to 4-fold those of 3 but were significantly weaker than 4. Cleavage of the 2,3 carbon–carbon bond in MT-Immucillin-A (3) gave an acyclic product (79) with a 21,500 fold loss of activity against E. coli MTAN. In another case, N-methylation of a side chain secondary amine resulted in a 250-fold loss of activity against the same enzyme [(±)-65 vs (±)-68]. The inhibition results were also contrasted with those acyclic derivatives previously prepared as inhibitors for a related enzyme, purine nucleoside phosphorylase (PNP), where some inhibitors in the latter case were found to be more potent than their cyclic counterparts. PMID:22854195

  12. Evaluation of automated direct sample introduction with comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry for the screening analysis of dioxins of fish oil

    Technology Transfer Automated Retrieval System (TEKTRAN)

    An automated direct sample introduction technique coupled to comprehensive two-dimensional gas chromatography-time of flight mass spectrometry (DSI-GC×GC/TOF-MS) was applied for the development of a relatively fast and easy analytical screening method for 17 polychlorinated dibenzo-p-dioxins/dibenzo...

  13. Four-dimensional intensity-modulated radiation therapy planning for dynamic tracking using a direct aperture deformation (DAD) method

    SciTech Connect

    Gui Minzhi; Feng Yuanming; Yi Byongyong; Dhople, Anil Arvind; Yu, Cedric

    2010-05-15

    Purpose: Planning for the delivery of intensity-modulated radiation therapy (IMRT) to a moving target, referred to as four-dimensional (4D) IMRT planning, is a crucial step for achieving the treatment objectives for sites that move during treatment delivery. The authors proposed a simplistic method that accounts for both rigid and nonrigid respiration-induced target motion based on 4D computed tomography (4DCT) data sets. Methods: A set of MLC apertures and weights was first optimized on a reference phase of a 4DCT data set. At each beam angle, the apertures were morphed from the reference phase to each of the remaining phases according to the relative shape changes in the beam's eye view of the target. Three different planning schemes were evaluated for two lung cases and one pancreas patient: (1) Individually optimizing each breathing phase; (2) optimizing the reference phase and shifting the optimized apertures to other breathing phases based on a rigid-body image registration; and (3) optimizing the reference phase and deforming the optimized apertures to the other phases based on the deformation and translation of target contours. Planning results using scheme 1 serves as the ''gold standard'' for plan quality assessment; scheme 2 is the method previously proposed in the literature; and scheme 3 is the method the authors proposed in this article. The optimization results were compared between the three schemes for all three cases. Results: The proposed scheme 3 is comparable to scheme 1 in plan quality, and provides improved target coverage and conformity with similar normal tissue dose compared with scheme 2. Conclusions: Direct aperture deformation method for 4D IMRT planning improves upon methods that only consider rigid-body motion and achieves a plan quality close to that optimized for each of the phases.

  14. Computer simulations of cyclic and acyclic cholinergic agonists: conformational search and molecular dynamics simulations.

    PubMed Central

    McGroddy, K A; Brady, J W; Oswald, R E

    1994-01-01

    Molecular dynamics simulations have been performed on aqueous solutions of two chemically similar nicotinic cholinergic agonists in order to compare their structural and dynamical differences. The cyclic 1,1-dimethyl-4-acetylpiperazinium iodide (HPIP) molecule was previously shown to be a strong agonist for nicotinic acetylcholine receptors (McGroddy et al., 1993), while the acyclic N,N,N,N'-tetramethyl-N'-acetylethylenediamine iodide (HTED) derivative is much less potent. These differences were expected to arise from differences in the solution structures and internal dynamics of the two molecules. HPIP was originally thought to be relatively rigid; however, molecular dynamics simulations suggest that the acetyl portion of the molecule undergoes significant ring dynamics on a psec timescale. The less constrained HTED molecule is relatively rigid, with only one transition observed about any of the major dihedrals in four 100 psec simulations, each started from a different conformation. The average structures obtained from the simulations are very similar to the starting minimized structure in each case, except for the HTED simulation where a single rotation about the N-C-C-N(+) backbone occurred. In each case, HTED had three to five more water molecules in its primary solvation shell than HPIP, indicating that differences in the energetics of desolvation before binding may partially explain the increased potency of HPIP as compared to HTED. Images FIGURE 1 FIGURE 2 PMID:8161685

  15. Amino acids of the Murchison meteorite. I - Six carbon acyclic primary alpha-amino alkanoic acids

    NASA Technical Reports Server (NTRS)

    Cronin, J. R.; Gandy, W. E.; Pizzarello, S.

    1981-01-01

    Six of the seven chain isomers of six-carbon acyclic primary alpha-amino alkanoic acids (leucine isomers) have been either identified or confirmed in hot-water extracts of the Murchison meteorite using combined gas chromatography-mass spectrometry (GC-MS) and ion exchange chromatography. 2-Amino-2-ethylbutyric acid, 2-amino-2,3-dimethylbutyric acid, pseudoleucine, and 2-methylnorvaline were positively identified by GC-MS. These amino acids have not been previously reported to occur in natural materials and may be uniquely meteoritic in origin. The presence of leucine and isoleucine (including the diastereoisomer, alloisoleucine) was confirmed. Peaks corresponding to norleucine were seen by ion-exchange and gas chromatography but characteristic mass spectra were not obtained. The alpha-branched chain isomers in this series are quantitatively the most significant. These results are compared with literature data on amino acid synthesis by electrical discharge and Fischer-Tropsch-type catalysis. Neither model system produces an amino acid suite that is completely comparable to that found in the Murchison meteorite.

  16. Amino acids of the Murchison meteorite. III - Seven carbon acyclic primary alpha-amino alkanoic acids

    NASA Technical Reports Server (NTRS)

    Cronin, John R.; Pizzarello, Sandra

    1986-01-01

    All of the eighteen possible seven-carbon acyclic primary alpha-amino alkanoic acids have been positively identified in a hot-water extract of the Murchison meteorite by the combined use of gas chromatography-mass spectrometry, ion exchange chromatography and reversed-phase chromatography. None of these amino acids has previously been found in meteorites or in any other natural material. They range in concentration from less than or equal to 0.5 to 5.3 nmol/g. Configuration assignments were made for 2-amino-3,4-dimethylpentanoic acid and allo-2-amino-3,4-dimethylpentanoic acid and the diasteromer ratio was determined. Fifty-five amino acids have now been positively identified in the Murchison meteorite, 36 of which are unknown in terrestrial materials. This unique suite of amino acids is characterized by the occurrence of all structural isomers within the two major classes of amino acids represented, by the predominance of branched chain isomers, and by an exponential decline in amount with increasing carbon chain length within homologous series. These characteristics of the Murchison amino acids are suggestive of synthesis before incorporation into a parent body.

  17. Source diagnostic and weathering indicators of tar balls utilizing acyclic, polycyclic and S-heterocyclic components.

    PubMed

    Hegazi, A H; Andersson, J T; Abu-Elgheit, M A; El-Gayar, M Sh

    2004-05-01

    This study represents a forensic chemical analysis to define the liability for the coastal bitumens polluting the beaches of the Mediterranean city of Alexandria. Six tar balls collected from several locations along the coast of the city were analyzed for their acyclic and polycyclic hydrocarbons as well as sulfur heterocycles using GC/FID, GC/AED and gas chromatography/mass spectrometry techniques. The analysis of one Egyptian crude oil is also included as a possible source oil. The tar ball samples were at early stages of weathering. Based on the GC traces and biomarker signatures, the tar balls could be genetically different. One sample collected from the Eastern Harbor region appears to be a Bunker C type fuel produced from Egyptian crudes. The refining process has removed the low molecular weight components. On the other hand, the wide n-alkane distribution together with the absence of an unresolved complex mixture suggests that crude oils probably from tank washings, ballast discharges or accident spills from tankers could have contributed significantly to the other tar ball samples. The distribution of source specific hopane and sterane markers revealed that the tar samples probably originate from different oil fields. PMID:15051374

  18. In vitro susceptibility of fungi to acyclic inhibitors of 2,3-oxidosqualene cyclases.

    PubMed

    Airaudi, D; Ceruti, M; Bianco, C; Filipello Marchisio, V

    1996-01-01

    In the present study we determine the antifungal properties of two acyclic inhibitors of 2,3-oxidosqualene cyclases: 22,23-epoxy-2-aza-2,3-dihydrosqualene (EAS) and azasqualene alcohol (ASA). Fungistatic and fungicidal activity towards dermatophytes and other fungi involved in cutaneous and systemic infections was tested (48 isolates from 10 species). The tests were carried out by inoculating 10 microliters of mycelial homogenate in 1 ml of Sabouraud glucose liquid medium containing serial dilutions of 100 to 0.25 micrograms ml-1 of the substance. For each isolate, the minimum inhibitory concentration (MIC) and the minimum fungicidal concentration (MFC) of both compounds were determined. EAS was more active (MIC range 1.5-25 micrograms ml-1) than ASA (MIC range 3-50 micrograms ml-1). At the highest concentration tested, EAS also showed fungicidal action towards some isolates of Trichophyton mentagrophytes, T. terrestre, Epidermophyton floccosum, Microsporum canis and Scopulariopsis brumptii. The most sensitive species was T. mentagrophytes, the most resistant T. rubrum. PMID:8786759

  19. Executive Summary of Ares V: Lunar Capabilities Concept Review Through Phase A-Cycle 3

    NASA Technical Reports Server (NTRS)

    Holladay, J. B.; Baggett, K. E.; Feldman, S. M.

    2011-01-01

    This Technical Memorandum (TM) was generated as an overall Ares V summary from the Lunar Capabilities Concept Review (LCCR) through Phase A-Cycle 3 (PA-C3) with the intent that it may be coupled with separately published appendices for a more detailed, integrated narrative. The Ares V has evolved from the initial point of departure (POD) 51.00.48 LCCR configuration to the current candidate POD, PA-C3D, and the family of vehicles concept that contains vehicles PA-C3A through H. The logical progression from concept to POD vehicles is summarized in this TM and captures the trade space and performance of each. The family-of-vehicles concept was assessed during PA-C3 and offered flexibility in the path forward with the ability to add options deemed appropriate. A description of each trade space is given in addition to a summary of each Ares V element. The Ares V contributions to a Mars campaign are also highlighted with the goal of introducing Ares V capabilities within the trade space. The assessment of the Ares V vehicle as it pertains to Mars missions remained locked to the architecture presented in Mars Design Reference Authorization 5.0 using the PA-C3D vehicle configuration to assess Mars transfer vehicle options, in-space EDS capabilities, docking adaptor and propellant transfer assessments, and lunar and Mars synergistic potential.

  20. Phosphonylated Acyclic Guanosine Analogues with the 1,2,3-Triazole Linker.

    PubMed

    Głowacka, Iwona E; Andrei, Graciela; Schols, Dominique; Snoeck, Robert; Piotrowska, Dorota G

    2015-01-01

    A novel series of {4-[(2-amino-6-chloro-9H-purin-9-yl)methyl]-1H-1,2,3-triazol-1-yl}alkylphosphonates and {4-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methyl]-1H-1,2,3-triazol-1-yl}alkylphosphonates as acyclic analogues of guanosine were synthesized and assessed for antiviral activity against a broad range of DNA and RNA viruses and for their cytostatic activity toward three cancerous cell lines (HeLa, L1210 and CEM). They were devoid of antiviral activity; however, several phosphonates were found slightly cytostatic against HeLa cells at an IC50 in the 80-210 µM range. Compounds (1R,2S)-17k and (1S,2S)-17k showed the highest inhibitory effects (IC50=15-30 µM) against the proliferation of murine leukemia (L1210) and human T-lymphocyte (CEM) cell lines. PMID:26501246

  1. Flotation properties of some oxygen-containing compounds of the acyclic series

    SciTech Connect

    Shreider, E.M.; Para, S.F.; Galanov, M.E.; Trachik, T.L.; Lagutina, L.V.

    1981-01-01

    In the monatomic alcohols series, maximum flotation activity is reached at 6 to 8 carbon atoms in the radical. It was decided to investigate the reagent properties of some other substances containing hydroxyl radicals which have not previously been considered. Oxygen-containing compounds in the acyclic series were examined, including alcohols: I - ethanol, ethylene-glycol, glycerol, pentaerythrytol, D-mannitol; II - dulcitol, D-sorbitol, D-mannitol, xylitol; glycols - monoethyleneglycol, diethyleneglycol, triethyleneglycol, polyethyleneglycol; and ethanolamines - ethanolamine, triethanolamine. The flotation properties of the reagents were determined in a Mekhanobr laboratory flotation machine with a chamber volume of 1.5 liter and an impeller speed of 1800 rpm. The materials tested were the <1 mm size fractions from run-of-plant charge and slurry from the radial thickeners. The samples were first dried and averaged. The pulp density was 200 g/l. The reagent conditions were kept constant throughout (50% of the total added at the start of a test, 25% after 2 min and 25% after 4 min from the start). The reagent additions were 1.0 to 1.4 kg/ton. All of these compounds had a very weak flotation activity.

  2. Polarizable Empirical Force Field for Acyclic Poly-Alcohols Based on the Classical Drude Oscillator

    PubMed Central

    He, Xibing; Lopes, Pedro E. M.; MacKerell, Alexander D.

    2014-01-01

    A polarizable empirical force field for acyclic polyalcohols based on the classical Drude oscillator is presented. The model is optimized with an emphasis on the transferability of the developed parameters among molecules of different sizes in this series and on the condensed-phase properties validated against experimental data. The importance of the explicit treatment of electronic polarizability in empirical force fields is demonstrated in the cases of this series of molecules with vicinal hydroxyl groups that can form cooperative intra- and intermolecular hydrogen bonds. Compared to the CHARMM additive force field, improved treatment of the electrostatic interactions avoids overestimation of the gas-phase dipole moments, results in significant improvement in the treatment of the conformational energies, and leads to the correct balance of intra- and intermolecular hydrogen bonding of glycerol as evidenced by calculated heat of vaporization being in excellent agreement with experiment. Computed condensed phase data, including crystal lattice parameters and volumes and densities of aqueous solutions are in better agreement with experimental data as compared to the corresponding additive model. Such improvements are anticipated to significantly improve the treatment of polymers in general, including biological macromolecules. PMID:23703219

  3. beta-Lactamase-catalyzed hydrolysis of acyclic depsipeptides and acyl transfer to specific amino acid acceptors.

    PubMed Central

    Pratt, R F; Govardhan, C P

    1984-01-01

    beta-Lactamases from all three classes, A, B, and C, catalyze the hydrolysis of specific acyclic depsipeptide (PhCH2CONHCR1R2CO2CHR3CO2H) analogs of acyl-D-alanyl-D-alanine peptides. The depsipeptides investigated, which are chemically as reactive toward nucleophiles as penicillins, are in general poor substrates, although differences between the classes of beta-lactamases have been observed: the order of effectiveness seems to be C greater than B greater than A. Certain class A and C beta-lactamases also catalyze phenylacetylglycyl transfer between phenylacetylglycyl depsipeptides and specific amino acid acceptors, a type of reaction hitherto identified more closely with D-alanyl-D-alanine transpeptidases than with beta-lactamases. Preliminary indications of an acyl-enzyme intermediate in these reactions have been obtained. These results support the suggestion [Tipper, D.J. and Strominger, J.L. (1965) Proc. Natl. Acad. Sci. USA 54, 1133-1141] that beta-lactamases are evolutionary descendants of bacterial cell wall D-alanyl-D-alanine transpeptidases. PMID:6424114

  4. Ester prodrugs of acyclic nucleoside thiophosphonates compared to phosphonates: synthesis, antiviral activity and decomposition study.

    PubMed

    Roux, Loïc; Priet, Stéphane; Payrot, Nadine; Weck, Clément; Fournier, Maëlenn; Zoulim, Fabien; Balzarini, Jan; Canard, Bruno; Alvarez, Karine

    2013-05-01

    9-[2-(Thiophosphonomethoxy)ethyl]adenine [S-PMEA, 8] and (R)-9-[2-(Thiophosphonomethoxy)propyl]adenine [S-PMPA, 9] are acyclic nucleoside thiophosphonates we described recently that display the same antiviral spectrum (DNA viruses) as approved and potent phosphonates PMEA and (R)-PMPA. Here, we describe the synthesis, antiviral activities in infected cell cultures and decomposition study of bis(pivaloyloxymethoxy)-S-PMEA [Bis-POM-S-PMEA, 13] and bis(isopropyloxymethylcarbonyl)-S-PMPA [Bis-POC-S-PMPA, 14] as orally bioavailable prodrugs of the S-PMEA 8 and S-PMPA 9, in comparison to the equivalent "non-thio" derivatives [Bis-POM-PMEA, 11] and [Bis-POC-PMPA, 12]. Compounds 11, 12, 13 and 14 were evaluated for their in vitro antiviral activity against HIV-1-, HIV-2-, HBV- and a broad panel of DNA viruses, and found to exhibit moderate to potent antiviral activity. In order to determine the decomposition pathway of the prodrugs 11, 12, 13 and 14 into parent compounds PMEA, PMPA, 8 and 9, kinetic data and decomposition pathways in several media are presented. As expected, bis-POM-S-PMEA 13 and bis-POC-S-PMPA 14 behaved as prodrugs of S-PMEA 8 and S-PMPA 9. However, thiophosphonates 8 and 9 were released very smoothly in cell extracts, in contrast to the release of PMEA and PMPA from "non-thio" prodrugs 11 and 12. PMID:23603046

  5. Static fluctuations of a thick one-dimensional interface in the 1+1 directed polymer formulation.

    PubMed

    Agoritsas, Elisabeth; Lecomte, Vivien; Giamarchi, Thierry

    2013-04-01

    Experimental realizations of a one-dimensional (1D) interface always exhibit a finite microscopic width ξ>0; its influence is erased by thermal fluctuations at sufficiently high temperatures, but turns out to be a crucial ingredient for the description of the interface fluctuations below a characteristic temperature T(c)(ξ). Exploiting the exact mapping between the static 1D interface and a 1+1 directed polymer (DP) growing in a continuous space, we study analytically both the free-energy and geometrical fluctuations of a DP, at finite temperature T, with a short-range elasticity and submitted to a quenched random-bond Gaussian disorder of finite correlation length ξ. We derive the exact time-evolution equations of the disorder free energy F[over ¯](t,y), which encodes the microscopic disorder integrated by the DP up to a growing time t and an endpoint position y, its derivative η(t,y), and their respective two-point correlators C[over ¯](t,y) and R[over ¯](t,y). We compute the exact solution of its linearized evolution R[over ¯](lin)(t,y) and we combine its qualitative behavior and the asymptotic properties known for an uncorrelated disorder (ξ=0) to justify the construction of a "toy model" leading to a simple description of the DP properties. This model is characterized by Gaussian Brownian-type free-energy fluctuations, correlated at small |y|

  6. Direct influence of culture dimensionality on human mesenchymal stem cell differentiation at various matrix stiffnesses using a fibrous self-assembling peptide hydrogel.

    PubMed

    Hogrebe, Nathaniel J; Gooch, Keith J

    2016-09-01

    Much is unknown about the effects of culture dimensionality on cell behavior due to the lack of biomimetic substrates that are suitable for directly comparing cells grown on two-dimensional (2D) and encapsulated within three-dimensional (3D) matrices of the same stiffness and biochemistry. To overcome this limitation, we used a self-assembling peptide hydrogel system that has tunable stiffness and cell-binding site density as well as a fibrous microarchitecture resembling the structure of collagen. We investigated the effect of culture dimensionality on human mesenchymal stem cell differentiation at different values of matrix stiffness (G' = 0.25, 1.25, 5, and 10 kPa) and a constant RGD (Arg-Gly-Asp) binding site concentration. In the presence of the same soluble induction factors, culture on top of stiff gels facilitated the most efficient osteogenesis, while encapsulation within the same stiff gels resulted in a switch to predominantly terminal chondrogenesis. Adipogenesis dominated at soft conditions, and 3D culture induced better adipogenic differentiation than 2D culture at a given stiffness. Interestingly, initial matrix-induced cell morphology was predictive of these end phenotypes. Furthermore, optimal culture conditions corresponded to each cell type's natural niche within the body, highlighting the importance of incorporating native matrix dimensionality and stiffness into tissue engineering strategies. © 2016 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 104A: 2356-2368, 2016. PMID:27163888

  7. Cell Tracking Accuracy Measurement Based on Comparison of Acyclic Oriented Graphs.

    PubMed

    Matula, Pavel; Maška, Martin; Sorokin, Dmitry V; Matula, Petr; Ortiz-de-Solórzano, Carlos; Kozubek, Michal

    2015-01-01

    Tracking motile cells in time-lapse series is challenging and is required in many biomedical applications. Cell tracks can be mathematically represented as acyclic oriented graphs. Their vertices describe the spatio-temporal locations of individual cells, whereas the edges represent temporal relationships between them. Such a representation maintains the knowledge of all important cellular events within a captured field of view, such as migration, division, death, and transit through the field of view. The increasing number of cell tracking algorithms calls for comparison of their performance. However, the lack of a standardized cell tracking accuracy measure makes the comparison impracticable. This paper defines and evaluates an accuracy measure for objective and systematic benchmarking of cell tracking algorithms. The measure assumes the existence of a ground-truth reference, and assesses how difficult it is to transform a computed graph into the reference one. The difficulty is measured as a weighted sum of the lowest number of graph operations, such as split, delete, and add a vertex and delete, add, and alter the semantics of an edge, needed to make the graphs identical. The measure behavior is extensively analyzed based on the tracking results provided by the participants of the first Cell Tracking Challenge hosted by the 2013 IEEE International Symposium on Biomedical Imaging. We demonstrate the robustness and stability of the measure against small changes in the choice of weights for diverse cell tracking algorithms and fluorescence microscopy datasets. As the measure penalizes all possible errors in the tracking results and is easy to compute, it may especially help developers and analysts to tune their algorithms according to their needs. PMID:26683608

  8. Cell Tracking Accuracy Measurement Based on Comparison of Acyclic Oriented Graphs

    PubMed Central

    Sorokin, Dmitry V.; Matula, Petr; Ortiz-de-Solórzano, Carlos; Kozubek, Michal

    2015-01-01

    Tracking motile cells in time-lapse series is challenging and is required in many biomedical applications. Cell tracks can be mathematically represented as acyclic oriented graphs. Their vertices describe the spatio-temporal locations of individual cells, whereas the edges represent temporal relationships between them. Such a representation maintains the knowledge of all important cellular events within a captured field of view, such as migration, division, death, and transit through the field of view. The increasing number of cell tracking algorithms calls for comparison of their performance. However, the lack of a standardized cell tracking accuracy measure makes the comparison impracticable. This paper defines and evaluates an accuracy measure for objective and systematic benchmarking of cell tracking algorithms. The measure assumes the existence of a ground-truth reference, and assesses how difficult it is to transform a computed graph into the reference one. The difficulty is measured as a weighted sum of the lowest number of graph operations, such as split, delete, and add a vertex and delete, add, and alter the semantics of an edge, needed to make the graphs identical. The measure behavior is extensively analyzed based on the tracking results provided by the participants of the first Cell Tracking Challenge hosted by the 2013 IEEE International Symposium on Biomedical Imaging. We demonstrate the robustness and stability of the measure against small changes in the choice of weights for diverse cell tracking algorithms and fluorescence microscopy datasets. As the measure penalizes all possible errors in the tracking results and is easy to compute, it may especially help developers and analysts to tune their algorithms according to their needs. PMID:26683608

  9. Full-Scale Direct Numerical Simulation of Two- and Three-Dimensional Instabilities and Rivulet Formulation in Heated Falling Films

    NASA Technical Reports Server (NTRS)

    Krishnamoorthy, S.; Ramaswamy, B.; Joo, S. W.

    1995-01-01

    A thin film draining on an inclined plate has been studied numerically using finite element method. Three-dimensional governing equations of continuity, momentum and energy with a moving boundary are integrated in an arbitrary Lagrangian Eulerian frame of reference. Kinematic equation is solved to precisely update interface location. Rivulet formation based on instability mechanism has been simulated using full-scale computation. Comparisons with long-wave theory are made to validate the numerical scheme. Detailed analysis of two- and three-dimensional nonlinear wave formation and spontaneous rupture forming rivulets under the influence of combined thermocapillary and surface-wave instabilities is performed.

  10. Method for estimating the propagation direction of a coherent plasma structure using a one-dimensional diagnostic array

    SciTech Connect

    Kobayashi, T.; Birkenmeier, G.; Wolfrum, E.; Stroth, U.; Laggner, F. M.; Willensdorfer, M.; Inagaki, S.; Itoh, S.-I.; Itoh, K.

    2014-08-15

    This article proposes a new method to evaluate basic characteristics of the dynamics of a coherent plasma structure (blob). With this method, one can evaluate the propagation angle of a blob in a two-dimensional plasma cross section as well as the blob velocity, size, and amplitude from one-dimensional data. The method is applied to blob measurements from the Lithium beam emission spectroscopy system in ASDEX-Upgrade. Statistical features of the observed blob velocities, angles of propagation, blob sizes, and amplitudes are discussed. The validity of the method is examined by comparing two values of the propagation angle that are evaluated in an independent manner.

  11. Direct time integration of Maxwell's equations in two-dimensional dielectric waveguides for propagation and scattering of femtosecond electromagnetic solitons

    NASA Technical Reports Server (NTRS)

    Joseph, Rose M.; Goorjian, Peter M.; Taflove, Allen

    1993-01-01

    We present what are to our knowledge first-time calculations from vector nonlinear Maxwell's equations of femtosecond soliton propagation and scattering, including carrier waves, in two-dimensional dielectric waveguides. The time integration efficiently implements linear and nonlinear convolutions for the electric polarization, and the nonlinear convolution accounts for two quantum effects, the Kerr and Raman interactions. By retaining the optical carrier, the new method solves for fundamental quantities - optical electric and magnetic fields in space and time - rather than a nonphysical envelope function. It has the potential to provide an unprecedented two- and three-dimensional modeling capability for millimeter-scale integrated-optical circuits with submicrometer engineered inhomogeneities.

  12. Direct β-C(sp(3))-H Functionalization of Aliphatic Amines to α,β-Unsaturated Imines, Aldehydes, and Chromenes.

    PubMed

    Mandal, Sumana; Mahato, Sujit; Jana, Chandan K

    2015-08-01

    A metal-free method for direct β-C(sp(3))-H functionalization of aliphatic amine was developed. The method is based on a reaction that yields enamine directly from the corresponding aliphatic amine, which otherwise requires the aid of metallic reagent and/or external oxidant. The reaction is operationally simple, general, and highly efficient in functionalizing both cyclic and acyclic amines. Structurally diverse unsaturated imines were obtained from N-heterocycles, while acyclic amines provided 2-alkyl cinnamaldehyde and benzopyran derivatives with excellent E/Z-selectivity. PMID:26204435

  13. Amino acids of the Murchison meteorite. II - Five carbon acyclic primary beta-, gamma-, and delta-amino alkanoic acids

    NASA Technical Reports Server (NTRS)

    Cronin, J. R.; Pizzarello, S.; Yuen, G. U.

    1985-01-01

    The five-carbon acyclic primary beta, gamma, and delta amino alkanoic acids of the Murchison meteorite are studied using gas chromatography-mass spectrometry and ion exchange chromatography. The chromatograms reveal that alpha is the most abundant monoamino alkanoic acid followed by gamma and beta, and an exponential increase in the amount of amino acid is observed as the carbon number increases in the homologous series. The influence of frictional heating, spontaneous thermal decomposition, and radiation of the synthesis of amino acids is examined. The data obtained support an amino acid synthesis process involving random combination of single-carbon precursors.

  14. A Two-Dimensional Extremely Short Optical Pulse in a System of Carbon Nanotubes in a Direct Current Electric Field

    NASA Astrophysics Data System (ADS)

    Belonenko, M. B.; Galkina, E. N.; Filimonova, Z. A.

    2016-03-01

    The effect of an external dc electric field on the two-dimensional extremely short optical pulse propagating in a zigzag carbon nanotube array was investigated. The electromagnetic field evolution in the investigated nanotube system is described by the Maxwell equations. Using numerical simulation, the interaction between the pulse electromagnetic field and the external electric field applied to the carbon nanotube array is analyzed.

  15. A fast iterative convolution weighting approach for gridding-based direct Fourier three-dimensional reconstruction with correction for the contrast transfer function.

    PubMed

    Abrishami, V; Bilbao-Castro, J R; Vargas, J; Marabini, R; Carazo, J M; Sorzano, C O S

    2015-10-01

    We describe a fast and accurate method for the reconstruction of macromolecular complexes from a set of projections. Direct Fourier inversion (in which the Fourier Slice Theorem plays a central role) is a solution for dealing with this inverse problem. Unfortunately, the set of projections provides a non-equidistantly sampled version of the macromolecule Fourier transform in the single particle field (and, therefore, a direct Fourier inversion) may not be an optimal solution. In this paper, we introduce a gridding-based direct Fourier method for the three-dimensional reconstruction approach that uses a weighting technique to compute a uniform sampled Fourier transform. Moreover, the contrast transfer function of the microscope, which is a limiting factor in pursuing a high resolution reconstruction, is corrected by the algorithm. Parallelization of this algorithm, both on threads and on multiple CPU's, makes the process of three-dimensional reconstruction even faster. The experimental results show that our proposed gridding-based direct Fourier reconstruction is slightly more accurate than similar existing methods and presents a lower computational complexity both in terms of time and memory, thereby allowing its use on larger volumes. The algorithm is fully implemented in the open-source Xmipp package and is downloadable from http://xmipp.cnb.csic.es. PMID:26094203

  16. Computation of Domain-Averaged Shortwave Irradiance by a One-Dimensional Algorithm Incorporating Correlations between Optical Thickness and Direct Incident Radiation

    NASA Technical Reports Server (NTRS)

    Kato, S.

    2003-01-01

    A one-dimensional radiative transfer algorithm that accounts for correlations between the optical thickness and the incident direct solar radiation is developed to compute the domain-averaged shortwave irradiance profile. It divides the direct irradiance into four components and treats the direct irradiance in two separate, clear and cloudy columns to account for the fact that clouds attenuate the direct irradiance more than clear-sky. The horizontal inhomogeneity of clouds in the cloudy column is treated by the gamma weighted two-stream approximation, which assumes that the optical thickness of clouds follows a gamma distribution. The algorithm inputs the cloud fraction, cumulative cloud fraction as a function of height, and a parameter expressing the shape of the probability density function of the cloud optical thickness distribution in addition to inputs required for a two-stream radiative transfer model. These cloud property inputs can be obtained using ground- and satellite-based instruments. Therefore, the algorithm can treat realistic cloud overlap features and horizontal inhomogeneity of clouds in a framework of one- dimensional radiative transfer. Heating rates computed by the algorithm using cloud fields generated by cloud resolving models agree with those computed with a Monte Carlo model. If optical properties in computational layers that divide a vertically extensive cloud are correlated, the irradiance profile computed by the algorithm further improves.

  17. Direct visualization of surface phase of oxygen molecules physisorbed on Ag(111) surface: A two-dimensional quantum spin system

    NASA Astrophysics Data System (ADS)

    Yamamoto, Shunji; Yoshida, Yasuo; Imada, Hiroshi; Kim, Yousoo; Hasegawa, Yukio

    2016-02-01

    We report on the real-space observation of the two-dimensional distorted triangular lattice of physisorbed oxygen (O2) molecules on an Ag(111) surface by low-temperature scanning tunneling microscopy. The physisorbed state of the O2 monolayers was confirmed by measuring their thermal stability, which showed good agreement with previous thermal desorption spectroscopy. The distortion of the observed lattice was reproduced quantitatively by considering the intermolecular exchange interaction in Monte Carlo calculations, indicating a critical role of antiferromagnetic ordering of O2 spins. In tunneling spectra, the Kondo resonance was not observed on the O2 layer at 4.7 K unlike the case of physisorbed O2 on Ag(110). These results indicate that an intrinsic S =1 spin of the O2 molecules was preserved to form a two-dimensional antiferromagnetic quantum spin system on the surface.

  18. Directional reversals enable Myxococcus xanthus cells to produce collective one-dimensional streams during fruiting-body formation.

    PubMed

    Thutupalli, Shashi; Sun, Mingzhai; Bunyak, Filiz; Palaniappan, Kannappan; Shaevitz, Joshua W

    2015-08-01

    The formation of a collectively moving group benefits individuals within a population in a variety of ways. The surface-dwelling bacterium Myxococcus xanthus forms dynamic collective groups both to feed on prey and to aggregate during times of starvation. The latter behaviour, termed fruiting-body formation, involves a complex, coordinated series of density changes that ultimately lead to three-dimensional aggregates comprising hundreds of thousands of cells and spores. How a loose, two-dimensional sheet of motile cells produces a fixed aggregate has remained a mystery as current models of aggregation are either inconsistent with experimental data or ultimately predict unstable structures that do not remain fixed in space. Here, we use high-resolution microscopy and computer vision software to spatio-temporally track the motion of thousands of individuals during the initial stages of fruiting-body formation. We find that cells undergo a phase transition from exploratory flocking, in which unstable cell groups move rapidly and coherently over long distances, to a reversal-mediated localization into one-dimensional growing streams that are inherently stable in space. These observations identify a new phase of active collective behaviour and answer a long-standing open question in Myxococcus development by describing how motile cell groups can remain statistically fixed in a spatial location. PMID:26246416

  19. Directional reversals enable Myxococcus xanthus cells to produce collective one-dimensional streams during fruiting-body formation

    PubMed Central

    Thutupalli, Shashi; Sun, Mingzhai; Bunyak, Filiz; Palaniappan, Kannappan; Shaevitz, Joshua W.

    2015-01-01

    The formation of a collectively moving group benefits individuals within a population in a variety of ways. The surface-dwelling bacterium Myxococcus xanthus forms dynamic collective groups both to feed on prey and to aggregate during times of starvation. The latter behaviour, termed fruiting-body formation, involves a complex, coordinated series of density changes that ultimately lead to three-dimensional aggregates comprising hundreds of thousands of cells and spores. How a loose, two-dimensional sheet of motile cells produces a fixed aggregate has remained a mystery as current models of aggregation are either inconsistent with experimental data or ultimately predict unstable structures that do not remain fixed in space. Here, we use high-resolution microscopy and computer vision software to spatio-temporally track the motion of thousands of individuals during the initial stages of fruiting-body formation. We find that cells undergo a phase transition from exploratory flocking, in which unstable cell groups move rapidly and coherently over long distances, to a reversal-mediated localization into one-dimensional growing streams that are inherently stable in space. These observations identify a new phase of active collective behaviour and answer a long-standing open question in Myxococcus development by describing how motile cell groups can remain statistically fixed in a spatial location. PMID:26246416

  20. Localisation and direction of mitral regurgitant flow in mitral orifice studied with combined use of ultrasonic pulsed Doppler technique and two dimensional echocardiography.

    PubMed Central

    Miyatake, K; Nimura, Y; Sakakibara, H; Kinoshita, N; Okamoto, M; Nagata, S; Kawazoe, K; Fujita, T

    1982-01-01

    Regurgitant flow was analysed in 40 cases of mitral regurgitation, using combined ultrasonic pulsed Doppler technique and two dimensional echocardiography. Abnormal Doppler signals indicative of mitral regurgitant flow were detected in reference to the two dimensional image of the long axis view of the heart and the short axis view at the level of the mitral orifice. The overall direction of regurgitant flow into the left atrium was clearly seen in 28 of 40 cases, and the localisation of regurgitant flow in the mitral orifice in 38 cases. In cases with mitral valve prolapse of the anterior leaflet or posterior leaflet the regurgitant flow was directed posteriorly or anteriorly, respectively. The prolapse occurred at the anterolateral commissure or posteromedial commissure and resulted in regurgitant flow located near the anterolateral commissure or posteromedial commissure of the mitral orifice, respectively. In cases with rheumatic mitral regurgitation the regurgitant flow is usually towards the central portion of the left atrium and is sited in the mid-part of the orifice. The Doppler findings were consistent with left ventriculography and surgical findings. The ultrasonic pulsed Doppler technique combined with two dimensional echocardiography is useful for non-invasive analysis and preoperative assessment of mitral regurgitation. Images PMID:7138708

  1. The Effect of Acyclic Retinoid on the Metabolomic Profiles of Hepatocytes and Hepatocellular Carcinoma Cells

    PubMed Central

    Qin, Xian-Yang; Wei, Feifei; Tanokura, Masaru; Ishibashi, Naoto; Shimizu, Masahito; Moriwaki, Hisataka; Kojima, Soichi

    2013-01-01

    Background/Purpose Acyclic retinoid (ACR) is a promising chemopreventive agent for hepatocellular carcinoma (HCC) that selectively inhibits the growth of HCC cells (JHH7) but not normal hepatic cells (Hc). To better understand the molecular basis of the selective anti-cancer effect of ACR, we performed nuclear magnetic resonance (NMR)-based and capillary electrophoresis time-of-flight mass spectrometry (CE-TOFMS)-based metabolome analyses in JHH7 and Hc cells after treatment with ACR. Methodology/Principal Findings NMR-based metabolomics revealed a distinct metabolomic profile of JHH7 cells at 18 h after ACR treatment but not at 4 h after ACR treatment. CE-TOFMS analysis identified 88 principal metabolites in JHH7 and Hc cells after 24 h of treatment with ethanol (EtOH) or ACR. The abundance of 71 of these metabolites was significantly different between EtOH-treated control JHH7 and Hc cells, and 49 of these metabolites were significantly down-regulated in the ACR-treated JHH7 cells compared to the EtOH-treated JHH7 cells. Of particular interest, the increase in adenosine-5′-triphosphate (ATP), the main cellular energy source, that was observed in the EtOH-treated control JHH7 cells was almost completely suppressed in the ACR-treated JHH7 cells; treatment with ACR restored ATP to the basal levels observed in both EtOH-control and ACR-treated Hc cells (0.72-fold compared to the EtOH control-treated JHH7 cells). Moreover, real-time PCR analyses revealed that ACR significantly increased the expression of pyruvate dehydrogenase kinases 4 (PDK4), a key regulator of ATP production, in JHH7 cells but not in Hc cells (3.06-fold and 1.20-fold compared to the EtOH control, respectively). Conclusions/Significance The results of the present study suggest that ACR may suppress the enhanced energy metabolism of JHH7 cells but not Hc cells; this occurs at least in part via the cancer-selective enhancement of PDK4 expression. The cancer-selective metabolic pathways identified in

  2. Synthesis and Evaluation of Novel Acyclic Nucleoside Phosphonates as Inhibitors of Plasmodium falciparum and Human 6-Oxopurine Phosphoribosyltransferases.

    PubMed

    Kaiser, Martin M; Hocková, Dana; Wang, Tzu-Hsuan; Dračínský, Martin; Poštová-Slavětínská, Lenka; Procházková, Eliška; Edstein, Michael D; Chavchich, Marina; Keough, Dianne T; Guddat, Luke W; Janeba, Zlatko

    2015-10-01

    Acyclic nucleoside phosphonates (ANPs) are a promising class of antimalarial therapeutic drug leads that exhibit a wide variety of Ki values for Plasmodium falciparum (Pf) and human hypoxanthine-guanine-(xanthine) phosphoribosyltransferases [HG(X)PRTs]. A novel series of ANPs, analogues of previously reported 2-(phosphonoethoxy)ethyl (PEE) and (R,S)-3-hydroxy-2-(phosphonomethoxy)propyl (HPMP) derivatives, were designed and synthesized to evaluate their ability to act as inhibitors of these enzymes and to extend our ongoing antimalarial structure-activity relationship studies. In this series, (S)-3-hydroxy-2-(phosphonoethoxy)propyl (HPEP), (S)-2-(phosphonomethoxy)propanoic acid (CPME), or (S)-2-(phosphonoethoxy)propanoic acid (CPEE) are the acyclic moieties. Of this group, (S)-3-hydroxy-2-(phosphonoethoxy)propylguanine (HPEPG) exhibits the highest potency for PfHGXPRT, with a Ki value of 0.1 μM and a Ki value for human HGPRT of 0.6 μM. The crystal structures of HPEPG and HPEPHx (where Hx=hypoxanthine) in complex with human HGPRT were obtained, showing specific interactions with active site residues. Prodrugs for the HPEP and CPEE analogues were synthesized and tested for in vitro antimalarial activity. The lowest IC50 value (22 μM) in a chloroquine-resistant strain was observed for the bis-amidate prodrug of HPEPG. PMID:26368337

  3. Direct correlations of structural and optical properties of three-dimensional GaN/InGaN core/shell micro-light emitting diodes

    NASA Astrophysics Data System (ADS)

    Sadat Mohajerani, Matin; Müller, Marcus; Hartmann, Jana; Zhou, Hao; Wehmann, Hergo-H.; Veit, Peter; Bertram, Frank; Christen, Jürgen; Waag, Andreas

    2016-05-01

    Three-dimensional (3D) InGaN/GaN quantum-well (QW) core–shell light emitting diodes (LEDs) are a promising candidate for the future solid state lighting. In this contribution, we study direct correlations of structural and optical properties of the core–shell LEDs using highly spatially-resolved cathodoluminescence spectroscopy (CL) in combination with scanning electron microscopy (SEM) and scanning transmission electron microscopy (STEM). Temperature-dependent resonant photoluminescence (PL) spectroscopy has been performed to understand recombination mechanisms and to estimate the internal quantum efficiency (IQE).

  4. 3-dimensional magnetotelluric inversion including topography using deformed hexahedral edge finite elements and direct solvers parallelized on symmetric multiprocessor computers - Part II: direct data-space inverse solution

    NASA Astrophysics Data System (ADS)

    Kordy, M.; Wannamaker, P.; Maris, V.; Cherkaev, E.; Hill, G.

    2016-01-01

    Following the creation described in Part I of a deformable edge finite-element simulator for 3-D magnetotelluric (MT) responses using direct solvers, in Part II we develop an algorithm named HexMT for 3-D regularized inversion of MT data including topography. Direct solvers parallelized on large-RAM, symmetric multiprocessor (SMP) workstations are used also for the Gauss-Newton model update. By exploiting the data-space approach, the computational cost of the model update becomes much less in both time and computer memory than the cost of the forward simulation. In order to regularize using the second norm of the gradient, we factor the matrix related to the regularization term and apply its inverse to the Jacobian, which is done using the MKL PARDISO library. For dense matrix multiplication and factorization related to the model update, we use the PLASMA library which shows very good scalability across processor cores. A synthetic test inversion using a simple hill model shows that including topography can be important; in this case depression of the electric field by the hill can cause false conductors at depth or mask the presence of resistive structure. With a simple model of two buried bricks, a uniform spatial weighting for the norm of model smoothing recovered more accurate locations for the tomographic images compared to weightings which were a function of parameter Jacobians. We implement joint inversion for static distortion matrices tested using the Dublin secret model 2, for which we are able to reduce nRMS to ˜1.1 while avoiding oscillatory convergence. Finally we test the code on field data by inverting full impedance and tipper MT responses collected around Mount St Helens in the Cascade volcanic chain. Among several prominent structures, the north-south trending, eruption-controlling shear zone is clearly imaged in the inversion.

  5. A new class of acyclic nucleoside phosphonates: synthesis and biological activity of 9-[[(phosphonomethyl)aziridin-1-yl]methyl]guanine (PMAMG) and analogues.

    PubMed

    Abu Sheikha, Ghassan; La Colla, Paolo; Loi, Anna Giulia

    2002-10-01

    A new class of acyclic nucleoside phosphonates PMAMG, PMAMA, PMAMC, and PMAMT (compounds 1, 2, 3 and 4) have been synthesized and tested in vitro against a wide variety of viruses, fungi and bacteria. PMAMG (1) was synthesized by the alkylation reaction of acetylguanine with the phosphonate side-chain, diisopropyl [[2-(bromomethyl)aziridin-1-yl

  6. Boundary layer flow of three-dimensional viscoelastic nanofluid past a bi-directional stretching sheet with Newtonian heating

    NASA Astrophysics Data System (ADS)

    Ramzan, M.; Yousaf, Farhan

    2015-05-01

    This paper deals with steady three dimensional boundary layer flow of an incompressible viscoelastic nanofluid flow in the presence of Newtonian heating. An appropriate transformation is employed to convert the highly non linear partial differential equations into ordinary differential equations. Homotopy Analysis method (HAM) is used to find series solution of the obtained coupled highly non linear differential equations. The convergence of HAM solutions is discussed via h-curves. Graphical illustrations displaying the influence of emerging parameters on velocity, temperature and concentration profiles are given. It is observed that γ the conjugate parameter for Newtonian heating show increasing behavior on both temperature and concentration profiles. However, the temperature and concentration profiles are increasing and decreasing functions of Brownian motion parameter Nb respectively.

  7. In situ measurement of the two-dimensional temperature field of a dual-jet direct-current arc plasma.

    PubMed

    Guo, Heng; Li, Peng; Li, He-Ping; Ge, Nan; Bao, Cheng-Yu

    2016-03-01

    In this paper, a real time method for an in situ measurement of the two-dimensional (2-D) temperature filed of thermal plasmas is developed with the combination of the visible image processing technique and the spectroscopic line-ratio method at two specified wavelengths. After the calibration of the gray scale values of the recorded images with the CCD cameras by the emission intensity received using a spectrometer, the 2-D temperature field of the plasma arc-jet can be obtained conveniently based on the derived gray scale values of the CCD images at two specified wavelengths and the formula similar to that of spectroscopic line-ratio method. The experimental results show that the obtained temperature fields of the plasma arc-jet at different times are qualitatively reasonable and consistent with the modeling result. This newly developed method can be employed to measure the transient temperature fields of the plasmas with fluctuations during discharges effectively. PMID:27036772

  8. Direct laser writing and geometrical analysis of scaffolds with designed pore architecture for three-dimensional cell culturing

    NASA Astrophysics Data System (ADS)

    Käpylä, Elli; Aydogan, Dogu Baran; Virjula, Sanni; Vanhatupa, Sari; Miettinen, Susanna; Hyttinen, Jari; Kellomäki, Minna

    2012-11-01

    Traditional scaffold fabrication methods used in tissue engineering enable only limited control over essential parameters such as porosity, pore size and pore interconnectivity. In this study, we designed and fabricated five different types of three-dimensionally interconnected, highly porous scaffolds with precise control over the scaffold characteristics. We used two-photon polymerization (2PP) with a commercial polymer-ceramic material (Ormocomp®) for scaffold fabrication. Also for the first time, we analyzed the 2PP fabrication accuracy with respect to scaffold design parameters. Our results showed that the porosity values decreased up to 13% compared to the design specifications due to the fabrication process and the shrinkage of the material. Finally, we showed that our scaffolds supported human adipose stem cell adhesion and proliferation in a six day culture. By precise tuning of scaffold parameters, our design and fabrication method provides a novel approach for studying the effect of scaffold architecture on cell behavior in vitro.

  9. A method for the direct measurement of electronic site populations in a molecular aggregate using two-dimensional electronic-vibrational spectroscopy.

    PubMed

    Lewis, Nicholas H C; Dong, Hui; Oliver, Thomas A A; Fleming, Graham R

    2015-09-28

    Two dimensional electronic spectroscopy has proved to be a valuable experimental technique to reveal electronic excitation dynamics in photosynthetic pigment-protein complexes, nanoscale semiconductors, organic photovoltaic materials, and many other types of systems. It does not, however, provide direct information concerning the spatial structure and dynamics of excitons. 2D infrared spectroscopy has become a widely used tool for studying structural dynamics but is incapable of directly providing information concerning electronic excited states. 2D electronic-vibrational (2DEV) spectroscopy provides a link between these domains, directly connecting the electronic excitation with the vibrational structure of the system under study. In this work, we derive response functions for the 2DEV spectrum of a molecular dimer and propose a method by which 2DEV spectra could be used to directly measure the electronic site populations as a function of time following the initial electronic excitation. We present results from the response function simulations which show that our proposed approach is substantially valid. This method provides, to our knowledge, the first direct experimental method for measuring the electronic excited state dynamics in the spatial domain, on the molecular scale. PMID:26429003

  10. A method for the direct measurement of electronic site populations in a molecular aggregate using two-dimensional electronic-vibrational spectroscopy

    SciTech Connect

    Lewis, Nicholas H. C.; Dong, Hui; Oliver, Thomas A. A.; Fleming, Graham R.

    2015-09-28

    Two dimensional electronic spectroscopy has proved to be a valuable experimental technique to reveal electronic excitation dynamics in photosynthetic pigment-protein complexes, nanoscale semiconductors, organic photovoltaic materials, and many other types of systems. It does not, however, provide direct information concerning the spatial structure and dynamics of excitons. 2D infrared spectroscopy has become a widely used tool for studying structural dynamics but is incapable of directly providing information concerning electronic excited states. 2D electronic-vibrational (2DEV) spectroscopy provides a link between these domains, directly connecting the electronic excitation with the vibrational structure of the system under study. In this work, we derive response functions for the 2DEV spectrum of a molecular dimer and propose a method by which 2DEV spectra could be used to directly measure the electronic site populations as a function of time following the initial electronic excitation. We present results from the response function simulations which show that our proposed approach is substantially valid. This method provides, to our knowledge, the first direct experimental method for measuring the electronic excited state dynamics in the spatial domain, on the molecular scale.

  11. Recurrence of hyperprolactinemia and continuation of ovarian acyclicity in captive African elephants (Loxodonta africana) treated with cabergoline.

    PubMed

    Morfeld, Kari A; Ball, Ray L; Brown, Janine L

    2014-09-01

    Hyperprolactinemia is associated with reproductive acyclicity in zoo African elephants (Loxodonta africana) and may contribute to the non-self-sustainability of the captive population in North America. It is a common cause of infertility in women and other mammals and can be treated with the dopamine agonist cabergoline. The objectives of this study were to assess prolactin responses to cabergoline treatment in hyperprolactinemic, acyclic African elephants and to determine the subsequent impact on ovarian cyclic activity. Five elephants, diagnosed as hyperprolactinemic (>11 ng/ml prolactin) and acyclic (maintenance of baseline progestagens for at least 1 yr), were treated with 1-2 mg cabergoline orally twice weekly for 16-82 wk. Cabergoline reduced (P < 0.05) serum prolactin concentrations during the treatment period compared to pretreatment levels in four of five elephants (11.5 +/- 3.2 vs. 9.1 +/- 3.4 ng/ml; 20.3 +/- 16.7 vs. 7.9 +/- 9.8 ng/ml; 26.4 +/- 15.0 vs. 6.8 +/- 1.5 ng/ml; 42.2 +/- 22.6 vs. 18.6 +/- 8.9 ng/ml). However, none of the females resumed ovarian cyclicity based on serum progestagen analyses up to 1 yr posttreatment. In addition, within 1 to 6 wk after cessation of oral cabergoline, serum prolactin concentrations returned to concentrations that were as high as or higher than before treatment (P < 0.05). One elephant that exhibited the highest pretreatment prolactin concentration (75.2 +/- 10.5 ng/ml) did not respond to cabergoline and maintained elevated levels throughout the study. Thus, oral cabergoline administration reduced prolactin concentrations in elephants with hyperprolactinemia, but there was no resumption of ovarian cyclicity, and a significant prolactin rebound effect was observed. It is possible that higher doses or longer treatment intervals may be required for cabergoline treatment to result in permanent suppression of prolactin secretion and to mitigate associated ovarian cycle problems. PMID:25314824

  12. Dynamic stiffening of poly(ethylene glycol)-based hydrogels to direct valvular interstitial cell phenotype in a three-dimensional environment.

    PubMed

    Mabry, Kelly M; Lawrence, Rosa L; Anseth, Kristi S

    2015-05-01

    Valvular interstitial cells (VICs) are active regulators of valve homeostasis and disease, responsible for secreting and remodeling the valve tissue matrix. As a result of VIC activity, the valve modulus can substantially change during development, injury and repair, and disease progression. While two-dimensional biomaterial substrates have been used to study mechanosensing and its influence on VIC phenotype, less is known about how these cells respond to matrix modulus in a three-dimensional environment. Here, we synthesized MMP-degradable poly(ethylene glycol) (PEG) hydrogels with elastic moduli ranging from 0.24 kPa to 12 kPa and observed that cell morphology was constrained in stiffer gels. To vary gel stiffness without substantially changing cell morphology, cell-laden hydrogels were cultured in the 0.24 kPa gels for 3 days to allow VIC spreading, and then stiffened in situ via a second, photoinitiated thiol-ene polymerization such that the gel modulus increased from 0.24 kPa to 1.2 kPa or 13 kPa. VICs encapsulated within soft gels exhibited αSMA stress fibers (∼ 40%), a hallmark of the myofibroblast phenotype. Interestingly, in stiffened gels, VICs became deactivated to a quiescent fibroblast phenotype, suggesting that matrix stiffness directs VIC phenotype independent of morphology, but in a manner that depends on the dimensionality of the culture platform. Collectively, these studies present a versatile method for dynamic stiffening of hydrogels and demonstrate the significant effects of matrix modulus on VIC myofibroblast properties in three-dimensional environments. PMID:25725554

  13. The use of total human bone marrow fraction in a direct three-dimensional expansion approach for bone tissue engineering applications: focus on angiogenesis and osteogenesis.

    PubMed

    Guerrero, Julien; Oliveira, Hugo; Catros, Sylvain; Siadous, Robin; Derkaoui, Sidi-Mohammed; Bareille, Reine; Letourneur, Didier; Amédée, Joëlle

    2015-03-01

    Current approaches in bone tissue engineering have shown limited success, mostly owing to insufficient vascularization of the construct. A common approach consists of co-culture of endothelial cells and osteoblastic cells. This strategy uses cells from different sources and differentiation states, thus increasing the complexity upstream of a clinical application. The source of reparative cells is paramount for the success of bone tissue engineering applications. In this context, stem cells obtained from human bone marrow hold much promise. Here, we analyzed the potential of human whole bone marrow cells directly expanded in a three-dimensional (3D) polymer matrix and focused on the further characterization of this heterogeneous population and on their ability to promote angiogenesis and osteogenesis, both in vitro and in vivo, in a subcutaneous model. Cellular aggregates were formed within 24 h and over the 12-day culture period expressed endothelial and bone-specific markers and a specific junctional protein. Ectopic implantation of the tissue-engineered constructs revealed osteoid tissue and vessel formation both at the periphery and within the implant. This work sheds light on the potential clinical use of human whole bone marrow for bone regeneration strategies, focusing on a simplified approach to develop a direct 3D culture without two-dimensional isolation or expansion. PMID:25333855

  14. A new technique for studying directional cell migration in a hydrogel-based three-dimensional matrix for tissue engineering model systems.

    PubMed

    Topman, Gil; Shoham, Naama; Sharabani-Yosef, Orna; Lin, Feng-Huei; Gefen, Amit

    2013-08-01

    Cell migration has a key role in biological processes, e.g. malignancy, wound healing, immune response and morphogenesis. Studying migration and factors that influence it is beneficial, e.g. for developing drugs to suppress metastasis, heal wounds faster or enhance the response to infection. Though the majority of the literature describes two-dimensional (2D) migration studies in culture dishes, a more realistic approach is to study migration in three-dimensional (3D) constructs. However, simple-to-implement, straight-forward standardized quantitative techniques for analysis of migration rates of cell colonies in 3D are still required in the field. Here, we describe a new model system for quantifying directional migration of colonies in a hyaluronic acid (oxi-HA) and adipic acid dihydrazide (ADH) hydrogel-based 3D matrix. We further demonstrate that our previously reported image processing technique for measuring migration in 2D (Topman et al., 2011, 2012) is extendable for analyzing the rates of migration of cells that directionally migrate in the hydrogel and are fluorescently stained with a 4',6-diamidino-2-phenylindole (DAPI) nuclear stain. Together, the present experimental setup and image processing algorithm provide a standard test bench for measuring migration rates in a fully automated, robust assay which is useful for high-throughput screening in large-scale drug evaluations, where effects on migration in a 3D matrix are sought. PMID:23896652

  15. The Use of Total Human Bone Marrow Fraction in a Direct Three-Dimensional Expansion Approach for Bone Tissue Engineering Applications: Focus on Angiogenesis and Osteogenesis

    PubMed Central

    Oliveira, Hugo; Catros, Sylvain; Siadous, Robin; Derkaoui, Sidi-Mohammed; Bareille, Reine; Letourneur, Didier; Amédée, Joëlle

    2015-01-01

    Current approaches in bone tissue engineering have shown limited success, mostly owing to insufficient vascularization of the construct. A common approach consists of co-culture of endothelial cells and osteoblastic cells. This strategy uses cells from different sources and differentiation states, thus increasing the complexity upstream of a clinical application. The source of reparative cells is paramount for the success of bone tissue engineering applications. In this context, stem cells obtained from human bone marrow hold much promise. Here, we analyzed the potential of human whole bone marrow cells directly expanded in a three-dimensional (3D) polymer matrix and focused on the further characterization of this heterogeneous population and on their ability to promote angiogenesis and osteogenesis, both in vitro and in vivo, in a subcutaneous model. Cellular aggregates were formed within 24 h and over the 12-day culture period expressed endothelial and bone-specific markers and a specific junctional protein. Ectopic implantation of the tissue-engineered constructs revealed osteoid tissue and vessel formation both at the periphery and within the implant. This work sheds light on the potential clinical use of human whole bone marrow for bone regeneration strategies, focusing on a simplified approach to develop a direct 3D culture without two-dimensional isolation or expansion. PMID:25333855

  16. Direct electrical observation of plasma wave-related effects in GaN-based two-dimensional electron gases

    SciTech Connect

    Zhao, Y.; Chen, W.; Li, W.; Zhu, M.; Yue, Y.; Song, B.; Encomendero, J.; Xing, H.; Fay, P.; Sensale-Rodriguez, B.

    2014-10-27

    In this work, signatures of plasma waves in GaN-based high electron mobility transistors were observed by direct electrical measurement at room temperature. Periodic grating-gate device structures were fabricated and characterized by on-wafer G-band (140–220 GHz) s-parameter measurements as a function of gate bias voltage and device geometry. A physics-based equivalent circuit model was used to assist in interpreting the measured s-parameters. The kinetic inductance extracted from the measurement data matches well with theoretical predictions, consistent with direct observation of plasma wave-related effects in GaN-channel devices at room temperature. This observation of electrically significant room-temperature plasma-wave effects in GaN-channel devices may have implications for future millimeter-wave and THz device concepts and designs.

  17. Three-dimensional matrix fiber alignment modulates cell migration and MT1-MMP utility by spatially and temporally directing protrusions.

    PubMed

    Fraley, Stephanie I; Wu, Pei-Hsun; He, Lijuan; Feng, Yunfeng; Krisnamurthy, Ranjini; Longmore, Gregory D; Wirtz, Denis

    2015-01-01

    Multiple attributes of the three-dimensional (3D) extracellular matrix (ECM) have been independently implicated as regulators of cell motility, including pore size, crosslink density, structural organization, and stiffness. However, these parameters cannot be independently varied within a complex 3D ECM protein network. We present an integrated, quantitative study of these parameters across a broad range of complex matrix configurations using self-assembling 3D collagen and show how each parameter relates to the others and to cell motility. Increasing collagen density resulted in a decrease and then an increase in both pore size and fiber alignment, which both correlated significantly with cell motility but not bulk matrix stiffness within the range tested. However, using the crosslinking enzyme Transglutaminase II to alter microstructure independently of density revealed that motility is most significantly predicted by fiber alignment. Cellular protrusion rate, protrusion orientation, speed of migration, and invasion distance showed coupled biphasic responses to increasing collagen density not predicted by 2D models or by stiffness, but instead by fiber alignment. The requirement of matrix metalloproteinase (MMP) activity was also observed to depend on microstructure, and a threshold of MMP utility was identified. Our results suggest that fiber topography guides protrusions and thereby MMP activity and motility. PMID:26423227

  18. Three-dimensional matrix fiber alignment modulates cell migration and MT1-MMP utility by spatially and temporally directing protrusions

    NASA Astrophysics Data System (ADS)

    Fraley, Stephanie I.; Wu, Pei-Hsun; He, Lijuan; Feng, Yunfeng; Krisnamurthy, Ranjini; Longmore, Gregory D.; Wirtz, Denis

    2015-10-01

    Multiple attributes of the three-dimensional (3D) extracellular matrix (ECM) have been independently implicated as regulators of cell motility, including pore size, crosslink density, structural organization, and stiffness. However, these parameters cannot be independently varied within a complex 3D ECM protein network. We present an integrated, quantitative study of these parameters across a broad range of complex matrix configurations using self-assembling 3D collagen and show how each parameter relates to the others and to cell motility. Increasing collagen density resulted in a decrease and then an increase in both pore size and fiber alignment, which both correlated significantly with cell motility but not bulk matrix stiffness within the range tested. However, using the crosslinking enzyme Transglutaminase II to alter microstructure independently of density revealed that motility is most significantly predicted by fiber alignment. Cellular protrusion rate, protrusion orientation, speed of migration, and invasion distance showed coupled biphasic responses to increasing collagen density not predicted by 2D models or by stiffness, but instead by fiber alignment. The requirement of matrix metalloproteinase (MMP) activity was also observed to depend on microstructure, and a threshold of MMP utility was identified. Our results suggest that fiber topography guides protrusions and thereby MMP activity and motility.

  19. Three-dimensional matrix fiber alignment modulates cell migration and MT1-MMP utility by spatially and temporally directing protrusions

    PubMed Central

    Fraley, Stephanie I.; Wu, Pei-hsun; He, Lijuan; Feng, Yunfeng; Krisnamurthy, Ranjini; Longmore, Gregory D.; Wirtz, Denis

    2015-01-01

    Multiple attributes of the three-dimensional (3D) extracellular matrix (ECM) have been independently implicated as regulators of cell motility, including pore size, crosslink density, structural organization, and stiffness. However, these parameters cannot be independently varied within a complex 3D ECM protein network. We present an integrated, quantitative study of these parameters across a broad range of complex matrix configurations using self-assembling 3D collagen and show how each parameter relates to the others and to cell motility. Increasing collagen density resulted in a decrease and then an increase in both pore size and fiber alignment, which both correlated significantly with cell motility but not bulk matrix stiffness within the range tested. However, using the crosslinking enzyme Transglutaminase II to alter microstructure independently of density revealed that motility is most significantly predicted by fiber alignment. Cellular protrusion rate, protrusion orientation, speed of migration, and invasion distance showed coupled biphasic responses to increasing collagen density not predicted by 2D models or by stiffness, but instead by fiber alignment. The requirement of matrix metalloproteinase (MMP) activity was also observed to depend on microstructure, and a threshold of MMP utility was identified. Our results suggest that fiber topography guides protrusions and thereby MMP activity and motility. PMID:26423227

  20. Laser-guided direct writing for three-dimensional tissue engineering: Analysis and application of radiation forces

    NASA Astrophysics Data System (ADS)

    Nahmias, Yaakov Koby

    Tissue Engineering aims for the creation of functional tissues or organs using a combination of biomaterials and living cells. Artificial tissues can be implanted in patients to restore tissue function that was lost due to trauma, disease, or genetic disorder. Tissue equivalents may also be used to screen the effects of drugs and toxins, reducing the use of animals in research. One of the principle limitations to the size of engineered tissue is oxygen and nutrient transport. Lacking their own vascular bed, cells embedded in the engineered tissue will consume all available oxygen within hours while out branching blood vessels will take days to vascularize the implanted tissue. Establishing capillaries within the tissue prior to implantation can potentially eliminate this limitation. One approach to establishing capillaries within the tissue is to directly write endothelial cells with micrometer accuracy as it is being built. The patterned endothelial cells will then self-assemble into vascular structures within the engineering tissue. The cell patterning technique known as laser-guided direct writing can confine multiple cells in a laser beam and deposit them as a steady stream on any non-absorbing surface with micrometer scale accuracy. By applying the generalized Lorenz-Mie theory for light scattering on laser-guided direct writing we were able to accurately predict the behavior of with various cells and particles in the focused laser. In addition, two dimensionless parameters were identified for general radiation-force based system design. Using laser-guided direct writing we were able to direct the assembly of endothelial vascular structures with micrometer accuracy in two and three dimensions. The patterned vascular structures provided the backbone for subsequent in vitro liver morphogenesis. Our studies show that hepatocytes migrate toward and adhere to endothelial vascular structures in response to endothelial-secreted hepatocyte growth factor (HGF). Our

  1. On the strong difference in reactivity of acyclic and cyclic diazodiketones with thioketones: experimental results and quantum-chemical interpretation

    PubMed Central

    Mereshchenko, Andrey S; Ivanov, Alexey V; Baranovskii, Viktor I; Rodina, Ludmila L

    2015-01-01

    Summary The 1,3-dipolar cycloaddition of acyclic 2-diazo-1,3-dicarbonyl compounds (DDC) and thioketones preferably occurs with Z,E-conformers and leads to the formation of transient thiocarbonyl ylides in two stages. The thermodynamically favorable further transformation of C=S ylides bearing at least one acyl group is identified as the 1,5-electrocyclization into 1,3-oxathioles. However, in the case of diazomalonates, the dominating process is 1,3-cyclization into thiiranes followed by their spontaneous desulfurization yielding the corresponding alkenes. Finally, carbocyclic diazodiketones are much less reactive under similar conditions due to the locked cyclic structure and are unfavorable for the 1,3-dipolar cycloaddition due to the Z,Z-conformation of the diazo molecule. This structure results in high, positive values of the Gibbs free energy change for the first stage of the cycloaddition process. PMID:25977725

  2. Synthesis and antiviral activity of novel acyclic nucleoside analogues of 5-(1-azido-2-haloethyl)uracils.

    PubMed

    Kumar, R; Sharma, N; Nath, M; Saffran, H A; Tyrrell, D L

    2001-11-22

    We present the discovery of a novel category of 5-substituted acyclic pyrimidine nucleosides as potent antiviral agents. A series of 1-[(2-hydroxyethoxy)methyl] (5-7), 1-[(2-hydroxy-1-(hydroxymethyl)ethoxy)methyl] (8-10), and 1-[4-hydroxy-3-(hydroxymethyl)-1-butyl] (11-13) derivatives of 5-(1-azido-2-haloethyl)uracil were synthesized and evaluated for their biological activity in cell culture. 1-[4-Hydroxy-3-(hydroxymethyl)-1-butyl]-5-(1-azido-2-chloroethyl)uracil (12) was the most effective antiviral agent in the in vitro assays against DHBV (EC(50) = 0.31-1.55 microM) and HCMV (EC(50) = 3.1 microM). None of the compounds investigated showed any detectable toxicity to several stationary and proliferating host cells. PMID:11708924

  3. Synthesis of one-dimensional metal-containing insulated molecular wire with versatile properties directed toward molecular electronics materials.

    PubMed

    Masai, Hiroshi; Terao, Jun; Seki, Shu; Nakashima, Shigeto; Kiguchi, Manabu; Okoshi, Kento; Fujihara, Tetsuaki; Tsuji, Yasushi

    2014-02-01

    We report, herein, the design, synthesis, and properties of new materials directed toward molecular electronics. A transition metal-containing insulated molecular wire was synthesized through the coordination polymerization of a Ru(II) porphyrin with an insulated bridging ligand of well-defined structure. The wire displayed not only high linearity and rigidity, but also high intramolecular charge mobility. Owing to the unique properties of the coordination bond, the interconversion between the monomer and polymer states was realized under a carbon monoxide atmosphere or UV irradiation. The results demonstrated a high potential of the metal-containing insulated molecular wire for applications in molecular electronics. PMID:24428791

  4. Tailor-made tricalcium phosphate bone implant directly fabricated by a three-dimensional ink-jet printer.

    PubMed

    Igawa, Kazuyo; Mochizuki, Manabu; Sugimori, Osamu; Shimizu, Koutaro; Yamazawa, Kenji; Kawaguchi, Hiroshi; Nakamura, Kozo; Takato, Tsuyoshi; Nishimura, Ryouhei; Suzuki, Shigeki; Anzai, Masahiro; Chung, Ung-il; Sasaki, Nobuo

    2006-01-01

    Rapid prototyping (RP) is a molding technique that builds a three-dimensional (3D) model from computer-aided design (CAD) data. We fabricated new tailor-made bone implants (TIs) from alpha-tricalcium phosphate powder using an RP ink-jet printer based on computed tomography (CT) data, and evaluated their safety and efficacy. CT data of the skulls of seven beagle dogs were obtained and converted to CAD data, and bone defects were virtually made in the skull bilaterally. TIs were designed to fit the defects and were fabricated using the 3D ink-jet printer with six horizontal cylindrical holes running through the implants, designed for possible facilitation of vascular invasion and bone regeneration. As a control, hydroxyapatite implants (HIs) were cut manually from porous hydroxyapatite blocks. Then, craniectomy was performed to create real skull defects, and TIs and HIs were implanted. After implantation, CT was performed regularly, and the animals were euthanized at 24 weeks. No major side effects were observed. CT analysis showed narrowing of the cylindrical holes; bony bridging between the implants and the temporal bone was observed only for TIs. Histological analysis revealed substantial new bone formation inside the cylindrical holes in the TIs, while mainly connective tissues invaded the porous structures in HIs. Bone marrow was observed only in TIs. Osteoclasts were seen to resorb regenerated bone from inside the cylindrical holes and to invade and probably resorb the TIs. These data suggest that TIs are a safe and effective bone substitute, possessing osteoconductivity comparable with that of HIs. PMID:17171402

  5. Detection and extraction of orientation-and-scale-dependent information from two-dimensional GPR data with tuneable directional wavelet filters

    NASA Astrophysics Data System (ADS)

    Tzanis, Andreas

    2013-02-01

    The Ground Probing Radar (GPR) is a valuable tool for near surface geological, geotechnical, engineering, environmental, archaeological and other work. GPR images of the subsurface frequently contain geometric information (constant or variable-dip reflections) from various structures such as bedding, cracks, fractures, etc. Such features are frequently the target of the survey; however, they are usually not good reflectors and they are highly localized in time and in space. Their scale is therefore a factor significantly affecting their detectability. At the same time, the GPR method is very sensitive to broadband noise from buried small objects, electromagnetic anthropogenic activity and systemic factors, which frequently blurs the reflections from such targets. This paper introduces a method to de-noise GPR data and extract geometric information from scale-and-dip dependent structural features, based on one-dimensional B-Spline Wavelets, two-dimensional directional B-Spline Wavelet (BSW) Filters and two-dimensional Gabor Filters. A directional BSW Filter is built by sidewise arranging s identical one-dimensional wavelets of length L, tapering the s-parallel direction (span) with a suitable window function and rotating the resulting matrix to the desired orientation. The length L of the wavelet defines the temporal and spatial scale to be isolated and the span determines the length over which to smooth (spatial resolution). The Gabor Filter is generated by multiplying an elliptical Gaussian by a complex plane wave; at any orientation the temporal or spatial scale(s) to be isolated are determined by the wavelength. λ of the plane wave and the spatial resolution by the spatial aspect ratio γ, which specifies the ellipticity of the support of the Gabor function. At any orientation, both types of filter may be tuned at any frequency or spatial wavenumber by varying the length or the wavelength respectively. The filters can be applied directly to two-dimensional

  6. Direct simulations of trailing-edge noise generation from two-dimensional airfoils at low Reynolds numbers

    NASA Astrophysics Data System (ADS)

    Ikeda, Tomoaki; Atobe, Takashi; Takagi, Shohei

    2012-01-01

    The aeroacoustic sound generated from the flow around two NACA four-digit airfoils is investigated numerically, at relatively low Reynolds numbers that do not prompt boundary-layer transition. By using high-order finite-difference schemes to discretize compressible Navier-Stokes equations, the sound scattered on airfoil surface is directly resolved as an unsteady pressure fluctuation. As the wavelength of an emitted noise is shortened compared to the airfoil chord, the diffraction effect on non-compact chord length appears more noticeable, developing multiple lobes in directivity. The instability mechanism that produces sound sources, or unsteady vortical motions, is quantitatively examined, also by using a linear stability theory. While the evidence of boundary-layer instability waves is captured in the present result, the most amplified frequency in the boundary shear layer does not necessarily agree with the primary frequency of a trailing-edge noise, when wake instability is dominant in laminar flow. This contradicts the observation of other trailing-edge noise studies at higher Reynolds numbers. However, via acoustic disturbances, the boundary-layer instability may become more significant, through the resonance with the wake instability, excited by increasing a base-flow Mach number. Evidence suggests that this would correspond to the onset of an acoustic feedback loop. The wake-flow frequencies derived by an absolute-instability analysis are compared with the frequencies realized in flow simulations, to clarify the effect of an acoustic feedback mechanism, at a low Reynolds number.

  7. Directional asymmetry of the nonlinear wave phenomena in a three-dimensional granular phononic crystal under gravity.

    PubMed

    Merkel, A; Tournat, V; Gusev, V

    2014-08-01

    We report the experimental observation of the gravity-induced asymmetry for the nonlinear transformation of acoustic waves in a noncohesive granular phononic crystal. Because of the gravity, the contact precompression increases with depth inducing space variations of not only the linear and nonlinear elastic moduli but also of the acoustic wave dissipation. We show experimentally and explain theoretically that, in contrast to symmetric propagation of linear waves, the amplitude of the nonlinearly self-demodulated wave depends on whether the propagation of the waves is in the direction of the gravity or in the opposite direction. Among the observed nonlinear processes, we report frequency mixing of the two transverse-rotational modes belonging to the optical band of vibrations and propagating with negative phase velocities, which results in the excitation of a longitudinal wave belonging to the acoustic band of vibrations and propagating with positive phase velocity. We show that the measurements of the gravity-induced asymmetry in the nonlinear acoustic phenomena can be used to compare the in-depth distributions of the contact nonlinearity and of acoustic absorption. PMID:25215842

  8. Directional asymmetry of the nonlinear wave phenomena in a three-dimensional granular phononic crystal under gravity

    NASA Astrophysics Data System (ADS)

    Merkel, A.; Tournat, V.; Gusev, V.

    2014-08-01

    We report the experimental observation of the gravity-induced asymmetry for the nonlinear transformation of acoustic waves in a noncohesive granular phononic crystal. Because of the gravity, the contact precompression increases with depth inducing space variations of not only the linear and nonlinear elastic moduli but also of the acoustic wave dissipation. We show experimentally and explain theoretically that, in contrast to symmetric propagation of linear waves, the amplitude of the nonlinearly self-demodulated wave depends on whether the propagation of the waves is in the direction of the gravity or in the opposite direction. Among the observed nonlinear processes, we report frequency mixing of the two transverse-rotational modes belonging to the optical band of vibrations and propagating with negative phase velocities, which results in the excitation of a longitudinal wave belonging to the acoustic band of vibrations and propagating with positive phase velocity. We show that the measurements of the gravity-induced asymmetry in the nonlinear acoustic phenomena can be used to compare the in-depth distributions of the contact nonlinearity and of acoustic absorption.

  9. An initial assessment of three-dimensional polar direct drive capsule asymmetries for implosions at the National Ignition Facility

    NASA Astrophysics Data System (ADS)

    Krasheninnikova, Natalia S.; Finnegan, Sean M.; Schmitt, Mark J.

    2012-01-01

    The National Ignition Facility (NIF) provides a unique opportunity to study implosion physics with nuclear yield. The use of polar direct drive (PDD) [A. M. Cok, R. S. Craxton, and P. W. McKenty, Phys. Plasmas 15, 082705 (2008)] provides a simple platform for the experimental studies without expensive optics upgrades to NIF. To determine the optimum PDD laser pointing geometry on NIF and provide a baseline for validating inertial confinement fusion codes against experiments for symmetric and asymmetric implosions, computer simulations using the 3D radiation-hydrodynamics code hydra [M. M. Marinak, R. E. Tipton, O. L. Landen, T. J. Murphy, P. Amendt, S. W. Haan, S. P. Hatchett, C. J. Keane, R. McEachern, and R. Wallace, Phys. Plasmas 3, 2070 (1996)] were preformed. The upper hemisphere of a DT-filled CH capsule was imploded by 96 NIF beams in a PDD configuration. Asymmetries in both polar and equatorial directions around the capsule were observed, with the former dominating the latter. Analysis of the simulation results indicates that the lack of symmetry in the initial power density profile (during the first 200 ps of the implosion) is a primary cause of late-time asymmetry in the implosion as well as decreased yield. By adjusting the laser pointings, the symmetry and total neutron yield were improved. Simulations with dropped quads (four of the NIF laser system's 192 beamlines) without repointing worsen the overall symmetry by a factor of 10 (with respect to rms radial variation around the capsule) and reduce neutron yield by a factor of 2. Both of these degraded implosion characteristics are restored by azimuthal repointing of the remaining quads.

  10. Direct comparison between a two-dimensional magneto-optical trap and a Zeeman slower as sources of cold sodium atoms

    NASA Astrophysics Data System (ADS)

    Pedrozo-Peñafiel, E.; Vivanco, F.; Castilho, P.; Paiva, R. R.; Farias, K. M.; Bagnato, V. S.

    2016-06-01

    The atom source is a relevant component in many atomic molecular optics experiments. The compactness and efficiency of the source are fundamental issues, acquiring more importance as the complexity of the experiments increases. Characterizing new techniques to produce high atom flux is necessary to know the efficiency and peculiarities of each one. This allows choosing the most suitable source for a specific experiment. In this work, we show a direct comparison between a two-dimensional magneto-optical trap (2D-MOT) and a Zeeman slower (ZS) as source of cold sodium atoms to load a standard three-dimensional magneto-optical trap. The optimum parameters for each case are obtained by observing the loading rate and the final number of atoms in the 3D-MOT. We conclude that the 2D-MOT provides a high flux of atoms comparable with that produced by the ZS, but with an enormous advantage with respect to the size of the apparatus.

  11. Direct inversion of surface wave dispersion for three-dimensional shallow crustal structure based on ray tracing: methodology and application

    NASA Astrophysics Data System (ADS)

    Fang, Hongjian; Yao, Huajian; Zhang, Haijiang; Huang, Yu-Chih; van der Hilst, Robert D.

    2015-06-01

    We propose a method to invert surface wave dispersion data directly for 3-D variations of shear wave speed, that is, without the intermediate step of phase or group velocity maps, using frequency-dependent ray tracing and a wavelet-based sparsity-constrained tomographic inversion. A fast marching method is used to compute, at each period, surface wave traveltimes and ray paths between sources and receivers. This avoids the assumption of great-circle propagation that is used in most surface wave tomographic studies, but which is not appropriate in complex media. To simplify the problem we consider quasi-stratified media with smoothly varying seismic properties. We represent the 3-D shear wave speed model by means of 1-D profiles beneath grid points, which are determined from all dispersion data simultaneously using a wavelet-based sparsity-constrained tomographic method. The wavelet coefficients of the wave speed model are estimated with an iteratively reweighted least squares algorithm, and upon iteration the surface wave ray paths and the data sensitivity matrix are updated using the newly obtained wave speed model. To demonstrate its feasibility, we apply the method to determine the 3-D shallow crustal shear wave speed variations in the Taipei basin of Taiwan using short period interstation Rayleigh wave phase velocity dispersion measurements extracted from the ambient noise cross-correlation method. The results are consistent with previous studies and reveal strong shallow crustal heterogeneity that correlates with surface geology.

  12. Direct measurement of the spin gap in a quasi-one-dimensional clinopyroxene: NaTiSi2O6

    DOE PAGESBeta

    Silverstein, Harlyn J.; Smith, Alison E.; Mauws, Cole; Abernathy, Douglas L.; Zhou, Haidong; Dun, Zhiling; van Lierop, Johan; Wiebe, Christopher R.

    2014-10-13

    True inorganic Spin-Peierls materials are extremely rare, but NaTiSi2O6 was at one time considered an ideal candidate due to it having well separated chains of edge-sharing TiO6 octahedra. At low temperatures, this material undergoes a phase transition from C2/c to Pmore » $$\\bar{1}$$ symmetry, where Ti3+-Ti3+ dimers begin to form within the chains. However, it was quickly realized with magnetic susceptibility that simple spin fluctuations do not progress to the point of enabling such a transition. Since then, considerable experimental and theoretical endeavours have been taken to find the true ground state of this system and explain how it manifests. Here, we employ the use of x-ray diffraction, neutron spectroscopy, and magnetic susceptibility to directly and simultaneously measure the symmetry loss, spin singlet-triplet gap, and phonon modes. Lastly, we observed a gap of 53(3) meV, fit to the magnetic susceptibility, and compared to previous theoretical models to unambiguously assign NaTiSi2O6 as having an orbital-assisted Peierls ground state.« less

  13. Pt loaded two-dimensional TaC-nanosheet/graphene hybrid as an efficient and durable electrocatalyst for direct methanol fuel cells

    NASA Astrophysics Data System (ADS)

    He, Chunyong; Tao, Juzhou

    2016-08-01

    Poor electrocatalytic activity, insufficient operation durability and low carbon monoxide (CO) tolerance of the Pt-based catalysts are key challenges facing the direct methanol fuel cells (DMFCs) as promising electrochemical energy conversion device. We here present a new effort to catalyst designed by depositing Pt nanoparticles on two-dimensional (2D) TaC-nanosheet/graphene hybird (Pt/TaC-G) to obtain notable improvement in electrocatalytic performance over the commercial Pt/C. Experiment results from both X-ray photoelectron spectroscopy (XPS) and X-ray absorption spectroscopy (XAS) support that a strong synergetic chemical coupling interaction between the Pt nanoparticles and the 2D TaC-G significantly enhanced electrocatalytic activity for methanol oxidation reaction (MOR). This process can improve the CO tolerance as well as durability of MOR catalysts simultaneously, making it a promising general approach to design and optimize the next generation electrocatalysts in DMFCs.

  14. Simultaneous enantioselective quantification of fluoxetine and norfluoxetine in human milk by direct sample injection using 2-dimensional liquid chromatography-tandem mass spectrometry.

    PubMed

    Alvim-Jr, Joel; Lopes, Bianca Rebelo; Cass, Quezia Bezerra

    2016-06-17

    A two-dimensional liquid chromatography system coupled to triple quadrupole tandem mass spectrometer (2D LC-MS/MS) was employed for the simultaneously quantification of fluoxetine (FLX) and norfluoxetine (NFLX) enantiomers in human milk by direct injection of samples. A restricted access media of bovine serum albumin octadecyl column (RAM-BSAC18) was used in the first dimension for the milk proteins depletion, while an antibiotic-based chiral column was used in the second dimension. The results herein described show good selectivity, extraction efficiency, accuracy, and precision with limits of quantification in the order of 7.5ngmL(-1)for the FLX enantiomers and 10.0ngmL(-1) for NFLX enantiomers. Furthermore, it represents a practical tool in terms of sustainability for the sample preparation of such a difficult matrix. PMID:27208983

  15. Direct laser writing of three-dimensional narrow bandgap and high refractive-index PbSe structures in a solution.

    PubMed

    Gan, Zongsong; Cao, Yaoyu; Gu, Min

    2013-05-01

    Three-dimensional (3D) micro/nano structures made of narrow electronic bandgap semiconductor materials have important applications in a wide range of disciplines. Direct laser writing (DLW) provides the unparalleled advantage to fabricate 3D arbitrary geometric structures at the micro and nano meter scale. The fabrication of 3D structures within bulk narrow electronic bandgap semiconductor materials by DLW is challenged for the top-down strategy due to their narrow bandgap and high refractive index. Here, we report on the bottom-up strategy for the fabrication of 3D micro/nano structures made from PbSe with an electronic bandgap as narrow as 0.27 eV and a refractive index as high as 4.82 in a solution. PMID:23669977

  16. New apparatus for direct counting of. beta. particles from two-dimensional gels and an application to changes in protein synthesis due to cell density

    SciTech Connect

    Anderson, H.L.; Puck, T.T.; Shera, E.B.

    1987-07-01

    A new method is described for scanning two-dimensional gels by the direct counting of ..beta.. particles instead of autoradiography. The methodology is described; results are compared with autoradiographic results; and data are presented demonstrating changed patterns of protein synthesis accompanying changes in cell density. The method is rapid and permits identification of differences in protein abundance of approximately 10% for a substantial fraction of the more prominent proteins. A modulation effect of more than 5 standard deviations, accompanying contact inhibition of cell growth, is shown to occur for an appreciable number of these proteins. The method promises to be applicable to a variety of biochemical and genetic experiments designed to delineate changes in protein synthesis accompanying changes in genome, molecular environment, history, and state of differentiation of the cell populations studied. 13 refs., 8 figs., 4 tabs.

  17. Amperometric carbohydrate antigen 19-9 immunosensor based on three dimensional ordered macroporous magnetic Au film coupling direct electrochemistry of horseradish peroxidase.

    PubMed

    Zhang, Qi; Chen, Xiaojun; Tang, Yin; Ge, Lingna; Guo, Buhua; Yao, Cheng

    2014-03-01

    A sandwich-type electrochemical immunosensor for the detection of carbohydrate antigen 19-9 (CA 19-9) antigen based on the immobilization of primary antibody (Ab1) on three dimensional ordered macroporous magnetic (3DOMM) electrode, and the direct electrochemistry of horseradish peroxidase (HRP) that was used as both the label of secondary antibody (Ab2) and the blocking reagent. The 3DOMM electrode was fabricated by introducing core-shell Au-SiO2@Fe3O4 nanospheres onto the surface of three dimensional ordered macroporous (3DOM) Au electrode via the application of an external magnet. Au nanoparticles functionalized SBA-15 (Au@SBA-15) was conjugated to the HRP labeled secondary antibody (HRP-Ab2) through the Au-SH or Au-NH3(+) interaction, and HRP was also used as the block reagent. The formation of antigen-antibody complex made the combination of Au@SBA-15 and 3DOMM exhibit remarkable synergistic effects for accelerating direct electron transfer (DET) between HRP and the electrode. Under the optimal conditions, the DET current signal increased proportionally to CA 19-9 concentration in the range of 0.05 to 15.65 U mL(-1) with a detection limit of 0.01 U mL(-1). Moreover, the immunosensor showed high selectivity, good stability, satisfactory reproducibility and regeneration. Importantly, the developed method was used to assay clinical serum specimens, achieving a good relation with those obtained from the commercialized electrochemiluminescent method. PMID:24560371

  18. Viral cystatin evolution and three-dimensional structure modelling: A case of directional selection acting on a viral protein involved in a host-parasitoid interaction

    PubMed Central

    Serbielle, Céline; Chowdhury, Shafinaz; Pichon, Samuel; Dupas, Stéphane; Lesobre, Jérôme; Purisima, Enrico O; Drezen, Jean-Michel; Huguet, Elisabeth

    2008-01-01

    Background In pathogens, certain genes encoding proteins that directly interact with host defences coevolve with their host and are subject to positive selection. In the lepidopteran host-wasp parasitoid system, one of the most original strategies developed by the wasps to defeat host defences is the injection of a symbiotic polydnavirus at the same time as the wasp eggs. The virus is essential for wasp parasitism success since viral gene expression alters the immune system and development of the host. As a wasp mutualist symbiont, the virus is expected to exhibit a reduction in genome complexity and evolve under wasp phyletic constraints. However, as a lepidopteran host pathogenic symbiont, the virus is likely undergoing strong selective pressures for the acquisition of new functions by gene acquisition or duplication. To understand the constraints imposed by this particular system on virus evolution, we studied a polydnavirus gene family encoding cyteine protease inhibitors of the cystatin superfamily. Results We show that cystatins are the first bracovirus genes proven to be subject to strong positive selection within a host-parasitoid system. A generated three-dimensional model of Cotesia congregata bracovirus cystatin 1 provides a powerful framework to position positively selected residues and reveal that they are concentrated in the vicinity of actives sites which interact with cysteine proteases directly. In addition, phylogenetic analyses reveal two different cystatin forms which evolved under different selective constraints and are characterized by independent adaptive duplication events. Conclusion Positive selection acts to maintain cystatin gene duplications and induces directional divergence presumably to ensure the presence of efficient and adapted cystatin forms. Directional selection has acted on key cystatin active sites, suggesting that cystatins coevolve with their host target. We can strongly suggest that cystatins constitute major virulence

  19. The role of minerals in the thermal alteration of organic matter. IV - Generation of n-alkanes, acyclic isoprenoids, and alkenes in laboratory experiments

    NASA Technical Reports Server (NTRS)

    Huizinga, Bradley J.; Tannenbaum, Eli; Kaplan, Isaac R.

    1987-01-01

    The effect of common sedimentary minerals (illite, Na-montmorillonite, or calcite) under different water concentrations on the generation and release of n-alkanes, acyclic isoprenoids, and select alkenes from oil-prone kerogens was investigated. Matrices containing Green River Formation kerogen or Monterey Formation kerogen, alone or in the presence of minerals, were heated at 200 or 300 C for periods of up to 1000 hours, and the pyrolysis products were analyzed. The influence of the first two clay minerals was found to be critically dependent on the water content. Under the dry pyrolysis conditions, both minerals significantly reduced alkene formation; the C12+ n-alkanes and acyclic isoprenoids were mostly destroyed by montmorillonite, but underwent only minor alteration with illite. Under hydrous conditions (mineral/water of 2/1), the effects of both minerals were substantially reduced. Calcite had no significant effect on the thermal evolution of the hydrocarbons.

  20. Three-dimensional carbon- and binder-free nickel nanowire arrays as a high-performance and low-cost anode for direct hydrogen peroxide fuel cell

    NASA Astrophysics Data System (ADS)

    Ye, Ke; Guo, Fen; Gao, Yinyi; Zhang, Dongming; Cheng, Kui; Zhang, Wenping; Wang, Guiling; Cao, Dianxue

    2015-12-01

    A novel three-dimensional carbon- and binder-free nickel nanowire arrays (Ni NAs) electrode is successfully fabricated by a facile galvanostatic electrodeposition method using polycarbonate membrane as the template. The Ni NAs electrode achieves a oxidation current density (divided by the electroactive surface areas of Ni) of 25.1 mA cm-2 in 4 mol L-1 KOH and 0.9 mol L-1 H2O2 at 0.2 V (vs. Ag/AgCl) accompanied with a desirable stability, which is significantly higher than the catalytic activity of H2O2 electro-oxidation achieved previously with precious metals as catalysts. The impressive electrocatalytic performance is largely attributed to the superior 3D open structure and high electronic conductivity, which ensures the high utilization of Ni surfaces and makes the electrode have higher electrochemical activity. The apparent activation energy of H2O2 electro-oxidation on the Ni NAs catalyst is 13.59 kJ mol-1. A direct peroxide-peroxide fuel cell using the Ni NAs as anode exhibits a peak power density of 48.7 mW cm-2 at 20 °C. The electrode displays a great promise as the anode of direct peroxide-peroxide fuel cell due to its low cost, high activity and stability.

  1. Direct momentum-resolved observation of one-dimensional confinement of externally doped electrons within a single subnanometer-scale wire.

    PubMed

    Song, Inkyung; Oh, Dong-Hwa; Shin, Ha-Chul; Ahn, Sung-Joon; Moon, Youngkwon; Woo, Sun-Hee; Choi, Hyoung Joon; Park, Chong-Yun; Ahn, Joung Real

    2015-01-14

    Cutting-edge research in the band engineering of nanowires at the ultimate fine scale is related to the minimum scale of nanowire-based devices. The fundamental issue at the subnanometer scale is whether angle-resolved photoemission spectroscopy (ARPES) can be used to directly measure the momentum-resolved electronic structure of a single wire because of the difficulty associated with assembling single wire into an ordered array for such measurements. Here, we demonstrated that the one-dimensional (1D) confinement of electrons, which are transferred from external dopants, within a single subnanometer-scale wire (subnanowire) could be directly measured using ARPES. Convincing evidence of 1D electron confinement was obtained using two different gold subnanowires with characteristic single metallic bands that were alternately and spontaneously ordered on a stepped silicon template, Si(553). Noble metal atoms were adsorbed at room temperature onto the gold subnanowires while the overall structure of the wires was maintained. Only one type of gold subnanowire could be controlled using external noble metal dopants without transforming the metallic band of the other type of gold subnanowires. This result was confirmed by scanning tunnelling microscopy experiments and first-principles calculations. The selective control clearly showed that externally doped electrons could be confined within a single gold subnanowire. This experimental evidence was used to further investigate the effects of the disorder induced by external dopants on a single subnanowire using ARPES. PMID:25539134

  2. Quantitative measurements of one-dimensional OH absolute concentration profiles in a methane/air flat flame by bi-directional laser-induced fluorescence

    NASA Astrophysics Data System (ADS)

    Yu, Xin; Yang, Zhen; Peng, Jiang-Bo; Zhang, Lei; Ma, Yu-Fei; Yang, Chao-Bo; Li, Xiao-Hui; Sun, Rui

    2015-11-01

    The one-dimensional (1D) spatial distributions of OH absolute concentration in methane/air laminar premixed flat flame under different equivalence ratios at atmospheric pressure are investigated by using bi-directional laser-induced fluorescence (LIF) detection scheme combined with the direct absorption spectroscopy. The effective peak absorption cross section and the average temperature at a height of 2 mm above the burner are obtained by exciting absorption on the Q1(8) rotational line in the A2Σ+ (ʋ‧ = 0) ← X2Π (ʋ″ = 0) at 309.240 nm. The measured values are 1.86×10-15 cm2 and 1719 K, respectively. Spatial filtering and frequency filtering methods of reducing noise are used to deal with the experimental data, and the smoothing effects are also compared using the two methods. The spatial distribution regularities of OH concentration are obtained with the equivalence ratios ranging from 0.8 to 1.3. The spatial resolution of the measured result is 84 μm. Finally, a comparison is made between the experimental result of this paper and other relevant study results. Project supported by the National Key Scientific Instrument and Equipment Development Projects of China (Grant No. 2012YQ040164), the National Natural Science Foundation of China (Grant Nos. 61275127 and 91441130), the China Postdoctoral Science Foundation (Grant No. 2014M560262), and the Postdoctoral Fellowship in Heilongjiang Province, China (Grant No. LBH-Z14074).

  3. A direct comparison of a depth-dependent Radiation stress formulation and a Vortex force formulation within a three-dimensional coastal ocean model

    NASA Astrophysics Data System (ADS)

    Moghimi, Saeed; Klingbeil, Knut; Gräwe, Ulf; Burchard, Hans

    2013-10-01

    In this study a model system consisting of the three-dimensional General Estuarine Transport Model (GETM) and the third generation wind wave model SWAN was developed. Both models were coupled in two-way mode. The effects of waves were included into the ocean model by implementing the depth-dependent Radiation stress formulation (RS) of Mellor (2011a) and the Vortex force formulation (VF) presented by Bennis et al. (2011). Thus, the developed model system offers a direct comparison of these two formulations. The enhancement of the vertical eddy viscosity due to the energy transfer by white capping and breaking waves was taken into account by means of injecting turbulent kinetic energy at the surface. Wave-current interaction inside the bottom boundary layer was considered as well. The implementation of both wave-averaged formulations was validated against three flume experiments. One of these experiments with long period surface waves (swell), had not been evaluated before. The validation showed the capability of the model system to reproduce the three-dimensional interaction of waves and currents. For the flume test cases the wave-induced water level changes (wave set-up and set-down) and the corresponding depth-integrated wave-averaged velocities were similar for RS and VF. Both formulations produced comparable velocity profiles for short period waves. However, for large period waves, VF overestimated the wave set-down near the main breaking points and RS showed artificial offshore-directed transport at the surface where wave shoaling was taking place. Finally the validated model system was applied to a realistic barred beach scenario. For RS and VF the resulting velocity profiles were similar after being significantly improved by a roller evolution method. Both wave-averaged formulations generally provided similar results, but some shortcomings were revealed. Although VF partly showed significant deviations from the measurements, its results were still physically

  4. Phenylalanine Ammonia-Lyase-Catalyzed Deamination of an Acyclic Amino Acid: Enzyme Mechanistic Studies Aided by a Novel Microreactor Filled with Magnetic Nanoparticles.

    PubMed

    Weiser, Diána; Bencze, László Csaba; Bánóczi, Gergely; Ender, Ferenc; Kiss, Róbert; Kókai, Eszter; Szilágyi, András; Vértessy, Beáta G; Farkas, Ödön; Paizs, Csaba; Poppe, László

    2015-11-01

    Phenylalanine ammonia-lyase (PAL), found in many organisms, catalyzes the deamination of l-phenylalanine (Phe) to (E)-cinnamate by the aid of its MIO prosthetic group. By using PAL immobilized on magnetic nanoparticles and fixed in a microfluidic reactor with an in-line UV detector, we demonstrated that PAL can catalyze ammonia elimination from the acyclic propargylglycine (PG) to yield (E)-pent-2-ene-4-ynoate. This highlights new opportunities to extend MIO enzymes towards acyclic substrates. As PG is acyclic, its deamination cannot involve a Friedel-Crafts-type attack at an aromatic ring. The reversibility of the PAL reaction, demonstrated by the ammonia addition to (E)-pent-2-ene-4-ynoate yielding enantiopure l-PG, contradicts the proposed highly exothermic single-step mechanism. Computations with the QM/MM models of the N-MIO intermediates from L-PG and L-Phe in PAL show similar arrangements within the active site, thus supporting a mechanism via the N-MIO intermediate. PMID:26345352

  5. Analysis of cyclic and acyclic nicotinic cholinergic agonists using radioligand binding, single channel recording, and nuclear magnetic resonance spectroscopy.

    PubMed Central

    McGroddy, K A; Carter, A A; Tubbert, M M; Oswald, R E

    1993-01-01

    The relationship between the structure and function of a series of nicotinic cholinergic agonists has been studied using radioligand binding, single channel recording, and nuclear magnetic resonance spectroscopy. The cyclic compound 1,1-dimethyl-4-acetylpiperazinium iodide and its trifluoromethyl analogue (F3-PIP) interact with nicotinic acetylcholine receptors (nAChRs) from both Torpedo electroplaque and BC3H-1 cells at lower concentrations than the acyclic derivatives, N,N,N,N'-tetramethyl-N'-acetylethylenediamine iodide and its fluorinated analogue (F3-TED). The magnitude of the difference in potencies depends on the type of measurement. In binding experiments, the differences between the two classes of compounds depends mainly on the conditions of the experiment. In measurements of the initial interaction with the nAChR, the PIP compounds have an affinity approximately one order of magnitude higher than that of the TED compounds. Longer incubations indicated that the PIP compounds were able to induce a time-dependent shift in receptor affinity consistent with desensitization, whereas the TED compounds were unable to induce such a shift. The activation of single channel currents by the cyclic compounds occurs at concentrations approximately two orders of magnitude lower than for the acyclic compounds, but the TED compounds exhibit a larger degree of channel blockade than the PIP compounds. Previous work (McGroddy, K.A., and R.E. Oswald. 1992. Biophys. J. 64:314-324) has shown that the TED compounds can exist in two energetically distinct conformational states related by an isomerization of the amide bond. 19F nuclear magnetic resonance experiments suggest that the higher energy population of the TED compounds may interact preferentially with the ACh binding sites on the nAChRs and that a significant fraction of the difference between the initial affinity of the PIP and TED compounds may be accounted for by the predominance in solution of a conformational state

  6. Design and synthesis of novel 5-substituted acyclic pyrimidine nucleosides as potent and selective inhibitors of hepatitis B virus.

    PubMed

    Kumar, Rakesh; Nath, Mahendra; Tyrrell, D Lorne J

    2002-05-01

    A novel class of 5-substituted acyclic pyrimidine nucleosides, 1-[(2-hydroxyethoxy)methyl]-5-(1-azidovinyl)uracil (9a), 1-[(2-hydroxy-1-(hydroxymethyl)ethoxy)methyl]-5-(1-azidovinyl)uracil (9b), and 1-[4-hydroxy-3-(hydroxymethyl)-1-butyl]-5-(1-azidovinyl)uracil (9c), were synthesized by regiospecific addition of bromine azide to the 5-vinyl substituent of the respective 5-vinyluracils (2a-c) followed by treatment of the obtained 5-(1-azido-2-bromoethyl) compounds (3a-c) with t-BuOK, to affect the base-catalyzed elimination of HBr. Thermal decomposition of 9b and 9c at 110 degrees C in dioxane yielded corresponding 5-[2-(1-azirinyl)]uracil analogues (10b,c). The 5-(1-azidovinyl)uracil derivatives 9a-c were found to exhibit potent and selective in vitro anti-HBV activity against duck hepatitis B virus (DHBV) infected primary duck hepatocytes at low concentrations (EC(50) = 0.01-0.1 microg/mL range). The most active anti-DHBV agent (9c), possessing a [4-hydroxy-3-(hydroxymethyl)-1-butyl] substituent at N-1, exhibited an activity (EC(50) of 0.01-0.05 microg/mL) comparable to that of reference compound (-)-beta-L-2',3'-dideoxy-3'-thiacytidine (3-TC) (EC(50) = 0.01-0.05 microg/mL). In contrast, related 5-[2-(1-azirinyl)]uracil analogues (10b,c) were devoid of anti-DHBV activity, indicating that an acyclic side chain at C-5 position of the pyrimidine ring is essential for anti-HBV activity. The pyrimidine nucleosides (9a-c, 10b,c) exhibited no cytotoxic activity against a panel of 60 human cancer cell lines. All of the compounds investigated did not show any detectable toxicity to several stationary and proliferating host cell lines or to mitogen stimulated proliferating human T lymphocytes, up to the highest concentration tested. PMID:11985471

  7. Labeling Internalizing Anti-Epidermal Growth Factor Receptor Variant III Monoclonal Antibody with 177Lu: In Vitro Comparison of Acyclic and Macrocyclic Ligands

    PubMed Central

    Hens, Marc; Vaidyanathan, Ganesan; Welsh, Phil; Zalutsky, Michael R.

    2009-01-01

    Introduction The monoclonal antibody (mAb) L8A4, reactive with the epidermal growth factor receptor variant III (EGFRvIII), internalizes rapidly in glioma cells after receptor binding. Combining this tumor specific mAb with the low energy β-emitter 177Lu would be an attractive approach for brain tumor radioimmunotherapy, provided that trapping of the radionuclide in tumor cells after mAb intracellular processing could be maximized. Materials and Methods L8A4 mAb was labeled with 177Lu using the acyclic ligands [(R)-2-Amino-3-(4-isothiocyanatophenyl)propyl]-trans-(S,S)-cyclohexane-1,2-diamine-pentaacetic acid (CHX-A″-DTPA), 2-(4-Isothiocyanatobenzyl)-diethylenetriaminepenta-acetic acid (pSCN-Bz-DTPA), and 2-(4-Isothiocyanatobenzyl)-6-methyldiethylenetriaminepentaacetic acid (1B4M-DTPA) and the macrocyclic ligands S-2-(4-Isothiocyanatobenzyl)-1,4,7,10-tetraazacyclododecane-tetraacetic acid (C-DOTA) and α-(5-isothiocyanato-2-methoxyphenyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (MeO-DOTA). Paired-label internalization and cellular processing assays were performed on EGFRvIII-expressing U87.ΔEGFR glioma cells over 24-h to directly compare 177Lu-labeled L8A4 to L8A4 labeled with 125I using either Iodogen or N-succinimidyl 4-guanidinomethyl-3-[125I]iodobenzoate ([125I]SGMIB). In order to facilitate comparison of labeling methods, the primary parameter evaluated was the ratio of 177Lu to 125I activity retained in U87.ΔEGFR cells. Results All chelates demonstrated higher retention of internalized activity compared with mAb labeled using Iodogen, with 177Lu/125I ratios of >20 observed for the 3 DTPA chelates at 24 h. When compared to L8A4 labeled using SGMIB, except for MeO-DOTA, internalized activity for 125I was higher than 177Lu from 1–8 h with the opposite behavior observed thereafter. At 24 h, 177Lu/125I ratios were between 1.5 and 3, with higher values observed for the 3 DTPA chelates. Conclusions The nature of the chelate used to label this

  8. Synthesis, spectroscopic and biological activities studies of acyclic and macrocyclic mono and binuclear metal complexes containing a hard-soft Schiff base

    NASA Astrophysics Data System (ADS)

    Abou-Hussein, Azza A. A.; Linert, Wolfgang

    Mono- and bi-nuclear acyclic and macrocyclic complexes with hard-soft Schiff base, H2L, ligand derived from the reaction of 4,6-diacetylresorcinol and thiocabohydrazide, in the molar ratio 1:2 have been prepared. The H2L ligand reacts with Co(II), Ni(II), Cu(II), Zn(II), Mn(II) and UO2(VI) nitrates, VO(IV) sulfate and Ru(III) chloride to get acyclic binuclear complexes except for VO(IV) and Ru(III) which gave acyclic mono-nuclear complexes. Reaction of the acyclic mono-nuclear VO(IV) and Ru(III) complexes with 4,6-diacetylresorcinol afforded the corresponding macrocyclic mono-nuclear VO(IV) and Ru(IIII) complexes. Template reactions of the 4,6-diacetylresorcinol and thiocarbohydrazide with either VO(IV) or Ru(III) salts afforded the macrocyclic binuclear VO(IV) and Ru(III) complexes. The Schiff base, H2L, ligand acts as dibasic with two NSO-tridentate sites and can coordinate with two metal ions to form binuclear complexes after the deprotonation of the hydrogen atoms of the phenolic groups in all the complexes, except in the case of the acyclic mononuclear Ru(III) and VO(IV) complexes, where the Schiff base behaves as neutral tetradentate chelate with N2S2 donor atoms. The ligands and the metal complexes were characterized by elemental analysis, IR, UV-vis 1H-NMR, thermal gravimetric analysis (TGA) and ESR, as well as the measurements of conductivity and magnetic moments at room temperature. Electronic spectra and magnetic moments of the complexes indicate the geometries of the metal centers are either tetrahedral, square planar or octahedral. Kinetic and thermodynamic parameters were calculated using Coats-Redfern equation, for the different thermal decomposition steps of the complexes. The ligands and the metal complexes were screened for their antimicrobial activity against Staphylococcus aureus as Gram-positive bacteria, and Pseudomonas fluorescens as Gram-negative bacteria in addition to Fusarium oxysporum fungus. Most of the complexes exhibit mild

  9. Molecular mechanism by which acyclic retinoid induces nuclear localization of transglutaminase 2 in human hepatocellular carcinoma cells

    PubMed Central

    Shrestha, R; Tatsukawa, H; Shrestha, R; Ishibashi, N; Matsuura, T; Kagechika, H; Kose, S; Hitomi, K; Imamoto, N; Kojima, S

    2015-01-01

    Nuclear accumulation of transglutaminase 2 (TG2) is an important step in TG2-dependent cell death. However, the underlying molecular mechanisms for nuclear translocation of TG2 are still poorly understood. In this study, we demonstrated that acyclic retinoid (ACR) induced nuclear accumulation of TG2 in JHH-7 cells, a hepatocellular carcinoma (HCC) leading to their apoptosis. We further demonstrated molecular mechanism in nuclear-cytoplasmic trafficking of TG2 and an effect of ACR on it. We identified a novel 14-amino acid nuclear localization signal (NLS) 466AEKEETGMAMRIRV479 in the ‘C' domain and a leucine-rich nuclear export signal (NES) 657LHMGLHKL664 in the ‘D' domain that allowed TG2 to shuttle between the nuclear and cytosolic milieu. Increased nuclear import of GAPDH myc-HIS fused with the identified NLS was observed, confirming its nuclear import ability. Leptomycin B, an inhibitor of exportin-1 as well as point mutation of all leucine residues to glutamine residues in the NES of TG2 demolished its nuclear export. TG2 formed a trimeric complex with importin-α and importin-β independently from transamidase activity which strongly suggested the involvement of a NLS-based translocation of TG2 to the nucleus. ACR accelerated the formation of the trimeric complex and that may be at least in part responsible for enhanced nuclear localization of TG2 in HCC cells treated with ACR. PMID:26633708

  10. Intramolecular OH⋅⋅⋅Fluorine Hydrogen Bonding in Saturated, Acyclic Fluorohydrins: The γ-Fluoropropanol Motif

    PubMed Central

    Linclau, Bruno; Peron, Florent; Bogdan, Elena; Wells, Neil; Wang, Zhong; Compain, Guillaume; Fontenelle, Clement Q; Galland, Nicolas; LeQuestel, Jean-Yves; Graton, Jérôme

    2015-01-01

    Fluorination is commonly exercised in compound property optimization. However, the influence of fluorination on hydrogen-bond (HB) properties of adjacent functional groups, as well as the HB-accepting capacity of fluorine itself, is still not completely understood. Although the formation of OH⋅⋅⋅F intramolecular HBs (IMHBs) has been established for conformationally restricted fluorohydrins, such interaction in flexible compounds remained questionable. Herein is demonstrated for the first time—and in contrast to earlier reports—the occurrence of OH⋅⋅⋅F IMHBs in acyclic saturated γ-fluorohydrins, even for the parent 3-fluoropropan-1-ol. The relative stereochemistry is shown to have a crucial influence on the corresponding h1JOH⋅⋅⋅F values, as illustrated by syn- and anti-4-fluoropentan-2-ol (6.6 and 1.9Hz). The magnitude of OH⋅⋅⋅F IMHBs and their strong dependence on the overall molecular conformational profile, fluorination motif, and alkyl substitution level, is rationalized by quantum chemical calculations. For a given alkyl chain, the “rule of shielding” applies to OH⋅⋅⋅F IMHB energies. Surprisingly, the predicted OH⋅⋅⋅F IMHB energies are only moderately weaker than these of the corresponding OH⋅⋅⋅OMe. These results provide new insights of the impact of fluorination of aliphatic alcohols, with attractive perspectives for rational drug design. PMID:26494542

  11. H4octapa-Trastuzumab: Versatile Acyclic Chelate System for 111In and 177Lu Imaging and Therapy

    PubMed Central

    Price, Eric W.; Zeglis, Brian M.; Cawthray, Jacqueline F.; Ramogida, Caterina F.; Ramos, Nicholas

    2013-01-01

    A bifunctional derivative of the versatile acyclic chelator H4octapa, p-SCNBn- H4octapa, has been synthesized for the first time. The chelator was conjugated to the HER2/neu-targeting antibody trastuzumab and labeled in high radiochemical purity and specific activity with the radioisotopes 111In and 177Lu. The in vivo behavior of the resulting radioimmunoconjugates was investigated in mice bearing ovarian cancer xenografts and compared to analogous radioimmunoconjugates employing the ubiquitous chelator DOTA. The H4octapa-trastuzumab conjugates displayed faster radiolabeling kinetics with more reproducible yields under milder conditions (15 min, RT, ~94–95%) than those based on DOTA-trastuzumab (60 min, 37 °C ~50–88%). Further, antibody integrity was better preserved in the 111In- and 177Lu-octapatrastuzumab constructs, with immunoreactive fractions of 0.99 for each compared to 0.93–0.95 for 111In- and 177Lu-DOTA-trastuzumab. These results translated to improved in vivo biodistribution profiles and SPECT imaging results for 111In- and 177Lu-octapa-trastuzumab compared to 111In- and 177Lu-DOTA-trastuzumab, with increased tumor uptake and higher tumor-to-tissue activity ratios. PMID:23901833

  12. Enzymatic synthesis of acyclic nucleoside thiophosphonate diphosphates: effect of the α-phosphorus configuration on HIV-1 RT activity.

    PubMed

    Priet, Stéphane; Roux, Loic; Saez-Ayala, Magali; Ferron, François; Canard, Bruno; Alvarez, Karine

    2015-05-01

    The acyclic nucleosides thiophosphonates (9-[2-(thiophosphonomethoxy)ethyl]adenine (S-PMEA) and (R)-9-[2-(thiophosphonomethoxy)propyl]adenine (S-PMPA), exhibit antiviral activity against HIV-1, -2 and HBV. Their diphosphate forms S-PMEApp and S-PMPApp, synthesized as stereoisomeric mixture, are potent inhibitors of wild-type (WT) HIV-1 RT. Understanding HIV-1 RT stereoselectivity, however, awaits resolution of the diphosphate forms into defined stereoisomers. To this aim, thiophosphonate monophosphates S-PMEAp and S-PMPAp were synthesized and used in a stereocontrolled enzyme-catalyzed phosphoryl transfer reaction involving either nucleoside diphosphate kinase (NDPK) or creatine kinase (CK) to obtain thiophosphonate diphosphates as separated isomers. We then quantified substrate preference of recombinant WT HIV-1 RT toward pure stereoisomers using in vitro steady-state kinetic analyses. The crystal structure of a complex between Dictyostelium NDPK and S-PMPApp at 2.32Å allowed to determine the absolute configuration at the α-phosphorus atom in relation to the stereo-preference of studied enzymes. The RP isomer of S-PMPApp and S-PMEApp are the preferred substrate over SP for both NDPK and HIV-1 RT. PMID:25766862

  13. A mathematical model and computational framework for three-dimensional chondrocyte cell growth in a porous tissue scaffold placed inside a bi-directional flow perfusion bioreactor.

    PubMed

    Shakhawath Hossain, Md; Bergstrom, D J; Chen, X B

    2015-12-01

    The in vitro chondrocyte cell culture for cartilage tissue regeneration in a perfusion bioreactor is a complex process. Mathematical modeling and computational simulation can provide important insights into the culture process, which would be helpful for selecting culture conditions to improve the quality of the developed tissue constructs. However, simulation of the cell culture process is a challenging task due to the complicated interaction between the cells and local fluid flow and nutrient transport inside the complex porous scaffolds. In this study, a mathematical model and computational framework has been developed to simulate the three-dimensional (3D) cell growth in a porous scaffold placed inside a bi-directional flow perfusion bioreactor. The model was developed by taking into account the two-way coupling between the cell growth and local flow field and associated glucose concentration, and then used to perform a resolved-scale simulation based on the lattice Boltzmann method (LBM). The simulation predicts the local shear stress, glucose concentration, and 3D cell growth inside the porous scaffold for a period of 30 days of cell culture. The predicted cell growth rate was in good overall agreement with the experimental results available in the literature. This study demonstrates that the bi-directional flow perfusion culture system can enhance the homogeneity of the cell growth inside the scaffold. The model and computational framework developed is capable of providing significant insight into the culture process, thus providing a powerful tool for the design and optimization of the cell culture process. PMID:26061385

  14. Three-dimensional direct numerical simulation of a turbulent lifted hydrogen jet flame in a heated coflow: flame stabilization and structure

    SciTech Connect

    Chen, Jackie; Sankaran, Ramanan; Yoo, Chun S

    2009-01-01

    Direct numerical simulation (DNS) of the near field of a three-dimensional spatially developing turbulent lifted hydrogen jet flame in heated coflow is performed with a detailed mechanism to determine the stabilization mechanism and the flame structure. The DNS was performed at a jet Reynolds number of 11,000 with over 940 million grid points. The results show that auto-ignition in a fuel-lean mixture at the flame base is the main source of stabilization of the lifted jet flame. A chemical flux analysis shows the occurrence of near-isothermal chemical chain branching preceding thermal runaway upstream of the stabilization point, indicative of hydrogen auto-ignition in the second limit. The Damkoehler number and key intermediate-species behaviour near the leading edge of the lifted flame also verify that auto-ignition occurs at the flame base. At the lifted-flame base, it is found that heat release occurs predominantly through ignition in which the gradients of reactants are opposed. Downstream of the flame base, both rich-premixed and non-premixed flames develop and coexist with auto-ignition. In addition to auto-ignition, Lagrangian tracking of the flame base reveals the passage of large-scale flow structures and their correlation with the fluctuations of the flame base. In particular, the relative position of the flame base and the coherent flow structure induces a cyclic motion of the flame base in the transverse and axial directions about a mean lift-off height. This is confirmed by Lagrangian tracking of key scalars, heat release rate and velocity at the stabilization point.

  15. The Usefulness of Three-Dimensional Angiography with a Flat Panel Detector of Direct Conversion Type in a Transcatheter Arterial Chemoembolization Procedure for Hepatocellular Carcinoma: Initial Experience

    SciTech Connect

    Kakeda, Shingo Korogi, Yukunori; Hatakeyama, Yoshihisa; Ohnari, Norihiro; Oda, Nobuhiro; Nishino, Kazuyoshi; Miyamoto, Wataru

    2008-03-15

    The purpose of this study was to assess the usefulness of a three-dimensional (3D) angiography system using a flat panel detector of direct conversion type in treatments with subsegmental transcatheter arterial chemoembolization (TACE) for hepatocellular carcinomas (HCCs). Thirty-six consecutive patients who underwent hepatic angiography were prospectively examined. First, two radiologists evaluated the degree of visualization of the peripheral branches of the hepatic arteries on 3D digital subtraction angiography (DSA). Then the radiologists evaluated the visualization of tumor staining and feeding arteries in 25 patients (30 HCCs) who underwent subsegmental TACE. The two radiologists who performed the TACE assessed whether the additional information provided by 3D DSA was useful for treatments. In 34 (94.4%) of 36 patients, the subsegmental branches of the hepatic arteries were sufficiently visualized. The feeding arteries of HCCs were sufficiently visualized in 28 (93%) of 30 HCCs, whereas tumor stains were sufficiently visualized in 18 (60%). Maximum intensity projection images were significantly superior to volume recording images for visualization of the tumor staining and feeding arteries of HCCs. In 27 (90%) of 30 HCCs, 3D DSA provided additional useful information for subsegmental TACE. The high-quality 3D DSA with flat panel detector angiography system provided a precise vascular road map, which was useful for performing subsegmental TACE .of HCCs.

  16. A stock market forecasting model combining two-directional two-dimensional principal component analysis and radial basis function neural network.

    PubMed

    Guo, Zhiqiang; Wang, Huaiqing; Yang, Jie; Miller, David J

    2015-01-01

    In this paper, we propose and implement a hybrid model combining two-directional two-dimensional principal component analysis ((2D)2PCA) and a Radial Basis Function Neural Network (RBFNN) to forecast stock market behavior. First, 36 stock market technical variables are selected as the input features, and a sliding window is used to obtain the input data of the model. Next, (2D)2PCA is utilized to reduce the dimension of the data and extract its intrinsic features. Finally, an RBFNN accepts the data processed by (2D)2PCA to forecast the next day's stock price or movement. The proposed model is used on the Shanghai stock market index, and the experiments show that the model achieves a good level of fitness. The proposed model is then compared with one that uses the traditional dimension reduction method principal component analysis (PCA) and independent component analysis (ICA). The empirical results show that the proposed model outperforms the PCA-based model, as well as alternative models based on ICA and on the multilayer perceptron. PMID:25849483

  17. Direct observation of one-dimensional plasmon coupling in metallic nanofibers prepared by evaporation-induced self-assembly with DNA.

    PubMed

    Nakao, Hidenobu; Tokonami, Shiho; Hamada, Taichi; Shiigi, Hiroshi; Nagaoka, Tsutomu; Iwata, Futoshi; Takeda, Yoshihiko

    2012-11-01

    Here we report a simple method for the preparation of highly aligned metallic nanofibers with anisotropic aggregates of silver nanoparticles (AgNPs) as well as a direct observation of localized plasmon field and its coupling in the prepared metallic nanofibers. Metallic nanofibers of several tens of nanometers wide and millimeters long were prepared. The preparation method, which is based on the process of evaporation-induced self-assembly with DNA and drying front movement, eliminates the need for lithography and an external field, and it is fast, cheap and easy. Dark-field scattering spectroscopy was used to study the strong plasmon coupling of AgNPs in the metallic nanofibers. We observed strong near-field coupling between neighboring nanoparticles, which results in red-shifted multipolar plasmon modes that are highly polarized along the fiber axis. The polarization dependence of plasmon coupling in the metallic nanofibers observed in this study was satisfactorily explained by the morphology of the metallic nanofibers, which was characterized by atomic force microscopy (AFM) and scanning electron microscopy (SEM). Furthermore, Raman spectra imaging of the metallic nanofibers revealed the existence of intense hot spots localized along their axes, which played a significant role in the intensity of surface enhanced Raman scattering (SERS) signals from DNA bases in the metallic nanofiber. Our results demonstrate the use of evaporation-induced self-assembly with DNA as a straightforward method to produce one-dimensional coupling of localized plasmons with a longer scale. PMID:23011186

  18. Direct observation of one-dimensional plasmon coupling in metallic nanofibers prepared by evaporation-induced self-assembly with DNA

    NASA Astrophysics Data System (ADS)

    Nakao, Hidenobu; Tokonami, Shiho; Hamada, Taichi; Shiigi, Hiroshi; Nagaoka, Tsutomu; Iwata, Futoshi; Takeda, Yoshihiko

    2012-10-01

    Here we report a simple method for the preparation of highly aligned metallic nanofibers with anisotropic aggregates of silver nanoparticles (AgNPs) as well as a direct observation of localized plasmon field and its coupling in the prepared metallic nanofibers. Metallic nanofibers of several tens of nanometers wide and millimeters long were prepared. The preparation method, which is based on the process of evaporation-induced self-assembly with DNA and drying front movement, eliminates the need for lithography and an external field, and it is fast, cheap and easy. Dark-field scattering spectroscopy was used to study the strong plasmon coupling of AgNPs in the metallic nanofibers. We observed strong near-field coupling between neighboring nanoparticles, which results in red-shifted multipolar plasmon modes that are highly polarized along the fiber axis. The polarization dependence of plasmon coupling in the metallic nanofibers observed in this study was satisfactorily explained by the morphology of the metallic nanofibers, which was characterized by atomic force microscopy (AFM) and scanning electron microscopy (SEM). Furthermore, Raman spectra imaging of the metallic nanofibers revealed the existence of intense hot spots localized along their axes, which played a significant role in the intensity of surface enhanced Raman scattering (SERS) signals from DNA bases in the metallic nanofiber. Our results demonstrate the use of evaporation-induced self-assembly with DNA as a straightforward method to produce one-dimensional coupling of localized plasmons with a longer scale.

  19. A novel biosensor based on the direct electrochemistry of horseradish peroxidase immobilized in the three-dimensional flower-like Bi2WO6 microspheres.

    PubMed

    Liu, Hui; Guo, Kai; Duan, Congyue; Chen, Xianjin; Zhu, Zhenfeng

    2016-07-01

    Three-dimensional flower-like Bi2WO6 microspheres (3D-Bi2WO6 MSs) have been synthesized through a simple hydrothermal method. The morphology and structure of 3D-Bi2WO6 MSs were characterized by scanning electron microscopy (SEM) and X-ray diffraction (XRD). The 3D-Bi2WO6 MSs subsequently were used to immobilize horseradish peroxidase (HRP) and fabricate a mediator-free biosensor for the detection of H2O2. Spectroscopic and electrochemical results reveal that 3D-Bi2WO6 MSs constitute an excellent immobilization matrix with biocompatibility for enzymes. Meanwhile, due to unique morphology of the flower-like microspheres, the direct electron transfer of HRP is facilitated and the prepared biosensors display good performances for the detection of H2O2 with a wide linear range, including two linear sections: 0.5-100μM (R(2)=0.9983) and 100-250μM (R(2)=0.9981), as well as an extremely low method detection limit of 0.18μM. PMID:27127050

  20. Hybrid One-Dimensional Nanostructures: One-Pot Preparation of Nanoparticle Chains via Directed Self-Assembly of in Situ Synthesized Discrete Au Nanoparticles

    PubMed Central

    2012-01-01

    The fabrication of well-defined one-dimensional (1D) arrays is becoming a challenge for the development of the next generation of advanced nanodevices. Herein, a simple concept is proposed for the in situ synthesis and self-assembly of gold nanoparticles (AuNPs) into 1D arrays via a one-step process. The results demonstrated the formation of nanoparticle chains (NPC) with high aspect ratio based on discrete Au nanoparticles stabilized by short thiol ligands. A model was proposed to explain the self-assembly based on the investigation of several parameters such as pH, solvent, temperature, and nature of the ligand on the 1D assembly formation. Hydrogen bonding was identified as a key factor to direct the self-assembly of the hybrid organic–inorganic nanomaterials into the well-defined 1D nanostructures. This simple and cost-effective concept could potentially be extended to the fabrication of a variety of hybrid 1D nanostructures possessing unique physical properties leading to a wide range of applications including catalysis, bionanotechnology, nanoelectronics, and photonics. PMID:22432448

  1. Fabrication of three-dimensional millimeter-height structures using direct ultraviolet lithography on liquid-state photoresist for simple and fast manufacturing

    NASA Astrophysics Data System (ADS)

    Kim, Jungkwun; Yoon, Yong-Kyu

    2015-07-01

    A rapid three-dimensional (3-D) ultraviolet (UV) lithography process for the fabrication of millimeter-tall high aspect ratio complex structures is presented. The liquid-state negative-tone photosensitive polyurethane, LF55GN, has been directly photopatterned using multidirectionally projected UV light for 3-D micropattern formation. The proposed lithographic scheme enabled us to overcome the maximum height obtained with a photopatternable epoxy, SU8, which has been conventionally most commonly used for the fabrication of tall and high aspect ratio microstructures. Also, the fabrication process time has been significantly reduced by eliminating photoresist-baking steps. Computer-controlled multidirectional UV lithography has been employed to fabricate 3-D structures, where the UV-exposure substrate is dynamically tilt-rotating during UV exposure to create various 3-D ray traces in the polyurethane layer. LF55GN has been characterized to provide feasible fabrication conditions for the multidirectional UV lithography. Very tall structures including a 6-mm tall triangular slab and a 5-mm tall hexablaze have been successfully fabricated. A 4.5-mm tall air-lifted polymer-core bowtie monopole antenna, which is the tallest monopole structure fabricated by photolithography and subsequent metallization, has been successfully demonstrated. The antenna shows a resonant radiation frequency of 12.34 GHz, a return loss of 36 dB, and a 10 dB bandwidth of 7%.

  2. Two-dimensional two-phase mass transport model for methanol and water crossover in air-breathing direct methanol fuel cells

    NASA Astrophysics Data System (ADS)

    Ye, Dingding; Zhu, Xun; Liao, Qiang; Li, Jun; Fu, Qian

    A two-dimensional two-phase mass transport model has been developed to predict methanol and water crossover in a semi-passive direct methanol fuel cell with an air-breathing cathode. The mass transport in the catalyst layer and the discontinuity in liquid saturation at the interface between the diffusion layer and catalyst layer are particularly considered. The modeling results agree well with the experimental data of a home-assembled cell. Further studies on the typical two-phase flow and mass transport distributions including species, pressure and liquid saturation in the membrane electrode assembly are investigated. Finally, the methanol crossover flux, the net water transport coefficient, the water crossover flux, and the total water flux at the cathode as well as their contributors are predicted with the present model. The numerical results indicate that diffusion predominates the methanol crossover at low current densities, while electro-osmosis is the dominator at high current densities. The total water flux at the cathode is originated primarily from the water generated by the oxidation reaction of the permeated methanol at low current densities, while the water crossover flux is the main source of the total water flux at high current densities.

  3. A Stock Market Forecasting Model Combining Two-Directional Two-Dimensional Principal Component Analysis and Radial Basis Function Neural Network

    PubMed Central

    Guo, Zhiqiang; Wang, Huaiqing; Yang, Jie; Miller, David J.

    2015-01-01

    In this paper, we propose and implement a hybrid model combining two-directional two-dimensional principal component analysis ((2D)2PCA) and a Radial Basis Function Neural Network (RBFNN) to forecast stock market behavior. First, 36 stock market technical variables are selected as the input features, and a sliding window is used to obtain the input data of the model. Next, (2D)2PCA is utilized to reduce the dimension of the data and extract its intrinsic features. Finally, an RBFNN accepts the data processed by (2D)2PCA to forecast the next day's stock price or movement. The proposed model is used on the Shanghai stock market index, and the experiments show that the model achieves a good level of fitness. The proposed model is then compared with one that uses the traditional dimension reduction method principal component analysis (PCA) and independent component analysis (ICA). The empirical results show that the proposed model outperforms the PCA-based model, as well as alternative models based on ICA and on the multilayer perceptron. PMID:25849483

  4. In vivo micro-computed tomography allows direct three-dimensional quantification of both bone formation and bone resorption parameters using time-lapsed imaging.

    PubMed

    Schulte, Friederike A; Lambers, Floor M; Kuhn, Gisela; Müller, Ralph

    2011-03-01

    Bone is a living tissue able to adapt its structure to external influences such as altered mechanical loading. This adaptation process is governed by two distinct cell types: bone-forming cells called osteoblasts and bone-resorbing cells called osteoclasts. It is therefore of particular interest to have quantitative access to the outcomes of bone formation and resorption separately. This article presents a non-invasive three-dimensional technique to directly extract bone formation and resorption parameters from time-lapsed in vivo micro-computed tomography scans. This includes parameters such as Mineralizing Surface (MS), Mineral Apposition Rate (MAR), and Bone Formation Rate (BFR), which were defined in accordance to the current nomenclature of dynamic histomorphometry. Due to the time-lapsed and non-destructive nature of in vivo micro-computed tomography, not only formation but also resorption can now be assessed quantitatively and time-dependent parameters Eroded Surface (ES) as well as newly defined indices Mineral Resorption Rate (MRR) and Bone Resorption Rate (BRR) are introduced. For validation purposes, dynamic formation parameters were compared to the traditional quantitative measures of dynamic histomorphometry, where MAR correlated with R = 0.68 and MS with R = 0.78 (p < 0.05). Reproducibility was assessed in 8 samples that were scanned 5 times and errors ranged from 0.9% (MRR) to 6.6% (BRR). Furthermore, the new parameters were applied to a murine in vivo loading model. A comparison of directly extracted parameters between formation and resorption within each animal revealed that in the control group, i.e., during normal remodeling, MAR was significantly lower than MRR (p < 0.01), whereas MS compared to ES was significantly higher (p < 0.0001). This implies that normal remodeling seems to take place by many small formation packets and few but large resorption volumes. After 4 weeks of mechanical loading, newly extracted trabecular BFR and MS were

  5. Metal ion binding by a G-2 poly(ethylene imine) dendrimer. Ion-directed self-assembling of hierarchical mono- and two-dimensional nanostructured materials.

    PubMed

    Bazzicalupi, Carla; Bianchi, Antonio; Giorgi, Claudia; Gratteri, Paola; Mariani, Palma; Valtancoli, Barbara

    2013-02-18

    The second-generation poly(ethylene imine) dendrimer (L), based on ammonia as the initiating core molecule, forms stable metal complexes in aqueous solution. Speciation of the complex species formed and determination of the relevant stability constants were performed by means of potentiometric titration in 0.10 M NMe(4)Cl solution at 298.1 K. The interaction of L with Ni(2+), Cu(2+), Zn(2+), Cd(2+), and Pb(2+) gives rise to stable complexes with 1:1 (all metal ions), 2:1 (Ni(2+), Cu(2+), Zn(2+), Cd(2+)), 3:2 (Ni(2+), Zn(2+), Cd(2+)), and 3:1 (Cu(2+)) metal/ligand stoichiometries. The crystal structures of [Ni(3)L(2)](ClO(4))(6)·6H(2)O (1) and [Cu(3)LCl(OH)(0.5)(NO(3))(0.5)ox]Cl(1.5)(NO(3))(0.5)·5.5H(2)O (2) were solved by X-ray diffraction. The Ni(3)L(2)(6+) complex cation in 1, existing in solution as a very stable species, shows two dendrimer units linked together by a bridging Ni(2+) ion. In 2, the Cu(3)L(6+) complex cation, which also exists in solution as a very stable species, gives rise, via bridging coordination of oxalate anions, to nanostructured polymeric chains that self-organize into two-dimensional sheets. In both structures, the hierarchical mono- and two-dimensional aggregation is triggered by the action of ionic species behaving either as functional groups on the dendrimer surface (metal ions) or as the glue (metal ions, oxalate) that sticks together dendrimer units. Two association routes, developing via coordinative forces, guide the directional aggregation of dendrimer units: (a) aggregation via metal ions shared by the surfaces of contiguous dendrimer molecules and (b) aggregation via chelating ligands bridging surface metal ions pertaining to contiguous dendrimer molecules. Such aggregation modes provide coordinative routes for the self-assembly of novel families of nanostructured functional materials. PMID:23387293

  6. Chemoselective and stereoselective lithium carbenoid mediated cyclopropanation of acyclic allylic alcohols.

    PubMed

    Durán-Peña, M J; Flores-Giubi, M E; Botubol-Ares, J M; Harwood, L M; Collado, I G; Macías-Sánchez, A J; Hernández-Galán, R

    2016-03-01

    The reaction of geraniol with different lithium carbenoids generated from n-BuLi and the corresponding dihaloalkane has been evaluated. The reaction occurs in a chemo and stereoselective manner, which is consistent with a directing effect from the oxygen of the allylic moiety. Furthermore, a set of polyenes containing allylic hydroxyl or ether groups were chemoselectively and stereoselectively converted into the corresponding gem-dimethylcyclopropanes in one single step in moderate to good yields mediated by a lithium carbenoid generated in situ by the reaction of n-BuLi and 2,2-dibromopropane. PMID:26846582

  7. Acyclic Cucurbit[n]uril-Type Molecular Containers: Influence of Linker Length on Their Function as Solubilizing Agents.

    PubMed

    Sigwalt, David; Moncelet, Damien; Falcinelli, Shane; Mandadapu, Vijaybabu; Zavalij, Peter Y; Day, Anthony; Briken, Volker; Isaacs, Lyle

    2016-05-01

    Two acyclic cucurbit[n]uril (CB[n])-type molecular containers that differ in the length of the (CH2 )n linker (M2C2: n=2, M2C4: n=4) between their aromatic sidewalls and sulfonate solubilizing groups were prepared and studied. The inherent solubilities of M2C2 (68 mm) and M2C4 (196 mm) are higher than the analogue with a (CH2 )3 linker (M2, 14 mm) studied previously. (1) H NMR dilution experiments show that M2C2 and M2C4 do not self-associate in water, which enables their use as solubilizing excipients. We used phase solubility diagrams (PSDs) to compare the solubilizing capacities of M2, M2C2, M2C4, hydroxypropyl-β-cyclodextrin (HP-β-CD), and sulfobutylether-β-cyclodextrin (SBE-β-CD) toward 15 insoluble drugs. We found that M2C2 and M2C4-as gauged by the slope of their PSDs-are less potent solubilizing agents than M2. However, the higher inherent solubility of M2C2 allows higher concentrations of drug to be formulated using M2C2 than with M2 in several cases. The solubilizing ability of M2C2 and SBE-β-CD were similar in many cases, with Krel values averaging 23 and 12, respectively, relative to HP-β-CD. In vitro cytotoxicity and in vivo maximum tolerated dose studies document the biocompatibility of M2C2. PMID:26990780

  8. Acyclic Identification of Aptamers for Human alpha-Thrombin Using Over-Represented Libraries and Deep Sequencing

    PubMed Central

    Kupakuwana, Gillian V.; Crill, James E.; McPike, Mark P.; Borer, Philip N.

    2011-01-01

    Background Aptamers are oligonucleotides that bind proteins and other targets with high affinity and selectivity. Twenty years ago elements of natural selection were adapted to in vitro selection in order to distinguish aptamers among randomized sequence libraries. The primary bottleneck in traditional aptamer discovery is multiple cycles of in vitro evolution. Methodology/Principal Findings We show that over-representation of sequences in aptamer libraries and deep sequencing enables acyclic identification of aptamers. We demonstrated this by isolating a known family of aptamers for human α-thrombin. Aptamers were found within a library containing an average of 56,000 copies of each possible randomized 15mer segment. The high affinity sequences were counted many times above the background in 2–6 million reads. Clustering analysis of sequences with more than 10 counts distinguished two sequence motifs with candidates at high abundance. Motif I contained the previously observed consensus 15mer, Thb1 (46,000 counts), and related variants with mostly G/T substitutions; secondary analysis showed that affinity for thrombin correlated with abundance (Kd = 12 nM for Thb1). The signal-to-noise ratio for this experiment was roughly 10,000∶1 for Thb1. Motif II was unrelated to Thb1 with the leading candidate (29,000 counts) being a novel aptamer against hexose sugars in the storage and elution buffers for Concanavilin A (Kd = 0.5 µM for α-methyl-mannoside); ConA was used to immobilize α-thrombin. Conclusions/Significance Over-representation together with deep sequencing can dramatically shorten the discovery process, distinguish aptamers having a wide range of affinity for the target, allow an exhaustive search of the sequence space within a simplified library, reduce the quantity of the target required, eliminate cycling artifacts, and should allow multiplexing of sequencing experiments and targets. PMID:21625587

  9. New acyclic bis phenylpropanoid and neolignans, from Myristica fragrans Houtt., exhibiting PARP-1 and NF-κB inhibitory effects.

    PubMed

    Muñoz Acuña, Ulyana; Carcache, Peter J Blanco; Matthew, Susan; Carcache de Blanco, Esperanza J

    2016-07-01

    The bioassay-guided fractionation of the aril of Myristica fragrans (mace spice) yielded five phenolic compounds, one new acyclic bis phenylpropanoid (1) and four previously known phenolic compounds: compounds (1) (S) 1-(3,4,5-trimethoxyphenyl)-2-(3-methoxy-5-(prop-1-yl) phenyl)-propan-1-ol, (2) benzenemethanol; α-[1-[2,6-dimethoxy-4-(2-propen-1-yl)phenoxy]ethyl]-3,4-dimethoxy-1-acetate, (3) odoratisol A, phenol, 4-[(2S,3S)-2,3-dihydro-7-methoxy-3-methyl-5-(1E)-1-propenyl-2-benzofuranyl]-2,6-dimethoxy, (4) 1,3-benzodioxate-5-methanol,α-[1-[2,6-dimethoxy-4-(2-propenyl)phenoxy]ethyl]-acetate, (5) licarin C; benzofuran,2,3-dihydro-7-methoxy-3-methyl-5-(1E)-1-yl-2-(3,4,5-trimethoxyphenyl). An NMR tube Mosher ester reaction was used in an approach to characterize and determine the assignment of the absolute configuration of the new isolated chiral alcohol (1). The PARP-1 inhibitory activity was evaluated for compound (1) (IC50=3.04μM), compound (2) (IC50=0.001μM), compound (4) (IC50=22.07μM) and compound (5) (IC50=3.11μM). Furthermore, the isolated secondary metabolites were tested for NF-κB and K-Ras inhibitory activities. When tested in the p65 assay, compounds (2) and (4) displayed potent NF-κB inhibition (IC50=1.5 nM and 3.4nM, respectively). PMID:26920294

  10. Subsurface evaluation of the west parking lot and landfill 3 areas of Air Force Plant 4, Fort Worth, Texas, using two-dimensional direct-current resistivity profiling

    USGS Publications Warehouse

    Braun, Christopher L.; Jones, Sonya A.

    2002-01-01

    During September 1999, the U.S. Geological Survey made 10 two-dimensional direct-current resistivity profile surveys in the west parking lot and landfill 3 areas of Air Force Plant 4, Fort Worth, Texas, to identify subsurface areas of anomalously high or low resistivity that could indicate potential contamination, contaminant pathways, or anthropogenic structures. Six of the 10 surveys (transects) were in the west parking lot. Each of the inverted sections of these transects had anomalously high resistivities in the terrace alluvium/fill (the surficial subsurface layer) that probably were caused by highly resistive fill material. In addition, each of these transects had anomalously low resistivities in the Walnut Formation (a bedrock layer immediately beneath the alluvium/fill) that could have been caused by saturation of fractures within the Walnut Formation. A high-resistivity anomaly in the central part of the study area probably is associated with pea gravel fill used in construction of a French drain. Another high resistivity anomaly in the west parking lot, slightly southeast of the French drain, could be caused by dense nonaqueous-phase liquid in the Walnut Formation. The inverted sections of the four transects in the landfill 3 area tended to have slightly higher resistivities in both the alluvium/fill and the Walnut Formation than the transects in the west parking lot. The higher resistivities in the alluvium/fill could have been caused by drier conditions in grassy areas relative to conditions in the west parking lot. Higher resistivities in parts of the Walnut Formation also could be a function of drier conditions or variations in the lithology of the Walnut Formation. In addition to the 10 vertical sections, four horizontal sections at 2-meteraltitude intervals show generally increasing resistivity with decreasing altitude that most likely results from the increased influence of the Walnut Formation, which has a higher resistivity than the terrace

  11. Three-dimensional structure, binding, and spectroscopic characteristics of the monoclonal antibody 43.1 directed to the carboxyphenyl moiety of fluorescein.

    PubMed

    Gayda, Susan; Longenecker, Kenton L; Judge, Russell A; Swift, Kerry M; Manoj, Sharmila; Linthicum, D Scott; Tetin, Sergey Y

    2016-04-01

    Unlike other known anti-fluorescein antibodies, the monoclonal antibody 43.1 is directed toward the fluorescein's carboxyl phenyl moiety. It demonstrates a very high affinity (KD ∼ 70 pM) and a fast association rate (kon ∼ 2 × 10(7) M(-1 ) s(-1) ). The three-dimensional structure of the Fab 43.1-fluorescein complex was resolved at 2.4 Å resolution. The antibody binding site is exclusively assembled by the CDR loops. It is comprised of a 14 Å groove-shaped entrance leading to a 9 Å by 7 Å binding pocket. The highly polar binding pocket complementary encloses the fluorescein's carboxyphenyl moiety and tightly fixes it by multiple hydrogen bonds. The fluorescein's xanthene ring is embedded in the more hydrophobic groove and stacked between the side chains of Tyr37L and of Arg99H providing conditions for an excited state electron transfer process. In comparison to fluorescein, the absorption spectrum of the complex in the visible region is shifted to the "red" by 23 nm. The complex demonstrates a very weak fluorescence (Φc  = 0.0018) with two short lifetime components: 0.03 ns (47%) and 0.8 ns (24%), which reflects a 99.8% fluorescein emission quenching effect upon complex formation. The antibody 43.1 binds fluorescein with remarkable affinity, fast association rate, and strongly quenches its emission. Therefore, it may present a practical interest in applications such as molecular sensors and switches. PMID:26756394

  12. Selective carbon-carbon bond cleavage for the stereoselective synthesis of acyclic systems.

    PubMed

    Marek, Ilan; Masarwa, Ahmad; Delaye, Pierre-Olivier; Leibeling, Markus

    2015-01-01

    Most of the efforts of organic chemists have been directed to the development of creative strategies to build carbon-carbon and carbon-heteroatom bonds in a predictable and efficient manner. In this Review, we show an alternative approach where challenging molecular skeletons could be prepared through selective cleavage of carbon-carbon bonds. We demonstrate that it has the potential to be a general principle in organic synthesis for the regio-, diastereo-, and even enantioselective preparation of adducts despite the fact that C-C single bonds are among the least reactive functional groups. The development of such strategies may have an impact on synthesis design and can ultimately lead to new selective and efficient processes for the utilization of simple hydrocarbons. PMID:25266824

  13. Selective electrochemical discrimination between dopamine and phenethylamine-derived psychotropic drugs using electrodes modified with an acyclic receptor containing two terminal 3-alkoxy-5-nitroindazole rings.

    PubMed

    Doménech, Antonio; Navarro, Pilar; Arán, Vicente J; Muro, Beatriz; Montoya, Noemí; García-España, Enrique

    2010-06-01

    Electrochemical discrimination between dopamine and psychotropic drugs which have in common a skeletal structure of phenethylamine, can be obtained using acyclic receptors L(1) and L(2), containing two terminal 3-alkoxy-5-nitroindazole rings. Upon attachment to graphite electrodes, L(1) and L(2) exhibit a well-defined, essentially reversible solid state electrochemistry in contact with aqueous media, based on electrolyte-assisted reduction processes involving successive cation and anion insertion/binding. As a result, a distinctive, essentially Nernstian electrochemical response is obtained for phenethylammonium ions of methamphetamine (METH), p-methoxyamphetamine (PMA), amphetamine (AMPH), mescaline (MES), homoveratrylamine (HOM), phenethylamine (PEA) and dopamine (DA) in aqueous media. PMID:20407681

  14. Flexible Acyclic Polyol-Chloride Anion Complexes and Their Characterization by Photoelectron Spectroscopy and Variable Temperature Binding Constant Determinations.

    PubMed

    Shokri, Alireza; Wang, Xue-Bin; Wang, Yanping; O'Doherty, George A; Kass, Steven R

    2016-03-17

    Flexible acyclic alcohols with one to five hydroxyl groups were bound to a chloride anion and these complexes were interrogated by negative ion photoelectron spectroscopy and companion density functional theory computations. The resulting vertical detachment energies are reproduced on average to 0.10 eV by M06-2X/aug-cc-pVTZ predictions and range from 4.45-5.96 eV. These values are 0.84-2.35 eV larger than the adiabatic detachment energy of Cl(-) as a result of the larger hydrogen bond networks in the bigger polyols. Adiabatic detachment energies of the alcohol-Cl(-) clusters are more difficult to determine both experimentally and computationally. This is due to the large geometry changes that occur upon photodetachment and the large bond dissociation energy of H-Cl which enables the resulting chlorine atom to abstract a hydrogen from any of the methylene (CH2) or methine (CH) positions. Both ionic and nonionic hydrogen bonds (i.e., OH···Cl(-) and OH···OH···Cl(-)) form in the larger polyols complexes and are found to be energetically comparable. Subtle structural differences, consequently can lead to the formation of different types of hydrogen bonds, and maximizing the ionic ones is not always preferred. Solution equilibrium binding constants between the alcohols and tetrabutylammonium chloride (TBACl) in acetonitrile at -24.2, +22.0, and +53.6 °C were also determined. The free energies of association are nearly identical for all of the substrates (i.e., ΔG° = -2.8 ± 0.7 kcal mol(-1)). Compensating enthalpy and entropy values reveal, contrary to expectation and the intrinsic gas-phase preferences, that the bigger systems with more hydroxyl groups are entropically favored and enthalpically disfavored relative to the smaller species. This suggests that more solvent molecules are released upon binding TBACl to alcohols with more hydroxyl groups and is consistent with the measured negative heat capacities. These quantities increase with molecular

  15. Induction of ovulation in the acyclic postpartum ewe following continuous, low-dose subcutaneous infusion of GnRH.

    PubMed

    Fray, M D; Lamming, G E; Haresign, W

    1995-04-15

    Pituitary and ovarian responses to subcutaneous infusion of GnRH were investigated in acyclic, lactating Mule ewes during the breeding season. Thirty postpartum ewes were split into 3 equal groups; Group G received GnRH (250 ng/h) for 96 h; Group P + G was primed with progestagen for 10 d then received GnRH (250 ng/h) for 96 h; and Group P received progestagen priming and saline vehicle only. The infusions were delivered via osmotic minipumps inserted 26.6 +/- 0.45 d post partum (Day 0 of the study). Blood samples were collected for LH analysis every 15 min from 12 h before until 8 h after minipump insertion, then every 2 h for a further 112 h. Daily blood samples were collected for progesterone analysis on Days 1 to 10 following minipump insertion, then every third day for a further 25 d. In addition, the reproductive tract was examined by laparoscopy on Day -5 and Day +7 and estrous behavior was monitored between Day -4 and Day +7. Progestagen priming suppressed (P < 0.05) plasma LH levels (0.27 +/- 0.03 vs 0.46 +/- 0.06 ng/ml) during the preinfusion period, but the GnRH-induced LH release was similar for Group G and Group P + G. The LH surge began significantly (P < 0.05) earlier (32.0 +/- 3.0 vs 56.3 +/- 4.1 h) and was of greater magnitude (32.15 +/- 3.56 vs 18.84 +/- 4.13 ng/ml) in the unprimed than the primed ewes. None of the ewes infused with saline produced a preovulatory LH surge. The GnRH infusion induced ovulation in 10/10 unprimed and 7/9 progestagen-primed ewes, with no significant difference in ovulation rate (1.78 +/- 0.15 and 1.33 +/- 0.21, respectively). Ovulation was followed by normal luteal function in 4/10 Group-G ewes, while the remaining 6 ewes had short luteal phases. In contrast, each of the 7 Group-P + G ewes that ovulated secreted progesterone for at least 10 d, although elevated plasma progesterone levels were maintained in 3/7 unmated ewes for >35 d. Throughout the study only 2 ewes (both from Group P + G) displayed estrus. These data

  16. Ovarian acyclicity in zoo African elephants (Loxodonta africana) is associated with high body condition scores and elevated serum insulin and leptin.

    PubMed

    Morfeld, Kari A; Brown, Janine L

    2016-04-01

    The purpose of the present study was to determine whether excessive body fat and altered metabolic hormone concentrations in the circulation were associated with ovarian acyclicity in the world's largest land mammal, the African elephant. We compared body condition, glucose, insulin and leptin concentrations and the glucose-to-insulin ratio (G:I) between cycling (n=23; normal 14-16 week cycles based on serum progestagens for at least 2 years) and non-cycling (n=23; consistent baseline progestagen concentrations for at least 2 years) females. A validated body condition score (BCS) index (five-point scale; 1=thinnest, 5=fattest) was used to assess the degree of fatness of the study elephants. The mean BCS of non-cycling elephants was higher than that of their cycling counterparts. There were differences in concentrations of serum metabolic biomarkers, with non-cycling elephants in the BCS 5 category having higher leptin and insulin concentrations and a lower G:I ratio than cycling BCS 5 females. Using 'non-cycling' as the outcome variable in regression models, high BCS was a strong predictor of a non-cycling status. This study provides the first evidence that ovarian acyclicity in zoo African elephants is associated with body condition indicative of obesity, as well as elevated, perturbed biomarkers of metabolic status. PMID:25375263

  17. Acyclic Cucurbit[n]uril-type Molecular Containers: Influence of Aromatic Walls on their Function as Solubilizing Excipients for Insoluble Drugs

    PubMed Central

    2015-01-01

    We studied the influence of the aromatic sidewalls on the ability of acyclic CB[n]-type molecular containers (1a–1e) to act as solubilizing agents for 19 insoluble drugs including the developmental anticancer agent PBS-1086. All five containers exhibit good water solubility and weak self-association (Ks ≤ 624 M–1). We constructed phase solubility diagrams to extract Krel and Ka values for the container·drug complexes. The acyclic CB[n]-type containers generally display significantly higher Ka values than HP-β-CD toward drugs. Containers 1a–1e bind the steroidal ring system and aromatic moieties of insoluble drugs. Compound 1b displays highest affinity toward most of the drugs studied. Containers 1a and 1b are broadly applicable and can be used to formulate a wider variety of insoluble drugs than was previously possible with cyclodextrin technology. For drugs that are solubilized by both HP-β-CD and 1a–1e, lower concentrations of 1a–1e are required to achieve identical [drug]. PMID:25369565

  18. Design and Implementation of a Self-Directed Stereochemistry Lesson Using Embedded Virtual Three-Dimensional Images in a Portable Document Format

    ERIC Educational Resources Information Center

    Cody, Jeremy A.; Craig, Paul A.; Loudermilk, Adam D.; Yacci, Paul M.; Frisco, Sarah L.; Milillo, Jennifer R.

    2012-01-01

    A novel stereochemistry lesson was prepared that incorporated both handheld molecular models and embedded virtual three-dimensional (3D) images. The images are fully interactive and eye-catching for the students; methods for preparing 3D molecular images in Adobe Acrobat are included. The lesson was designed and implemented to showcase the 3D…

  19. A new method for predicting the heats of combustion of polynitro arene, polynitro heteroarene, acyclic and cyclic nitramine, nitrate ester and nitroaliphatic compounds.

    PubMed

    Keshavarz, Mohammad Hossein; Saatluo, Bahman Ebrahimi; Hassanzadeh, Ali

    2011-01-30

    A new method is presented for estimating the gross and net heats of combustion of important classes of energetic compounds including polynitro arene, polynitro heteroarene, acyclic and cyclic nitramine, nitrate ester and nitroaliphatic compounds. Elemental compositions as well as the presence of some specific polar groups and molecular fragments are important parameters in the new model. The novel method can be easily used for any complex organic compounds with at least one nitro, nitramine or nitrate functional groups by which the predictions of their heats of combustion by the available methods are inaccurate or difficult. The predicted results show that this method gives reliable predictions of heats of combustion with respect to group additivity method and computed values based on atom-type electrotopological state indices for several energetic compounds where the models can be applied. PMID:21035254

  20. Difurazano[3,4-b:3',4'-f]-4,5-diaza-1,8-dioxacyclododecine and an acyclic analogue.

    PubMed

    Averkiev, Boris B; Timofeeva, Tatiana V; Sheremetev, Aleksey B; Shatunova, Elena V; Antipin, Mikhail Yu

    2004-07-01

    The novel title furazan-containing macrocycle (systematic name: 6,9,14,17-tetraoxa-2,3,5,7,16,18-hexaazatricyclo[13.3.0.0(4,8)]octadeca-4,7,15,18-tetraene), C8H10N6O4, (I), is the first macrocycle where the furazan rings are connected via a hydrazine group. In spite of the strain in the 12-membered macrocycle of (I), the geometry of the furazan fragment is the same in (I) and in its acyclic analogue 1,8-bis(5-aminofurazan-4-yloxy)-3,6-dioxaoctane, C10H16N6O6, (II). In both compounds, the participation of the furazan rings in intermolecular hydrogen bonding equalizes the N-O bonds within the furazan rings, in contrast with rings which do not participate in such interactions. PMID:15237185

  1. An integrated QSAR-PBK/D modelling approach for predicting detoxification and DNA adduct formation of 18 acyclic food-borne α,β-unsaturated aldehydes

    SciTech Connect

    Kiwamoto, R. Spenkelink, A.; Rietjens, I.M.C.M.; Punt, A.

    2015-01-01

    Acyclic α,β-unsaturated aldehydes present in food raise a concern because the α,β-unsaturated aldehyde moiety is considered a structural alert for genotoxicity. However, controversy remains on whether in vivo at realistic dietary exposure DNA adduct formation is significant. The aim of the present study was to develop physiologically based kinetic/dynamic (PBK/D) models to examine dose-dependent detoxification and DNA adduct formation of a group of 18 food-borne acyclic α,β-unsaturated aldehydes without 2- or 3-alkylation, and with no more than one conjugated double bond. Parameters for the PBK/D models were obtained using quantitative structure–activity relationships (QSARs) defined with a training set of six selected aldehydes. Using the QSARs, PBK/D models for the other 12 aldehydes were defined. Results revealed that DNA adduct formation in the liver increases with decreasing bulkiness of the molecule especially due to less efficient detoxification. 2-Propenal (acrolein) was identified to induce the highest DNA adduct levels. At realistic dietary intake, the predicted DNA adduct levels for all aldehydes were two orders of magnitude lower than endogenous background levels observed in disease free human liver, suggesting that for all 18 aldehydes DNA adduct formation is negligible at the relevant levels of dietary intake. The present study provides a proof of principle for the use of QSAR-based PBK/D modelling to facilitate group evaluations and read-across in risk assessment. - Highlights: • Physiologically based in silico models were made for 18 α,β-unsaturated aldehydes. • Kinetic parameters were determined by in vitro incubations and a QSAR approach. • DNA adduct formation was negligible at levels relevant for dietary intake. • The use of QSAR-based PBK/D modelling facilitates group evaluations and read-across.

  2. Data analysis results of the second sea trial of ambient noise imaging with acoustic lens in 2014: Two-dimensional target images affected by direction of field of view and spatial noise distribution

    NASA Astrophysics Data System (ADS)

    Mori, Kazuyoshi; Ogasawara, Hanako; Tsuchiya, Takenobu; Endoh, Nobuyuki

    2016-07-01

    An aspherical lens with an aperture diameter of 1.0 m has been designed and fabricated to develop a prototype system for ambient noise imaging (ANI). A sea trial of silent target detection using the prototype ANI system was conducted under only natural ocean ambient noise at Uchiura Bay in November 2010. It was verified that targets are successfully detected under natural ocean ambient noise, mainly generated by snapping shrimps. Recently, we have built a second prototype ANI system using an acoustic lens with a two-dimensional (2D) receiver array with 127 elements corresponding to a field of view (FOV) spanning 15° horizontally by 9° vertically. In this study, we investigated the effects of the direction of the FOV and the spatial noise distribution on the 2D target image obtained by ANI. Here, the noise sources in front of the target are called “front light”, and those at the rear of the target are called “back light”. The second sea trial was conducted to image targets arranged in the FOV and measure the positions of noise sources at Uchiura Bay in November 10–14, 2014. For front light, the pixel values in the on-target directions were greater than those in other directions owing to the dominant target scatterings. Reversely, for back light, the pixel values in the on-target directions were lower than those in other directions owing to the dominant direct noises such as “silhouette”.

  3. Direct Visualization of Surface Phase of Oxygen Molecules Physisorbed on the Ag(111) Surface: A Two-dimensional Quantum Spin System

    NASA Astrophysics Data System (ADS)

    Yamamoto, Shunji; Yoshida, Yasuo; Imada, Hiroshi; Kim, Yousoo; Hasegawa, Yukio

    Oxygen molecule (O2) is one of the smallest molecular magnets with an S = 1 quantum spin. This makes O2 attractive as a building block of low-dimensional (LD) quantum spin systems. Recently, the existence of a spin in physisorbed O2 on Ag(111) was confirmed by the ortho-para conversion of molecular hydrogen. Therefore, there is a strong need for STM-based techniques with single-molecule resolution in order to verify the potential of the O2/Ag(111) for LD quantum spin systems. Here we report the real-space observation of oxygen molecules physisorbed on an Ag(111) surface by using low-temperature scanning tunneling microscopy and spectroscopy. A well-ordered O2 structure was observed, and the lattice was distorted from an isosceles triangular lattice. The distortion can be explained by the competition between the magnetic and elastic instabilities of the O2 lattice. In differential tunneling conductance spectra, we found no feature of the Kondo resonance at 4.7 K; in contrast, the physisorbed O2 on Ag(110) showed a clear Kondo resonance at 18 K. Based on these observations, we discuss the realization of an S = 1 two-dimensional antiferromagnetic quantum spin system.

  4. Volume growth initiated by point-to-point ultraviolet-laser direct writing in hybrid solgel glass for three-dimensional microfabrication.

    PubMed

    Yu, Weixing; Yuan, X C

    2003-09-01

    Volume-growth solgel glass acting as self-developing material is used for three-dimensional (3D) fabrication of micro-optical elements. The solgel glass is exposed to a focused laser beam (lambda = 325 nm), and surface corrugation is created as a result of surface expansion in the exposed area. The profile depth is related to the laser beam intensity, which is controlled by an acousto-optic modulator, which makes it possible to fabricate 3D structures in the material. Preliminary results show that the controllable volume-growth effect will be of considerable use for production of 3D micro-optical elements with excellent surface smoothness in solgel materials. PMID:12956383

  5. Two-dimensional diffusion in Li0.7NbS2 as directly probed by frequency-dependent 7Li NMR

    NASA Astrophysics Data System (ADS)

    Epp, V.; Nakhal, S.; Lerch, M.; Wilkening, M.

    2013-05-01

    Li ion diffusion in layer-structured Li0.7NbS2 has been complementary investigated by nuclear magnetic resonance (NMR) spectroscopy from an atomic scale point of view. In the present case, 7Li NMR spin-lattice relaxation (SLR) rates R1ρ probed in the rotating frame of reference proved very informative in characterizing the Li self-diffusion process in the van der Waals gap between the NbS2 layers. While temperature-variable SLRρ measurements were used to determine dynamic parameters such as jump rates (τ-1) and the activation energy (Ea), frequency-dependent measurements were used to specify the dimensionality of the diffusion process. In particular, the effect of annealing, i.e., the distribution of Li ions between the layers, on overall Li dynamics has been studied. When plotted in an Arrhenius diagram, the R1ρ rates of an annealed sample, which were recorded at a locking frequency of 20 kHz, pass through a diffusion-induced relaxation peak whose maximum shows up at 320 K. Employing an appropriate diffusion model and appropriately accounting for a non-diffusive background relaxation, a Li jump rate τ-1(300 K) ≈ 1.3 × 105 s-1 and an activation energy Ea of 0.43(2) eV can be deduced. Most importantly, in the high-T limit of the diffusion-induced rate peak, i.e., when ω1τ ≪ 1 holds, the rates follow a logarithmic frequency dependence. This points to a diffusion process of low dimensionality and is in good agreement with predictions of relaxation models developed for 2D diffusion.

  6. A one-dimensional shock capturing finite element method and multi-dimensional generalizations

    NASA Technical Reports Server (NTRS)

    Hughes, T. J. R.; Mallet, M.; Zanutta, R.; Taki, Y.; Tezduyar, T. E.

    1985-01-01

    Multi-dimensional generalizations of a one-dimensional finite element shock capturing scheme are proposed. A scalar model problem is used to emphasize that 'preferred directions' are important in multi-dimensional applications. Schemes are developed for the two-dimensional Euler equations. One, based upon characteristics, employs the Mach lines and streamlines as preferred directions.

  7. Nanochannel-Directed Growth of One-Dimensional Multi-Segment Heterojunctions of Metallic Au1-xGex and Semiconducting Ge

    SciTech Connect

    Li, Xiangdong; Meng, Guowen; Qin, Shengyong; Xu, Qiaoling; Chu, Zhaoqin; Zhu, Xiaoguang; Kong, Mingguang; Li, An-Ping

    2012-01-01

    We report on the synthesis of multi-segment nanowire (NW) junctions of Au{sub 1-x}Ge{sub x} and Ge inside the nanochannels of porous anodic aluminum oxide template. The one-dimensional heterostructures are grown with a low-temperature chemical vapor deposition process, assisted by electrodeposited Au nanowires (AuNWs). The Au-catalyzed vapor-liquid-solid growth process occurs simultaneously in multiple locations along the nanochannel, which leads to multi-segment Au{sub 1-x}Ge{sub x}/Ge heterojunctions. The structures of the as-grown hybrid NWs, analyzed by using transmission electron microscopy and energy-dispersive X-ray spectroscopy elemental mapping, show clear compositional modulation with variable modulation period and controllable junction numbers. Remarkably, both GeNW and Au{sub 1-x}Ge{sub x}NW segments are single crystalline with abrupt interfaces and good crystallographic coherences. The electronic and transport properties of individual NW junctions are measured by using a multi-probe scanning tunneling microscope, which confirms the semiconducting nature of Ge segments and the metallic behavior of Au{sub 1-x}Ge{sub x} segments, respectively. The high yield of multiple segment NW junctions of a metal-semiconductor can facilitate the applications in nanoelectronics and optoelectronics that harness multiple functionalities of heterointerfaces.

  8. Glycosaminoglycan-Mimetic Signals Direct the Osteo/Chondrogenic Differentiation of Mesenchymal Stem Cells in a Three-Dimensional Peptide Nanofiber Extracellular Matrix Mimetic Environment.

    PubMed

    Arslan, Elif; Guler, Mustafa O; Tekinay, Ayse B

    2016-04-11

    Recent efforts in bioactive scaffold development focus strongly on the elucidation of complex cellular responses through the use of synthetic systems. Designing synthetic extracellular matrix (ECM) materials must be based on understanding of cellular behaviors upon interaction with natural and artificial scaffolds. Hence, due to their ability to mimic both the biochemical and mechanical properties of the native tissue environment, supramolecular assemblies of bioactive peptide nanostructures are especially promising for development of bioactive ECM-mimetic scaffolds. In this study, we used glycosaminoglycan (GAG) mimetic peptide nanofiber gel as a three-dimensional (3D) platform to investigate how cell lineage commitment is altered by external factors. We observed that amount of fetal bovine serum (FBS) presented in the cell media had synergistic effects on the ability of GAG-mimetic nanofiber gel to mediate the differentiation of mesenchymal stem cells into osteogenic and chondrogenic lineages. In particular, lower FBS concentration in the culture medium was observed to enhance osteogenic differentiation while higher amount FBS promotes chondrogenic differentiation in tandem with the effects of the GAG-mimetic 3D peptide nanofiber network, even in the absence of externally administered growth factors. We therefore demonstrate that mesenchymal stem cell differentiation can be specifically controlled by the combined influence of growth medium components and a 3D peptide nanofiber environment. PMID:26840042

  9. Recent research directions in Fribourg: nuclear dynamics in resonances revealed by 2-dimensional EEL spectra, electron collisions with ionic liquids and electronic excitation of pyrimidine

    NASA Astrophysics Data System (ADS)

    Allan, Michael; Regeta, Khrystyna; Gorfinkiel, Jimena D.; Mašín, Zdeněk; Grimme, Stefan; Bannwarth, Christoph

    2016-05-01

    The article briefly reviews three subjects recently investigated in Fribourg: (i) electron collisions with surfaces of ionic liquids, (ii) two-dimensional (2D) electron energy loss spectra and (iii) resonances in absolute cross sections for electronic excitation of unsaturated compounds. Electron energy loss spectra of four ionic liquids revealed a number of excited states, including triplet states. A solution of a dye in an ionic liquid showed an energy-loss band of the solute, but not in all ionic liquids. 2D spectra reveal state-to-state information (given resonance to given final state) and are shown to be an interesting means to gain insight into dynamics of nuclear motion in resonances. Absolute cross sections for pyrimidine are reported as a function of scattering angle and as a function of electron energy. They reveal resonant structure which was reproduced very nicely by R-matrix calculations. The calculation provided an assignment of the resonances which reveals common patterns in compounds containing double bonds.

  10. A comparison of the precision of three-dimensional images acquired by 2 digital intraoral scanners: effects of tooth irregularity and scanning direction

    PubMed Central

    Anh, Ji-won; Park, Ji-Man; Chun, Youn-Sic; Kim, Miae

    2016-01-01

    Objective The purpose of this study was to compare the precision of three-dimensional (3D) images acquired using iTero® (Align Technology Inc., San Jose, CA, USA) and Trios® (3Shape Dental Systems, Copenhagen, Denmark) digital intraoral scanners, and to evaluate the effects of the severity of tooth irregularities and scanning sequence on precision. Methods Dental arch models were fabricated with differing degrees of tooth irregularity and divided into 2 groups based on scanning sequence. To assess their precision, images were superimposed and an optimized superimposition algorithm was employed to measure any 3D deviation. The t-test, paired t-test, and one-way ANOVA were performed (p < 0.05) for statistical analysis. Results The iTero® and Trios® systems showed no statistically significant difference in precision among models with differing degrees of tooth irregularity. However, there were statistically significant differences in the precision of the 2 scanners when the starting points of scanning were different. The iTero® scanner (mean deviation, 29.84 ± 12.08 µm) proved to be less precise than the Trios® scanner (22.17 ± 4.47 µm). Conclusions The precision of 3D images differed according to the degree of tooth irregularity, scanning sequence, and scanner type. However, from a clinical standpoint, both scanners were highly accurate regardless of the degree of tooth irregularity. PMID:26877977

  11. Strong competition between ΘI I-loop-current order and d -wave charge order along the diagonal direction in a two-dimensional hot spot model

    NASA Astrophysics Data System (ADS)

    de Carvalho, Vanuildo S.; Kloss, Thomas; Montiel, Xavier; Freire, Hermann; Pépin, Catherine

    2015-08-01

    We study the fate of the so-called ΘI I-loop-current order that breaks both time-reversal and parity symmetries in a two-dimensional hot spot model with antiferromagnetically mediated interactions, using Fermi surfaces relevant to the phenomenology of the cuprate superconductors. We start from a three-band Emery model describing the hopping of holes in the CuO2 plane that includes two hopping parameters tp p and tp d, local onsite Coulomb interactions Ud and Up, and nearest-neighbor Vp d couplings between the fermions in the copper [Cu (3 dx2-y2) ] and oxygen [O (2 px) and O (2 py)] orbitals. By focusing on the lowest-energy band, we proceed to decouple the local interaction Ud of the Cu orbital in the spin channel using a Hubbard-Stratonovich transformation to arrive at the interacting part of the so-called spin-fermion model. We also decouple the nearest-neighbor interaction Vp d to introduce the order parameter of the ΘI I-loop-current order. In this way, we are able to construct a consistent mean-field theory that describes the strong competition between the composite order parameter made of a quadrupole-density wave and d -wave pairing fluctuations proposed in Efetov et al. [Nat. Phys. 9, 442 (2013), 10.1038/nphys2641] with the ΘI I-loop-current order parameter that is argued to be relevant for explaining important aspects of the physics of the pseudogap phase displayed in the underdoped cuprates.

  12. H2CHXdedpa and H4CHXoctapa-chiral acyclic chelating ligands for (67/68)Ga and (111)In radiopharmaceuticals.

    PubMed

    Ramogida, Caterina F; Cawthray, Jacqueline F; Boros, Eszter; Ferreira, Cara L; Patrick, Brian O; Adam, Michael J; Orvig, Chris

    2015-02-16

    The chiral acyclic ligands H2CHXdedpa (N4O2), H2CHXdedpa-bb (N4O2), and H4CHXoctapa (N4O4) (CHX = cyclohexyl/cyclohexane, H2dedpa = 1,2-[[6-carboxy-pyridin-2-yl]-methylamino]ethane, bb = N,N'-dibenzylated, H4octapa = N,N'-bis(6-carboxy-2-pyridylmethyl)-ethylenediamine-N,N'-diacetic acid) were synthesized, complexed with Ga(III) and/or In(III), and evaluated for their potential as chelating agents in radiopharmaceutical applications. The ligands were compared to the previously studied hexadentate H2dedpa and octadentate H4octapa ligands to determine the effect adding a chiral 1R,2R-trans-cyclohexane to replace the ethylenediamine backbone would have on metal complex stability and radiolabeling kinetics. It was found that [Ga(CHXdedpa)](+) showed very similar properties to those of [Ga(dedpa)](+), with only one isomer in solution observed by NMR spectroscopy, and minimal structural changes in the solid-state X-ray structure. Like [Ga(dedpa)](+), [Ga(CHXdedpa)](+) exhibited exceptionally high thermodynamic stability constants (log KML = 28.11(8)), and the chelate retained the ability to label (67)Ga quantitatively in 10 min at room temperature at ligand concentrations of 1 × 10(-5) M. In vitro kinetic inertness assays demonstrated the [(67)Ga(CHXdedpa)](+) complex to be more stable than [(67)Ga(dedpa)](+) in a human serum competition, with 90.5% and 77.8% of (67)Ga remaining chelate-bound after 2 h, respectively. Preliminary coordination studies of H4CHXoctapa with In(III) demonstrated [In(CHXoctapa)](-) to have an equivalently high thermodynamically stable constant as [In(octapa)](-), with log KML values of 27.16(9) and 26.76(14), respectively. The [(111)In(CHXoctapa)](-) complex showed exceptionally high in vitro kinetic inertness over 120 h in human serum, comparing well with previously reported [(111)In(octapa)](-) values, and an improved stability compared to the current industry "gold standards" 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA

  13. Reductive metalation of cyclic and acyclic pseudopeptidic bis-disulfides and back conversion of the resulting diamidato/dithiolato complexes to bis-disulfides.

    PubMed

    Desbenoît, Nicolas; Galardon, Erwan; Frapart, Yves; Tomas, Alain; Artaud, Isabelle

    2010-09-20

    Cyclic and acyclic pseudopeptidic bis-disulfides built on an o-phenylene diamine scaffold were prepared: (N(2)H(2)S(2))(2), 1a, N(2)H(2)(S-SCH(3))(2), 1b, and N(2)H(2)(S-StBu)(2), 1c. Reductive metalation of these disulfides with (PF(6))[Cu(CH(3)CN)(4)] in the presence of Et(4)NOH as a base, or with (Et(4)N)[Fe(SEt)(4)] and Et(4)NCl, yields the corresponding diamidato/dithiolato copper(III) or iron(III) complex, (Et(4)N)[Cu(N(2)S(2))], 2, or (Et(4)N)(2)[Fe(N(2)S(2))Cl], 5. These complexes display characteristics similar to those previously described in the literature. The mechanism of the metalation with copper has been investigated by X-band electron paramagnetic resonance (EPR) spectroscopy at 10 K. After metalation of the bis-disulfide 1c and deprotonation of the amide nitrogens, the reductive cleavage of the S-S bonds occurs by two one-electron transfers leading to the intermediate formation of a copper(II) complex and a thyil radical. Complexes 2 and 5 can be converted back to the cyclic bis-disulfide 1a with iodine in an 80% yield. Reaction of 5 with iodine in the presence of CH(3)S-SCH(3) affords a 1/1 mixture of the acyclic N(2)H(2)(S-SCH(3))(2) disulfide 1b and cyclic bis-disulfide 1a. From 2, the reaction was monitored by (1)H NMR and gives 1b as major product. While there is no reaction of 2 or 5 with tBuS-StBu and iodine, reaction with an excess of tBuSI affords quantitatively the di-tert-butyl disulfide 1c. To assess the role of the Cu(III) oxidation state, control experiments were carried out under strictly anaerobic conditions with the copper(II) complex, (Et(4)N)(2)[Cu(N(2)S(2))], 6. Complex 6 is oxidized to 2 by iodine, and it reacts with an excess of tBuSI, yielding 1c as final product, through the intermediate formation of complex 2. PMID:20718487

  14. Three-dimensional visual modeling and virtual view synthesis: A synergetic, range-space stereo approach using omni-directional images

    NASA Astrophysics Data System (ADS)

    Ng, Kim Chai

    Robust depth extraction, which involves matching using passive visual cues, is a long-standing difficult problem, even when multiple cameras are employed. When both depth and color are recovered simultaneously, the difficulty level increases further. This dissertation simultaneously estimates depth and color of objects in the scene at arbitrary viewpoint by efficient range-space based multiple wide-baseline omni-directional stereo. Success will enable multiple different concurrent virtual walkthroughs being generated in a distributed manner. The research addresses five major challenges of wide- baseline omni-directional stereo: scaling effect, foreshortening effect, window distortion, specular highlight, and occlusion. Our algorithms perform searching, matching, and rendering in the range space starting from the specified viewpoint. When searching in the range space, it enables arbitrary disparate multi- camera configurations and it helps overcome the first three challenges. Cameras are selected through robust statistics to lessen the effects of specular highlight and occlusion. Area-based color match and area-based color-edge match are performed in parallel for every virtual pixel. Attributes derived from both matching curves are combined to detect a more confident voxel. A confident voxel is the one with the global color match and the global edge match at the same 3D location. These more confident matches compete to influence their 8-neighbors' 3D and color. Low confident matching regions (with high matching error), where either occlusion or specular highlight occurs, are marked and filled at the end. The experiments include three sets of indoor scenes and one set of outdoor scene. The lighting condition and the structure of each scene are different and so is the nature of their texture. Various camera configurations are set up with different number of cameras, baselines, and viewpoints. Selected estimated voxels are compared with their true geometry. Results of

  15. Assisted extraction of the energy level spacings and lever arms in direct current bias measurements of one-dimensional quantum wires, using an image recognition routine

    SciTech Connect

    Lesage, A. A. J. Smith, L. W. Griffiths, J. P.; Farrer, I.; Jones, G. A. C.; Ritchie, D. A.; Smith, C. G.; Al-Taie, H.; Kelly, M. J.; See, P.

    2015-01-07

    A multiplexer technique is used to individually measure an array of 256 split gates on a single GaAs/AlGaAs heterostructure. This results in the generation of large volumes of data, which requires the development of automated data analysis routines. An algorithm is developed to find the spacing between discrete energy levels, which form due to transverse confinement from the split gate. The lever arm, which relates split gate voltage to energy, is also found from the measured data. This reduces the time spent on the analysis. Comparison with estimates obtained visually shows that the algorithm returns reliable results for subband spacing of split gates measured at 1.4 K. The routine is also used to assess direct current bias spectroscopy measurements at lower temperatures (50 mK). This technique is versatile and can be extended to other types of measurements. For example, it is used to extract the magnetic field at which Zeeman-split 1D subbands cross one another.

  16. Support for a three-dimensional structure predicting a Cys-Glu-Lys catalytic triad for Pseudomonas aeruginosa amidase comes from site-directed mutagenesis and mutations altering substrate specificity.

    PubMed

    Novo, Carlos; Farnaud, Sebastien; Tata, Renée; Clemente, Alda; Brown, Paul R

    2002-08-01

    The aliphatic amidase from Pseudomonas aeruginosa belongs to the nitrilase superfamily, and Cys(166) is the nucleophile of the catalytic mechanism. A model of amidase was built by comparative modelling using the crystal structure of the worm nitrilase-fragile histidine triad fusion protein (NitFhit; Protein Data Bank accession number 1EMS) as a template. The amidase model predicted a catalytic triad (Cys-Glu-Lys) situated at the bottom of a pocket and identical with the presumptive catalytic triad of NitFhit. Three-dimensional models for other amidases belonging to the nitrilase superfamily also predicted Cys-Glu-Lys catalytic triads. Support for the structure for the P. aeruginosa amidase came from site-direct mutagenesis and from the locations of amino acid residues that altered substrate specificity or binding when mutated. PMID:11955282

  17. Support for a three-dimensional structure predicting a Cys-Glu-Lys catalytic triad for Pseudomonas aeruginosa amidase comes from site-directed mutagenesis and mutations altering substrate specificity.

    PubMed Central

    Novo, Carlos; Farnaud, Sebastien; Tata, Renée; Clemente, Alda; Brown, Paul R

    2002-01-01

    The aliphatic amidase from Pseudomonas aeruginosa belongs to the nitrilase superfamily, and Cys(166) is the nucleophile of the catalytic mechanism. A model of amidase was built by comparative modelling using the crystal structure of the worm nitrilase-fragile histidine triad fusion protein (NitFhit; Protein Data Bank accession number 1EMS) as a template. The amidase model predicted a catalytic triad (Cys-Glu-Lys) situated at the bottom of a pocket and identical with the presumptive catalytic triad of NitFhit. Three-dimensional models for other amidases belonging to the nitrilase superfamily also predicted Cys-Glu-Lys catalytic triads. Support for the structure for the P. aeruginosa amidase came from site-direct mutagenesis and from the locations of amino acid residues that altered substrate specificity or binding when mutated. PMID:11955282

  18. Apparatus for direct counting of beta-rays from two-dimensional protein gels: measurement of changes in protein synthesis due to changes in density of Chinese hamster ovary cells.

    PubMed Central

    Anderson, H L; Puck, T T; Shera, E B

    1987-01-01

    A method is described for scanning two-dimensional protein gels that utilizes direct counting of beta-rays instead of autoradiography. The methodology is compared with autoradiographic results and data are presented demonstrating changed patterns of protein synthesis accompanying changes in cell density. The method is rapid and permits identification of differences in protein abundance of approximately 10% for a substantial fraction of the more prominent proteins. A modulation effect of greater than 5 standard deviations is shown to occur for an appreciable number of the proteins that accompany the inhibition of cell growth due to contact inhibition. The method promises application to a variety of biochemical and genetic problems designed to delineate changes in protein synthesis accompanying changes in genome, molecular environment, history, and state of differentiation of the cell populations studied. Images PMID:3474622

  19. Synthesis, spectroscopic studies and inhibitory activity against bactria and fungi of acyclic and macrocyclic transition metal complexes containing a triamine coumarine Schiff base ligand

    NASA Astrophysics Data System (ADS)

    Abou-Hussein, A. A.; Linert, Wolfgang

    2015-04-01

    Two series of new mono and binuclear complexes with a Schiff base ligand derived from the condensation of 3-acetylcoumarine and diethylenetriamine, in the molar ratio 2:1 have been prepared. The ligand was characterized by elemental analysis, IR, UV-visible, 1H-NMR and mass spectra. The reaction of the Schiff base ligand with cobalt(II), nickel(II), copper(II), zinc(II) and oxovanadium(IV) lead to mono or binuclear species of cyclic or macrocyclic complexes, depending on the mole ratio of metal to ligand and as well as on the method of preparation. The Schiff base ligand behaves as a cyclic bidentate, tetradendate or pentaentadentae ligand. The formation of macrocyclic complexes depends significantly on the dimension of the internal cavity, the rigidity of the macrocycles, the nature of its donor atoms and on the complexing properties of the anion involved in the coordination. Electronic spectra and magnetic moments of the complexes indicate that the geometries of the metal centers are either square pyramidal or octahedral for acyclic or macro-cyclic complexes. The structures are consistent with the IR, UV-visible, ESR, 1H-NMR, mass spectra as well as conductivity and magnetic moment measurements. The Schiff base ligand and its metal complexes were tested against two pathogenic bacteria as Gram-positive and Gram-negative bacteria as well as one kind of fungi. Most of the complexes exhibit mild antibacterial and antifungal activities against these organisms.

  20. Metabolome Analyses Uncovered a Novel Inhibitory Effect of Acyclic Retinoid on Aberrant Lipogenesis in a Mouse Diethylnitrosamine-Induced Hepatic Tumorigenesis Model.

    PubMed

    Qin, Xian-Yang; Tatsukawa, Hideki; Hitomi, Kiyotaka; Shirakami, Yohei; Ishibashi, Naoto; Shimizu, Masahito; Moriwaki, Hisataka; Kojima, Soichi

    2016-03-01

    Acyclic retinoid (ACR) is a promising drug under clinical trials for preventing recurrence of hepatocellular carcinoma. The objective of this study was to gain insights into molecular basis of the antitumorigenic action of ACR from a metabolic point of view. To achieve this, comprehensive cationic and lipophilic liver metabolic profiling was performed in mouse diethylnitrosamine (DEN)-induced hepatic tumorigenesis model using both capillary electrophoresis time-of-flight mass spectrometry and liquid chromatography time-of-flight mass spectrometry. ACR significantly counteracted against acceleration of lipogenesis but not glucose metabolism in DEN-treated mice liver, suggesting an important role of lipid metabolic reprogramming in the initiation step of hepatic tumorigenesis. Knowledge-based pathway analysis suggested that inhibition of linoleic acid metabolites such as arachidonic acid, a proinflammatory precursor, played a crucial role in the prevention by ACR of DEN-induced chronic inflammation-mediated tumorigenesis of the liver. As a molecular mechanism of the ACR's effect to prevent the aberrant lipogenesis, microarray analysis identified that a key transcription regulator of both embryogenesis and tumorigenesis, COUP transcription factor 2, also known as NR2F2, was associated with the metabolic effect of ACR in human hepatocellular carcinoma cells. Our study provided potential therapeutic targets for the chemoprevention of hepatocellular carcinoma as well as new insights into the mechanisms underlying prevention of hepatic tumorigenesis. PMID:26744170

  1. Self consistent radio-frequency wave propagation and peripheral direct current plasma biasing: Simplified three dimensional non-linear treatment in the 'wide sheath' asymptotic regime

    SciTech Connect

    Colas, L.; Jacquot, J.; Hillairet, J.; Goniche, M.; Heuraux, S.; Faudot, E.; Crombe, K.; Kyrytsya, V.

    2012-09-15

    A minimal two-field fluid approach is followed to describe the radio-frequency (RF) wave propagation in the bounded scrape-off layer plasma of magnetic fusion devices self-consistently with direct current (DC) biasing of this plasma. The RF and DC parts are coupled by non-linear RF and DC sheath boundary conditions at both ends of open magnetic field lines. The physical model is studied within a simplified framework featuring slow wave (SW) only and lateral walls normal to the straight confinement magnetic field. The possibility is however kept to excite the system by any realistic 2D RF field map imposed at the outer boundary of the simulation domain. The self-consistent RF + DC system is solved explicitly in the asymptotic limit when the width of the sheaths gets very large, for several configurations of the RF excitation and of the target plasma. In the case of 3D parallelepipedic geometry, semi-analytical results are proposed in terms of asymptotic waveguide eigenmodes that can easily be implemented numerically. The validity of the asymptotic treatment is discussed and is illustrated by numerical tests against a quantitative criterion expressed from the simulation parameters. Iterative improvement of the solution from the asymptotic result is also outlined. Throughout the resolution, key physical properties of the solution are presented. The radial penetration of the RF sheath voltages along lateral walls at both ends of the open magnetic field lines can be far deeper than the skin depth characteristic of the SW evanescence. This is interpreted in terms of sheath-plasma wave excitation. Therefore, the proper choice of the inner boundary location is discussed as well as the appropriate boundary conditions to apply there. The asymptotic scaling of various quantities with the amplitude of the input RF excitation is established.

  2. Three-dimensional magnetotelluric inversion including topography using deformed hexahedral edge finite elements, direct solvers and data space Gauss-Newton, parallelized on SMP computers

    NASA Astrophysics Data System (ADS)

    Kordy, M. A.; Wannamaker, P. E.; Maris, V.; Cherkaev, E.; Hill, G. J.

    2014-12-01

    We have developed an algorithm for 3D simulation and inversion of magnetotelluric (MT) responses using deformable hexahedral finite elements that permits incorporation of topography. Direct solvers parallelized on symmetric multiprocessor (SMP), single-chassis workstations with large RAM are used for the forward solution, parameter jacobians, and model update. The forward simulator, jacobians calculations, as well as synthetic and real data inversion are presented. We use first-order edge elements to represent the secondary electric field (E), yielding accuracy O(h) for E and its curl (magnetic field). For very low frequency or small material admittivity, the E-field requires divergence correction. Using Hodge decomposition, correction may be applied after the forward solution is calculated. It allows accurate E-field solutions in dielectric air. The system matrix factorization is computed using the MUMPS library, which shows moderately good scalability through 12 processor cores but limited gains beyond that. The factored matrix is used to calculate the forward response as well as the jacobians of field and MT responses using the reciprocity theorem. Comparison with other codes demonstrates accuracy of our forward calculations. We consider a popular conductive/resistive double brick structure and several topographic models. In particular, the ability of finite elements to represent smooth topographic slopes permits accurate simulation of refraction of electromagnetic waves normal to the slopes at high frequencies. Run time tests indicate that for meshes as large as 150x150x60 elements, MT forward response and jacobians can be calculated in ~2.5 hours per frequency. For inversion, we implemented data space Gauss-Newton method, which offers reduction in memory requirement and a significant speedup of the parameter step versus model space approach. For dense matrix operations we use tiling approach of PLASMA library, which shows very good scalability. In synthetic

  3. Study of the Impact of Tissue Density Heterogeneities on 3-Dimensional Abdominal Dosimetry: Comparison Between Dose Kernel Convolution and Direct Monte Carlo Methods

    PubMed Central

    Dieudonné, Arnaud; Hobbs, Robert F.; Lebtahi, Rachida; Maurel, Fabien; Baechler, Sébastien; Wahl, Richard L.; Boubaker, Ariane; Le Guludec, Dominique; Sgouros, Georges; Gardin, Isabelle

    2014-01-01

    Dose kernel convolution (DK) methods have been proposed to speed up absorbed dose calculations in molecular radionuclide therapy. Our aim was to evaluate the impact of tissue density heterogeneities (TDH) on dosimetry when using a DK method and to propose a simple density-correction method. Methods This study has been conducted on 3 clinical cases: case 1, non-Hodgkin lymphoma treated with 131I-tositumomab; case 2, a neuroendocrine tumor treatment simulated with 177Lu-peptides; and case 3, hepatocellular carcinoma treated with 90Y-microspheres. Absorbed dose calculations were performed using a direct Monte Carlo approach accounting for TDH (3D-RD), and a DK approach (VoxelDose, or VD). For each individual voxel, the VD absorbed dose, DVD, calculated assuming uniform density, was corrected for density, giving DVDd. The average 3D-RD absorbed dose values, D3DRD, were compared with DVD and DVDd, using the relative difference ΔVD/3DRD. At the voxel level, density-binned ΔVD/3DRD and ΔVDd/3DRD were plotted against ρ and fitted with a linear regression. Results The DVD calculations showed a good agreement with D3DRD. ΔVD/3DRD was less than 3.5%, except for the tumor of case 1 (5.9%) and the renal cortex of case 2 (5.6%). At the voxel level, the ΔVD/3DRD range was 0%–14% for cases 1 and 2, and −3% to 7% for case 3. All 3 cases showed a linear relationship between voxel bin-averaged ΔVD/3DRD and density, ρ: case 1 (Δ = −0.56ρ + 0.62, R2 = 0.93), case 2 (Δ = −0.91ρ + 0.96, R2 = 0.99), and case 3 (Δ = −0.69ρ + 0.72, R2 = 0.91). The density correction improved the agreement of the DK method with the Monte Carlo approach (ΔVDd/3DRD < 1.1%), but with a lesser extent for the tumor of case 1 (3.1%). At the voxel level, the ΔVDd/3DRD range decreased for the 3 clinical cases (case 1, −1% to 4%; case 2, −0.5% to 1.5%, and −1.5% to 2%). No more linear regression existed for cases 2 and 3, contrary to case 1 (Δ = 0.41ρ − 0.38, R2 = 0.88) although

  4. Efficient copper-catalyzed direct intramolecular aminotrifluoromethylation of unactivated alkenes with diverse nitrogen-based nucleophiles.

    PubMed

    Lin, Jin-Shun; Xiong, Ya-Ping; Ma, Can-Liang; Zhao, Li-Jiao; Tan, Bin; Liu, Xin-Yuan

    2014-01-27

    A mild, convenient, and step-economical intramolecular aminotrifluoromethylation of unactivated alkenes with a variety of electronically distinct, nitrogen-based nucleophiles in the presence of a simple copper salt catalyst, in the absence of extra ligands, is described. Many different nitrogen-based nucleophiles (e.g., basic primary aliphatic and aromatic amines, sulfonamides, carbamates, and ureas) can be employed in this new aminotrifluoromethylation reaction. The aminotrifluoromethylation process allows straightforward access to diversely substituted CF3-containing pyrrolidines or indolines, in good to excellent yields, through a direct difunctionalization strategy from the respective acyclic starting materials. Mechanistic studies were conducted and a plausible mechanism was proposed. PMID:24458913

  5. Catalytic C(sp(3) )-H Arylation of Free Primary Amines with an exo Directing Group Generated In Situ.

    PubMed

    Xu, Yan; Young, Michael C; Wang, Chengpeng; Magness, David M; Dong, Guangbin

    2016-07-25

    Herein, we report the palladium-catalyzed direct arylation of unactivated aliphatic C-H bonds in free primary amines. This method takes advantage of an exo-imine-type directing group (DG) that can be generated and removed in situ. A range of unprotected aliphatic amines are suitable substrates, undergoing site-selective arylation at the γ-position. Methyl as well as cyclic and acyclic methylene groups can be activated. Furthermore, when aniline-derived substrates were used, preliminary success with δ-C-H arylation was achieved. The feasibility of using the DG component in a catalytic fashion was also demonstrated. PMID:27276342

  6. Method development and application of offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis for comprehensive characterization of the saponins from Xueshuantong Injection.

    PubMed

    Yang, Wenzhi; Zhang, Jingxian; Yao, Changliang; Qiu, Shi; Chen, Ming; Pan, Huiqin; Shi, Xiaojian; Wu, Wanying; Guo, Dean

    2016-09-01

    Xueshuantong Injection (XSTI), derived from Notoginseng total saponins, is a popular traditional Chinese medicine injection for the treatment of thrombus-resultant diseases. Current knowledge on its therapeutic basis is limited to five major saponins, whereas those minor ones are rarely investigated. We herein develop an offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis (offline 2D LC/QTOF-Fast DDA) approach to systematically characterize the saponins contained in XSTI. Key parameters affecting chromatographic separation in 2D LC (including stationary phase, mobile phase, column temperature, and gradient elution program) and the detection by QTOF MS (involving spray voltage, cone voltage, and ramp collision energy) were optimized in sequence. The configured offline 2D LC system showed an orthogonality of 0.84 and a theoretical peak capacity of 8976. Total saponins in XSTI were fractionated into eleven samples by the first-dimensional hydrophilic interaction chromatography, which were further analyzed by reversed-phase UHPLC/QTOF-Fast DDA in negative ion mode. The fragmentation features evidenced from 36 saponin reference standards, high-accuracy MS and Fast-DDA-MS(2) data, elemental composition (C<80, H<120, O<50), double-bond equivalent (DBE 5-15), and searching an in-house library of Panax notoginseng, were simultaneously utilized for structural elucidation. Ultimately, 148 saponins were separated and characterized, and 80 have not been isolated from P. notoginseng. An in-depth depiction of the chemical composition of XSTI was achieved. The results obtained would benefit better understanding of the therapeutic basis and significant promotion on the quality standard of XSTI as well as other homologous products. PMID:27318082

  7. Acyclic Cucurbit[n]uril-Type Molecular Container Enables Systemic Delivery of Effective Doses of Albendazole for Treatment of SK-OV-3 Xenograft Tumors.

    PubMed

    Hettiarachchi, Gaya; Samanta, Soumen K; Falcinelli, Shane; Zhang, Ben; Moncelet, Damien; Isaacs, Lyle; Briken, Volker

    2016-03-01

    Approximately, 40-70% of active pharmaceutical ingredients (API) are severely limited by their extremely poor aqueous solubility, and consequently, there is a high demand for excipients that can be used to formulate clinically relevant doses of these drug candidates. Here, proof-of-concept studies demonstrate the potential of our recently discovered acyclic cucurbit[n]uril-type molecular container Motor1 (M1) as a solubilizing agent for insoluble drugs. M1 did not induce significant rates of mutations in various Salmonella typhimurium test strains during the Ames test, suggesting low genotoxicity. M1 also has low risk of causing cardiac toxicity in humans since it did not inhibit the human Ether-à-go-go-Related Gene channel as tested on transfected CHO cell lines via patch clamp analysis. Albendazole (ABZ) is a widely used antihelminthic agent but that has also shown promising efficacy against cancerous cells in vitro. However, due to its low aqueous solubility (2.7 μM) and poor pharmacokinetics, ABZ is clinically limited as an anticancer agent. Here we investigated the potential of M1 as a solubilizing excipient for ABZ formulation. A pharmacokinetic study indicated that ABZ escapes the peritoneal cavity resulting in 78% absolute bioavailability, while its active intermediate metabolite, albendazole sulfoxide, achieved 43% absolute bioavailability. The daily dosing of 681 mg/kg M1 complexed with 3.2 mg/kg of ABZ for 14 days did not result in significant weight loss or pathology in Swiss Webster mice. In vivo efficacy studies using this M1·ABZ inclusion complex showed significant decreases in tumor growth rates and increases in survival of mice bearing SK-OV-3 xenograft tumors. In conclusion, we provide substantial new evidence demonstrating that M1 is a safe and efficient excipient that enables in vivo parenteral delivery of poorly water-soluble APIs. PMID:26756920

  8. Pituitary and ovarian responses of post-partum acyclic beef cows to continuous long-term GnRH and GnRH agonist treatment.

    PubMed

    D'Occhio, M J; Gifford, D R; Earl, C R; Weatherly, T; von Rechenberg, W

    1989-03-01

    Post-partum acyclic beef cows received continuous long-term treatment with GnRH (200 or 400 ng/kg body wt/h) or the GnRH agonist buserelin (5.5 or 11 ng/kg body wt/h) using s.c. osmotic minipumps which were designed to remain active for 28 days. All treatments increased circulating LH concentrations whereas FSH remained unchanged. Ovulation and corpus luteum (CL) formation as judged by progesterone concentrations greater than or equal to 1 ng/ml occurred in 0/5 control, 4/5 200 ng GnRH, 4/4 400 ng GnRH, 4/5 5.5 ng buserelin and 3/5 11 ng buserelin cows. The outstanding features of the progesterone profiles were the synchrony, both within and across groups, in values greater than or equal to 1 ng/ml around Day 6, and the fact that most CL were short-lived (4-6 days). Only 3 cows, one each from the 400 ng GnRH, 5.5 ng buserelin and 11 ng buserelin groups, showed evidence of extended CL function. Cows failed to show a second ovulation which was anticipated around Day 10 and this could have been due to insufficient FSH to stimulate early follicular development, or the absence of an endogenously driven LH surge. The highest LH concentrations for the respective groups were observed on Days 2 and 6 and by Day 10 LH was declining, although concentrations did remain higher than in controls up to Day 20.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:2495359

  9. Design, synthesis, antiviral and cytostatic activity of ω-(1H-1,2,3-triazol-1-yl)(polyhydroxy)alkylphosphonates as acyclic nucleotide analogues.

    PubMed

    Głowacka, Iwona E; Balzarini, Jan; Andrei, Graciela; Snoeck, Robert; Schols, Dominique; Piotrowska, Dorota G

    2014-07-15

    The efficient synthesis of a new series of polyhydroxylated dibenzyl ω-(1H-1,2,3-triazol-1-yl)alkylphosphonates as acyclic nucleotide analogues is described starting from dibenzyl ω-azido(polyhydroxy)alkylphosphonates and selected alkynes under microwave irradiation. Selected O,O-dibenzylphosphonate acyclonucleotides were transformed into the respective phosphonic acids. All compounds were evaluated in vitro for activity against a broad variety of DNA and RNA viruses and for cytostatic activity against murine leukemia L1210, human T-lymphocyte CEM and human cervix carcinoma HeLa cells. Compound (1S,2S)-16b exhibited antiviral activity against Influenza A H3N2 subtype (EC50=20μM-visual CPE score; EC50=18μM-MTS method; MCC >100μM, CC50 >100μM) in Madin Darby canine kidney cell cultures (MDCK), and (1S,2S)-16k was active against vesicular stomatitis virus and respiratory syncytial virus in HeLa cells (EC50=9 and 12μM, respectively). Moreover, compound (1R,2S)-16l showed activity against both herpes simplex viruses (HSV-1, HSV-2) in HEL cell cultures (EC50=2.9 and 4μM, respectively) and feline herpes virus in CRFK cells (EC50=4μM) but at the same time it exhibited cytotoxicity toward uninfected cell (MCC⩾4μM). Several other compounds have been found to inhibit proliferation of L1210, CEM as well as HeLa cells with IC50 in the 4-50μM range. Among them compounds (1S,2S)- and (1R,2S)-16l were the most active (IC50 in the 4-7μM range). PMID:24906510

  10. Three-directional motion-compensation mask-based novel look-up table on graphics processing units for video-rate generation of digital holographic videos of three-dimensional scenes.

    PubMed

    Kwon, Min-Woo; Kim, Seung-Cheol; Kim, Eun-Soo

    2016-01-20

    A three-directional motion-compensation mask-based novel look-up table method is proposed and implemented on graphics processing units (GPUs) for video-rate generation of digital holographic videos of three-dimensional (3D) scenes. Since the proposed method is designed to be well matched with the software and memory structures of GPUs, the number of compute-unified-device-architecture kernel function calls can be significantly reduced. This results in a great increase of the computational speed of the proposed method, allowing video-rate generation of the computer-generated hologram (CGH) patterns of 3D scenes. Experimental results reveal that the proposed method can generate 39.8 frames of Fresnel CGH patterns with 1920×1080 pixels per second for the test 3D video scenario with 12,088 object points on dual GPU boards of NVIDIA GTX TITANs, and they confirm the feasibility of the proposed method in the practical application fields of electroholographic 3D displays. PMID:26835954

  11. A general route for the rapid synthesis of one-dimensional nanostructured single-crystal Te, Se and Se Te alloys directly from Te or/and Se powders

    NASA Astrophysics Data System (ADS)

    Zhou, Bo; Zhu, Jun-Jie

    2006-03-01

    A general and template-free 'disproportionation and reversal' route was developed to synthesize one-dimensional (1D) nanostructures of Te, Se and Se-Te alloys directly from Te or/and Se powders. The products were characterized by x-ray diffraction (XRD), transmission electron microscopy (TEM), selected area electron diffraction (SAED), and scanning electron microscopy (SEM). Te nanorods and nanowires with a width varying from about 40 nm to about 300 nm, Se nanowires with a width of 60-100 nm and a length of 4-6 µm, and SexTe100-x alloy nanorods with x in a wide range, and with a width of 30-70 nm and an aspect ratio of three to five, were prepared. The mechanism of formation of the nanorods and nanowires and the effects of the experimental conditions, such as solution concentration, cooling rate, solvent nature and heating process, on the morphology and size of the products have been discussed. We believe that this general route and some other proper reversible processes between solid state and solution state can be extended to the transformations from various bulk materials into nanosized materials with various morphologies.

  12. Teleportation of a 3-dimensional GHZ State

    NASA Astrophysics Data System (ADS)

    Cao, Hai-Jing; Wang, Huai-Sheng; Li, Peng-Fei; Song, He-Shan

    2012-05-01

    The process of teleportation of a completely unknown 3-dimensional GHZ state is considered. Three maximally entangled 3-dimensional Bell states function as quantum channel in the scheme. This teleportation scheme can be directly generalized to teleport an unknown d-dimensional GHZ state.

  13. A combination of directing groups and chiral anion phase-transfer catalysis for enantioselective fluorination of alkenes

    PubMed Central

    Wu, Jeffrey; Wang, Yi-Ming; Drljevic, Amela; Rauniyar, Vivek; Phipps, Robert J.; Toste, F. Dean

    2013-01-01

    We report a catalytic enantioselective electrophilic fluorination of alkenes to form tertiary and quaternary C(sp3)-F bonds and generate β-amino- and β-aryl-allylic fluorides. The reaction takes advantage of the ability of chiral phosphate anions to serve as solid–liquid phase transfer catalysts and hydrogen bond with directing groups on the substrate. A variety of heterocyclic, carbocyclic, and acyclic alkenes react with good to excellent yields and high enantioselectivities. Further, we demonstrate a one-pot, tandem dihalogenation–cyclization reaction, using the same catalytic system twice in series, with an analogous electrophilic brominating reagent in the second step. PMID:23922394

  14. Copper-catalyzed α-amination of phosphonates and phosphine oxides: a direct approach to α-amino phosphonic acids and derivatives.

    PubMed

    McDonald, Stacey L; Wang, Qiu

    2014-02-10

    A direct approach to important α-amino phosphonic acids and its derivatives has been developed by using copper-catalyzed electrophilic amination of α-phosphonate zincates with O-acyl hydroxylamines. This amination provides the first example of CN bond formation which directly introduces acyclic and cyclic amines to the α-position of phosphonates in one step. The reaction is readily promoted at room temperature with as little as 0.5 mol % of catalyst, and demonstrates high efficiency on a broad substrate scope. PMID:24474326

  15. Combining Two-Dimensional Diffusion-Ordered Nuclear Magnetic Resonance Spectroscopy, Imaging Desorption Electrospray Ionization Mass Spectrometry, and Direct Analysis in Real-Time Mass Spectrometry for the Integral Investigation of Counterfeit Pharmaceuticals

    PubMed Central

    Nyadong, Leonard; Harris, Glenn A.; Balayssac, Stéphane; Galhena, Asiri S.; Malet-Martino, Myriam; Martino, Robert; Parry, R. Mitchell; Wang, May Dongmei; Fernández, Facundo M.; Gilard, Véronique

    2016-01-01

    During the past decade, there has been a marked increase in the number of reported cases involving counterfeit medicines in developing and developed countries. Particularly, artesunate-based antimalarial drugs have been targeted, because of their high demand and cost. Counterfeit antimalarials can cause death and can contribute to the growing problem of drug resistance, particularly in southeast Asia. In this study, the complementarity of two-dimensional diffusion-ordered 1H nuclear magnetic resonance spectroscopy (2D DOSY 1H NMR) with direct analysis in real-time mass spectrometry (DART MS) and desorption electrospray ionization mass spectrometry (DESI MS) was assessed for pharmaceutical forensic purposes. Fourteen different artesunate tablets, representative of what can be purchased from informal sources in southeast Asia, were investigated with these techniques. The expected active pharmaceutical ingredient was detected in only five formulations via both nuclear magnetic resonance (NMR) and mass spectrometry (MS) methods. Common organic excipients such as sucrose, lactose, stearate, dextrin, and starch were also detected. The graphical representation of DOSY 1H NMR results proved very useful for establishing similarities among groups of samples, enabling counterfeit drug “chemotyping”. In addition to bulk- and surface-average analyses, spatially resolved information on the surface composition of counterfeit and genuine antimalarial formulations was obtained using DESI MS that was performed in the imaging mode, which enabled one to visualize the homogeneity of both genuine and counterfeit drug samples. Overall, this study suggests that 2D DOSY 1H NMR, combined with ambient MS, comprises a powerful suite of instrumental analysis methodologies for the integral characterization of counterfeit antimalarials. PMID:19453162

  16. Dimensional interpolation for nonlinear filters

    NASA Astrophysics Data System (ADS)

    Daum, Fred

    2005-09-01

    Dimensional interpolation has been used successfully by physicists and chemists to solve the Schroedinger equation for atoms and complex molecules. The same basic idea can be used to solve the Fokker-Planck equation for nonlinear filters. In particular, it is well known (by physicists) that two Schroedinger equations are equivalent to two Fokker-Planck equations. Moreover, we can avoid the Schroedinger equation altogether and use dimensional interpolation directly on the Fokker-Planck equation. Dimensional interpolation sounds like a crazy idea, but it works. We will attempt to make this paper accessible to normal engineers who do not have quantum mechanics for breakfast.

  17. Fully localized two-dimensional embedded solitons

    SciTech Connect

    Yang Jianke

    2010-11-15

    We report the prediction of fully localized two-dimensional embedded solitons. These solitons are obtained in a quasi-one-dimensional waveguide array which is periodic along one spatial direction and localized along the orthogonal direction. Under appropriate nonlinearity, these solitons are found to exist inside the Bloch bands (continuous spectrum) of the waveguide and thus are embedded solitons. These embedded solitons are fully localized along both spatial directions. In addition, they are fully stable under perturbations.

  18. Dimensional Duality

    SciTech Connect

    Green, Daniel; Lawrence, Albion; McGreevy, John; Morrison, David R.; Silverstein, Eva; /SLAC /Stanford U., Phys. Dept.

    2007-05-18

    We show that string theory on a compact negatively curved manifold, preserving a U(1)b1 winding symmetry, grows at least b1 new effective dimensions as the space shrinks. The winding currents yield a ''D-dual'' description of a Riemann surface of genus h in terms of its 2h dimensional Jacobian torus, perturbed by a closed string tachyon arising as a potential energy term in the worldsheet sigma model. D-branes on such negatively curved manifolds also reveal this structure, with a classical moduli space consisting of a b{sub 1}-torus. In particular, we present an AdS/CFT system which offers a non-perturbative formulation of such supercritical backgrounds. Finally, we discuss generalizations of this new string duality.

  19. Direct Aerobic α, β-Dehydrogenation of Aldehydes and Ketones with a Pd(TFA)(2)/4,5-Diazafluorenone Catalyst().

    PubMed

    Diao, Tianning; Wadzinski, Tyler J; Stahl, Shannon S

    2012-01-01

    The direct α, β-dehydrogenation of aldehydes and ketones represents an efficient alternative to stepwise methods to prepare enal and enone products. Here, we describe a new Pd(TFA)(2)/4,5-diazafluorenone dehydrogenation catalyst that overcomes key limitations of previous catalyst systems. The scope includes successful reactivity with pharmaceutically important cyclopentanone and flavanone substrates, as well as acyclic ketones. Preliminary mechanistic studies compare the reactivity of this catalyst to previously reported dehydrogenation catalysts and reveal that cleavage of the α-C-H bond of the ketone is the turnover-limiting step of the catalytic mechanism. PMID:22690316

  20. Direct Aerobic α, β-Dehydrogenation of Aldehydes and Ketones with a Pd(TFA)2/4,5-Diazafluorenone Catalyst†

    PubMed Central

    Diao, Tianning; Wadzinski, Tyler J.; Stahl, Shannon S.

    2011-01-01

    The direct α, β-dehydrogenation of aldehydes and ketones represents an efficient alternative to stepwise methods to prepare enal and enone products. Here, we describe a new Pd(TFA)2/4,5-diazafluorenone dehydrogenation catalyst that overcomes key limitations of previous catalyst systems. The scope includes successful reactivity with pharmaceutically important cyclopentanone and flavanone substrates, as well as acyclic ketones. Preliminary mechanistic studies compare the reactivity of this catalyst to previously reported dehydrogenation catalysts and reveal that cleavage of the α-C–H bond of the ketone is the turnover-limiting step of the catalytic mechanism. PMID:22690316

  1. Two dimensional vernier

    NASA Technical Reports Server (NTRS)

    Juday, Richard D. (Inventor)

    1992-01-01

    A two-dimensional vernier scale is disclosed utilizing a cartesian grid on one plate member with a polar grid on an overlying transparent plate member. The polar grid has multiple concentric circles at a fractional spacing of the spacing of the cartesian grid lines. By locating the center of the polar grid on a location on the cartesian grid, interpolation can be made of both the X and Y fractional relationship to the cartesian grid by noting which circles coincide with a cartesian grid line for the X and Y direction.

  2. Three-dimensional metamaterials

    DOEpatents

    Burckel, David Bruce

    2012-06-12

    A fabrication method is capable of creating canonical metamaterial structures arrayed in a three-dimensional geometry. The method uses a membrane suspended over a cavity with predefined pattern as a directional evaporation mask. Metallic and/or dielectric material can be evaporated at high vacuum through the patterned membrane to deposit resonator structures on the interior walls of the cavity, thereby providing a unit cell of micron-scale dimension. The method can produce volumetric metamaterial structures comprising layers of such unit cells of resonator structures.

  3. Highly directional thermal emitter

    DOEpatents

    Ribaudo, Troy; Shaner, Eric A; Davids, Paul; Peters, David W

    2015-03-24

    A highly directional thermal emitter device comprises a two-dimensional periodic array of heavily doped semiconductor structures on a surface of a substrate. The array provides a highly directional thermal emission at a peak wavelength between 3 and 15 microns when the array is heated. For example, highly doped silicon (HDSi) with a plasma frequency in the mid-wave infrared was used to fabricate nearly perfect absorbing two-dimensional gratings structures that function as highly directional thermal radiators. The absorption and emission characteristics of the HDSi devices possessed a high degree of angular dependence for infrared absorption in the 10-12 micron range, while maintaining high reflectivity of solar radiation (.about.64%) at large incidence angles.

  4. Three dimensional colorimetric assay assemblies

    SciTech Connect

    Charych, D.; Reichart, A.

    2000-06-27

    A direct assay is described using novel three-dimensional polymeric assemblies which change from a blue to red color when exposed to an analyte, in one case a flu virus. The assemblies are typically in the form of liposomes which can be maintained in a suspension, and show great intensity in their color changes. Their method of production is also described.

  5. Three dimensional colorimetric assay assemblies

    DOEpatents

    Charych, Deborah; Reichart, Anke

    2000-01-01

    A direct assay is described using novel three-dimensional polymeric assemblies which change from a blue to red color when exposed to an analyte, in one case a flu virus. The assemblies are typically in the form of liposomes which can be maintained in a suspension, and show great intensity in their color changes. Their method of production is also described.

  6. Directed HK propagator

    NASA Astrophysics Data System (ADS)

    Kocia, Lucas; Heller, Eric J.

    2015-09-01

    We offer a more formal justification for the successes of our recently communicated "directed Heller-Herman-Kluk-Kay" (DHK) time propagator by examining its performance in one-dimensional bound systems which exhibit at least quasi-periodic motion. DHK is distinguished by its single one-dimensional integral—a vast simplification over the usual 2N-dimensional integral in full Heller-Herman-Kluk-Kay (for an N-dimensional system). We find that DHK accurately captures particular coherent state autocorrelations when its single integral is chosen to lie along these states' fastest growing manifold, as long as it is not perpendicular to their action gradient. Moreover, the larger the action gradient, the better DHK will perform. We numerically examine DHK's accuracy in a one-dimensional quartic oscillator and illustrate that these conditions are frequently satisfied such that the method performs well. This lends some explanation for why DHK frequently seems to work so well and suggests that it may be applicable to systems exhibiting quite strong anharmonicity.

  7. Distributed impulsive group consensus in second-order multi-agent systems under directed topology

    NASA Astrophysics Data System (ADS)

    Liu, Jun; Zhou, Jin

    2015-05-01

    This paper investigates the impulsive group consensus problems of second-order multi-agent systems under directed network topology with acyclic partition. Two distributed impulsive sampled-data protocols are presented to realise group consensus for both cases with leaders and leaderless, and then some simple yet generic criteria on convergence for such algorithms are established. It is shown that, for the case with leaderless, a feature of the present protocols is to give an explicit expression of group consensus states in terms of the initial values of the agents, which allows us to develop a simple approach yielding the desired group or cluster consensus. While for the case of virtual leaders, a pinning-like tracking technique is effectively designed to regulate all the agents access to the virtual leaders respectively for the purpose of practical control strategy. Finally, simulation results are presented to illustrate the effectiveness of the theoretical analysis.

  8. Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry in the identification of organic compounds in atmospheric aerosols from coniferous forest.

    PubMed

    Kallio, Minna; Jussila, Matti; Rissanen, Taija; Anttila, Piia; Hartonen, Kari; Reissell, Anni; Vreuls, René; Adahchour, Mohamed; Hyötyläinen, Tuulia

    2006-09-01

    Comprehensive two-dimensional gas chromatography coupled to time-of-flight mass spectrometry (GC x GC-TOF-MS) was applied in the identification of organic compounds in atmospheric aerosols from coniferous forest. The samples were collected at Hyytiälä, Finland, as part of the QUEST campaign, in Spring 2003. Manual and automated search procedures were compared in the identification. An automated procedure is preferable when a large number of data files need to be processed; but manual search was more accurate with the present samples, where the number of compounds was large and most of the compounds of interest were present at trace level. Altogether, about 50 compounds were identified on the basis of mass spectra and linear retention indices. The identified compounds included oxidised monoterpenes, acyclic alkanes, alkenes, ketones and aldehydes, as well as a few alcohols, acids, and aromatic compounds. PMID:16782114

  9. Transition from a Two-Dimensional Superfluid to a One-Dimensional Mott Insulator

    SciTech Connect

    Bergkvist, Sara; Rosengren, Anders; Saers, Robert; Lundh, Emil; Rehn, Magnus; Kastberg, Anders

    2007-09-14

    A two-dimensional system of atoms in an anisotropic optical lattice is studied theoretically. If the system is finite in one direction, it is shown to exhibit a transition between a two-dimensional superfluid and a one-dimensional Mott insulating chain of superfluid tubes. Monte Carlo simulations are consistent with the expectation that the phase transition is of Kosterlitz-Thouless type. The effect of the transition on experimental time-of-flight images is discussed.

  10. The selective cytotoxic activity in breast cancer cells by an anthranilic alcohol-derived acyclic 5-fluorouracil O,N-acetal is mediated by endoplasmic reticulum stress-induced apoptosis.

    PubMed

    Caba, Octavio; Rodríguez-Serrano, Fernando; Díaz-Gavilán, Mónica; Conejo-García, Ana; Ortiz, Raúl; Martínez-Amat, Antonio; Alvarez, Pablo; Gallo, Miguel A; Campos, Joaquín M; Marchal, Juan A; Aránega, Antonia

    2012-04-01

    Advance in the knowledge of molecular biology has thrown light on many aspects of apoptosis regulation mechanisms. This has allowed a change in anti-cancer therapy trends, from classic cytotoxic strategies to the development of new non-harmful therapies which target the apoptosis response selectively only in tumour cells. We have selected an anthranilic alcohol-derived acyclic 5-fluorouracil O,N-acetal (5) to carry out the anti-cancer studies. This compound shows activity as a potent growth inhibitor of the tumour cell line MCF-7 at a very low concentration. Moreover, when this compound was administered to the non-neoplastic cell line, MCF-10A displayed less toxicity resulting in lower rates of apoptosis. Further studies by microarray hybridization, real-time PCR and western blot showed that when administered to human breast cancer cells, MCF-7, 5 had no activity against classic pro-apoptotic genes such as p53, and even induced the down-regulation of anti-apoptotic genes such as Bcl-2. In contrast, several pro-apoptotic genes related with the endoplasmic reticulum (ER)-stress-induced apoptosis, such as BBC3 and Noxa, appeared up-regulated. These results seem to show that the mechanism of action and selectivity of 5 was via the activation of the ER stress-induced apoptosis. The selective activity of this compound against tumour cells via the ER stress-induced apoptosis supposes a great advantage for future therapeutic use. PMID:22373735

  11. Higher dimensional Hadamard matrices

    NASA Technical Reports Server (NTRS)

    Schlichta, P. J.

    1979-01-01

    The paper defines higher dimensional Hadamard matrices and enumerates on some of the simplest three-, four-, and five-dimensional cases and procedures for generating them. Special emphasis is given to proper matrices that have a dimensional hierarchy of orthogonalities. It is determined that this property lends itself primarily to the application of higher dimensional Hadamard matrices to error-correcting codes. A list of derived statements for n-dimensional Hadamard matrices are given, as well as a definition of Hadamard matrix families, such as minimal, Petrie polygon, antipodal (n-2)-dimensional sections, and double proximity shells.

  12. Validation of three-dimensional incompressible spatial direct numerical simulation code: A comparison with linear stability and parabolic stability equation theories for boundary-layer transition on a flat plate

    NASA Technical Reports Server (NTRS)

    Joslin, Ronald D.; Streett, Craig L.; Chang, Chau-Lyan

    1992-01-01

    Spatially evolving instabilities in a boundary layer on a flat plate are computed by direct numerical simulation (DNS) of the incompressible Navier-Stokes equations. In a truncated physical domain, a nonstaggered mesh is used for the grid. A Chebyshev-collocation method is used normal to the wall; finite difference and compact difference methods are used in the streamwise direction; and a Fourier series is used in the spanwise direction. For time stepping, implicit Crank-Nicolson and explicit Runge-Kutta schemes are used to the time-splitting method. The influence-matrix technique is used to solve the pressure equation. At the outflow boundary, the buffer-domain technique is used to prevent convective wave reflection or upstream propagation of information from the boundary. Results of the DNS are compared with those from both linear stability theory (LST) and parabolized stability equation (PSE) theory. Computed disturbance amplitudes and phases are in very good agreement with those of LST (for small inflow disturbance amplitudes). A measure of the sensitivity of the inflow condition is demonstrated with both LST and PSE theory used to approximate inflows. Although the DNS numerics are very different than those of PSE theory, the results are in good agreement. A small discrepancy in the results that does occur is likely a result of the variation in PSE boundary condition treatment in the far field. Finally, a small-amplitude wave triad is forced at the inflow, and simulation results are compared with those of LST. Again, very good agreement is found between DNS and LST results for the 3-D simulations, the implication being that the disturbance amplitudes are sufficiently small that nonlinear interactions are negligible.

  13. Direct Manipulation in Virtual Reality

    NASA Technical Reports Server (NTRS)

    Bryson, Steve

    2003-01-01

    Virtual Reality interfaces offer several advantages for scientific visualization such as the ability to perceive three-dimensional data structures in a natural way. The focus of this chapter is direct manipulation, the ability for a user in virtual reality to control objects in the virtual environment in a direct and natural way, much as objects are manipulated in the real world. Direct manipulation provides many advantages for the exploration of complex, multi-dimensional data sets, by allowing the investigator the ability to intuitively explore the data environment. Because direct manipulation is essentially a control interface, it is better suited for the exploration and analysis of a data set than for the publishing or communication of features found in that data set. Thus direct manipulation is most relevant to the analysis of complex data that fills a volume of three-dimensional space, such as a fluid flow data set. Direct manipulation allows the intuitive exploration of that data, which facilitates the discovery of data features that would be difficult to find using more conventional visualization methods. Using a direct manipulation interface in virtual reality, an investigator can, for example, move a data probe about in space, watching the results and getting a sense of how the data varies within its spatial volume.

  14. Direct cooled power electronics substrate

    DOEpatents

    Wiles, Randy H [Powell, TN; Wereszczak, Andrew A [Oak Ridge, TN; Ayers, Curtis W [Kingston, TN; Lowe, Kirk T [Knoxville, TN

    2010-09-14

    The disclosure describes directly cooling a three-dimensional, direct metallization (DM) layer in a power electronics device. To enable sufficient cooling, coolant flow channels are formed within the ceramic substrate. The direct metallization layer (typically copper) may be bonded to the ceramic substrate, and semiconductor chips (such as IGBT and diodes) may be soldered or sintered onto the direct metallization layer to form a power electronics module. Multiple modules may be attached to cooling headers that provide in-flow and out-flow of coolant through the channels in the ceramic substrate. The modules and cooling header assembly are preferably sized to fit inside the core of a toroidal shaped capacitor.

  15. Advance directives

    PubMed Central

    O’Sullivan, Rory; Mailo, Kevin; Angeles, Ricardo; Agarwal, Gina

    2015-01-01

    Abstract Objective To establish the prevalence of patients with advance directives in a family practice, and to describe patients’ perspectives on a family doctor’s role in initiating discussions about advance directives. Design A self-administered patient questionnaire. Setting A busy urban family medicine teaching clinic in Hamilton, Ont. Participants A convenience sample of adult patients attending the clinic over the course of a typical business week. Main outcome measures The prevalence of advance directives in the patient population was determined, and the patients’ expectations regarding the role of their family doctors were elucidated. Results The survey population consisted of 800 participants (a response rate of 72.5%) well distributed across age groups; 19.7% had written advance directives and 43.8% had previously discussed the topic of advance directives, but only 4.3% of these discussions had occurred with family doctors. In 5.7% of cases, a family physician had raised the issue; 72.3% of respondents believed patients should initiate the discussion. Patients who considered advance directives extremely important were significantly more likely to want their family doctors to start the conversation (odds ratio 3.98; P < .05). Conclusion Advance directives were not routinely addressed in the family practice. Most patients preferred to initiate the discussion of advance directives. However, patients who considered the subject extremely important wanted their family doctors to initiate the discussion. PMID:25873704

  16. Directing 101.

    ERIC Educational Resources Information Center

    Pintoff, Ernest

    Providing an introduction to anyone considering directing as a field of study or career, this book takes a broad look at the process of directing and encourages students and professionals alike to look outside of the movie industry for inspiration. Chapters in the book discuss selecting and acquiring material; budgeting and financing; casting and…

  17. Self Directed Learning and Self Management. Symposium.

    ERIC Educational Resources Information Center

    2002

    This document contains three papers from a symposium on self-directed learning and self-management. "Validating a More-Dimensional Conception of Self-Directed Learning" (Gerald A. Straka, Cornelia Schaefer) discusses the development and validation of a conception of self-directed learning as a dynamic interplay between behavior, information,…

  18. Direct Measurement of Intracellular Pressure

    PubMed Central

    Petrie, Ryan J.; Koo, Hyun

    2014-01-01

    A method to directly measure the intracellular pressure of adherent, migrating cells is described in the Basic Protocol. This approach is based on the servo-null method where a microelectrode is introduced into the cell to directly measure the physical pressure of the cytoplasm. We also describe the initial calibration of the microelectrode as well as the application of the method to cells migrating inside three-dimensional (3D) extracellular matrix (ECM). PMID:24894836

  19. Low-dimensional chaos in turbulence

    NASA Technical Reports Server (NTRS)

    Vastano, John A.

    1989-01-01

    Direct numerical simulations are being performed on two different fluid flows in an attempt to discover the mechanism underlying the transition to turbulence in each. The first system is Taylor-Couette flow; the second, two-dimensional flow over an airfoil. Both flows exhibit a gradual transition to high-dimensional turbulence through low-dimensional chaos. The hope is that the instabilities leading to chaos will be easier to relate to physical processes in this case, and that the understanding of these mechanisms can then be applied to a wider array of turbulent systems.

  20. Optical and relaxometric properties of monometallic (Eu(III), Tb(III), Gd(III)) and heterobimetallic (Re(I)/Gd(III)) systems based on a functionalized bipyridine-containing acyclic ligand.

    PubMed

    Leygue, Nadine; Boulay, Alexandre; Galaup, Chantal; Benoist, Eric; Laurent, Sophie; Vander Elst, Luce; Mestre-Voegtlé, Béatrice; Picard, Claude

    2016-05-17

    A series of lanthanide complexes of [LnL(H2O)](2-) composition where Ln = Eu(III), Tb(III) or Gd(III) has been studied for determining their photophysical and relaxometric properties in aqueous solution. The bifunctional ligand L (H5BPMNTA) is an acyclic chelator based on a central functionalized 2,2'-bipyridine core and two iminodiacetate coordinating arms. The mono-aqua Eu(III) and Tb(III) complexes display attractive spectroscopic properties with an excitation wavelength at 316 nm, similar excited state lifetimes and overall quantum yields (in the ranges 0.5-0.6 ms and 10-13%, respectively) in Tris buffer (pH 7.4). The proton longitudinal relaxivity, r1, of the Gd(III) complex is 4.4 mM(-1) s(-1) at 20 MHz and 310 K, which is comparable to that of the clinically used Gd-DTPA (Magnevist®). Interestingly, the water exchange rate between the coordination site and the bulk solvent is very fast (Kex = 2.6 × 10(8) s(-1) at 310 K). The ability of the complex to bind non-covalently to human serum albumin (HSA) was also examined by relaxometric measurements. We also report the synthesis and properties of a bimetallic complex based on Gd-BPMNTA and Re(I)(bpy)(CO)3 components. In this system, the Re core exhibits interesting photophysical properties (λem = 588 nm, Φ = 1.4%) and the Gd-BPMNTA core displays improved relaxivity (r1 = 6.6 mM(-1) s(-1) at 20 MHz and 310 K), due to an increase of the rotational correlation time. Besides these appealing optical and relaxometric properties, the presence of a reactive function on the structure proposes this potential dual imaging probe for conjugation to biomolecules or nanomaterials. PMID:27109253

  1. Irradiation direction from texture

    NASA Astrophysics Data System (ADS)

    Koenderink, Jan J.; Pont, Sylvia C.

    2003-10-01

    We present a theory of image texture resulting from the shading of corrugated (three-dimensional textured) surfaces, Lambertian on the micro scale, in the domain of geometrical optics. The derivation applies to isotropic Gaussian random surfaces, under collimated illumination, in normal view. The theory predicts the structure tensors from either the gradient or the Hessian of the image intensity and allows inferences of the direction of irradiation of the surface. Although the assumptions appear prima facie rather restrictive, even for surfaces that are not at all Gaussian, with the bidirectional reflectance distribution function far from Lambertian and vignetting and multiple scattering present, we empirically recover the direction of irradiation with an accuracy of a few degrees.

  2. Site-directed mutagenesis of Escherichia coli acetylglutamate kinase and aspartokinase III probes the catalytic and substrate-binding mechanisms of these amino acid kinase family enzymes and allows three-dimensional modelling of aspartokinase.

    PubMed

    Marco-Marín, Clara; Ramón-Maiques, Santiago; Tavárez, Sandra; Rubio, Vicente

    2003-11-28

    We test, using site-directed mutagenesis, predictions based on the X-ray structure of N-acetyl-L-glutamate kinase (NAGK), the paradigm of the amino acid kinase protein family, about the roles of specific residues on substrate binding and catalysis. The mutations K8R and D162E decreased V([sustrate]= infinity ) 100-fold and 1000-fold, respectively, in agreement with the predictions that K8 catalyzes phosphoryl transfer and D162 organizes the catalytic groups. R66K and N158Q increased selectively K(m)(Asp) three to four orders of magnitude, in agreement with the binding of R66 and N158 to the C(alpha) substituents of NAG. Mutagenesis in parallel of aspartokinase III (AKIII phosphorylates aspartate instead of acetylglutamate), another important amino acid kinase family member of unknown 3-D structure, identified in AKIII two residues, K8 and D202, that appear to play roles similar to those of K8 and D162 of NAGK, and supports the involvement of E119 and R198, similarly to R66 and N158 of NAGK, in the binding of the amino acid substrate, apparently interacting, respectively, with the alpha-NH(3)(+) and alpha-COO(-) of aspartate. These results and an improved alignment of the NAGK and AKIII sequences have guided us into 3-D modelling of the amino acid kinase domain of AKIII using NAGK as template. The model has good stereochemistry and validation parameters. It provides insight into substrate binding and catalysis, agreeing with mutagenesis results with another aspartokinase that were not considered when building the model.AKIII is homodimeric and is inhibited by lysine. Lysine may bind to a regulatory region that is C-terminal to the amino acid kinase domain. We make a C-terminally truncated AKIII (AKIIIt) and show that the C-region is involved in intersubunit interactions, since AKIIIt is found to be monomeric. Further, it is inactive, as demanded if dimer formation is essential for activity. Models for AKIII architecture are proposed that account for these findings

  3. Three-dimensional direct simulation Monte-Carlo modeling of the coma of comet 67P/Churyumov-Gerasimenko observed by the VIRTIS and ROSINA instruments on board Rosetta

    NASA Astrophysics Data System (ADS)

    Fougere, N.; Altwegg, K.; Berthelier, J.-J.; Bieler, A.; Bockelée-Morvan, D.; Calmonte, U.; Capaccioni, F.; Combi, M. R.; De Keyser, J.; Debout, V.; Erard, S.; Fiethe, B.; Filacchione, G.; Fink, U.; Fuselier, S. A.; Gombosi, T. I.; Hansen, K. C.; Hässig, M.; Huang, Z.; Le Roy, L.; Leyrat, C.; Migliorini, A.; Piccioni, G.; Rinaldi, G.; Rubin, M.; Shou, Y.; Tenishev, V.; Toth, G.; Tzou, C.-Y.

    2016-04-01

    Context. Since its rendezvous with comet 67P/Churyumov-Gerasimenko (67P), the Rosetta spacecraft has provided invaluable information contributing to our understanding of the cometary environment. On board, the VIRTIS and ROSINA instruments can both measure gas parameters in the rarefied cometary atmosphere, the so-called coma, and provide complementary results with remote sensing and in situ measurement techniques, respectively. The data from both ROSINA and VIRTIS instruments suggest that the source regions of H2O and CO2 are not uniformly distributed over the surface of the nucleus even after accounting for the changing solar illumination of the irregularly shaped rotating nucleus. The source regions of H2O and CO2 are also relatively different from one another. Aims: The use of a combination of a formal numerical data inversion method with a fully kinetic coma model is a way to correlate and interpret the information provided by these two instruments to fully understand the volatile environment and activity of comet 67P. Methods: In this work, the nonuniformity of the outgassing activity at the surface of the nucleus is described by spherical harmonics and constrained by ROSINA-DFMS data. This activity distribution is coupled with the local illumination to describe the inner boundary conditions of a 3D direct simulation Monte-Carlo (DSMC) approach using the Adaptive Mesh Particle Simulator (AMPS) code applied to the H2O and CO2 coma of comet 67P. Results: We obtain activity distribution of H2O and CO2 showing a dominant source of H2O in the Hapi region, while more CO2 is produced in the southern hemisphere. The resulting model outputs are analyzed and compared with VIRTIS-M/-H and ROSINA-DFMS measurements, showing much better agreement between model and data than a simpler model assuming a uniform surface activity. The evolution of the H2O and CO2 production rates with heliocentric distance are derived accurately from the coma model showing agreement between the

  4. Simple Two-Dimensional Corrections for One-Dimensional Pulse Tube Models

    NASA Technical Reports Server (NTRS)

    Lee, J. M.; Kittel, P.; Timmerhaus, K. D.; Radebaugh, R.

    2004-01-01

    One-dimensional oscillating flow models are very useful for designing pulse tubes. They are simple to use, not computationally intensive, and the physical relationship between temperature, pressure and mass flow are easy to understand when used in conjunction with phasor diagrams. They do not possess, however, the ability to directly calculate thermal and momentum diffusion in the direction transverse to the oscillating flow. To account for transverse effects, lumped parameter corrections, which are obtained though experiment, must be used. Or two-dimensional solutions of the differential fluid equations must be obtained. A linear two-dimensional solution to the fluid equations has been obtained. The solution provides lumped parameter corrections for one-dimensional models. The model accounts for heat transfer and shear flow between the gas and the tube. The complex Nusselt number and complex shear wall are useful in describing these corrections, with phase relations and amplitudes scaled with the Prandtl and Valensi numbers. The calculated ratio, a, between a two-dimensional solution of the oscillating temperature and velocity and a one-dimensional solution for the same shows a scales linearly with Va for Va less than 30. In this region alpha less than 0.5, that is, the enthalpy flow calculated with a two-dimensional model is 50% of a calculation using a one-dimensional model. For Va greater than 250, alpha = 0.8, showing that diffusion is still important even when it is confined to a thing layer near the tube wall.

  5. Three-dimensional visual stimulator

    NASA Astrophysics Data System (ADS)

    Takeda, Tsunehiro; Fukui, Yukio; Hashimoto, Keizo; Hiruma, Nobuyuki

    1995-02-01

    We describe a newly developed three-dimensional visual stimulator (TVS) that can change independently the directions, distances, sizes, luminance, and varieties of two sets of targets for both eyes. It consists of liquid crystal projectors (LCP's) that generate the flexible images of targets, Badal otometers that change target distances without changing the visual angles, and relay-lens systems that change target directions. A special control program is developed for real-time control of six motors and two LCP's in the TVS together with a three-dimensional optometer III that simultaneously measures eye movement, accommodation, pupil diameter, and head movement. distance, 0 to -20 D; direction, 16 horizontally and 15 vertically; size, 0-2 deg visual angle; and luminance, 10-2-10 2 cd/m2. The target images are refreshed at 60 Hz and speeds with which the target makes a smooth change (ramp stimuli) are size, 10 deg/s. A simple application demonstrates the performance.

  6. Three-dimensional Camera Phone

    NASA Astrophysics Data System (ADS)

    Iizuka, Keigo

    2004-12-01

    An inexpensive technique for realizing a three-dimensional (3D) camera phone display is presented. Light from the liquid-crystal screen of a camera phone is linearly polarized, and its direction of polarization is easily manipulated by a cellophane sheet used as a half-waveplate. The novel 3D camera phone display is made possible solely by optical components without resorting to computation, so that the 3D image is displayed in real time. Quality of the original image is not sacrificed in the process of converting it into a 3D image.

  7. DIRECTIONAL COUPLERS

    DOEpatents

    Nigg, D.J.

    1961-12-01

    A directional coupler of small size is designed. Stripline conductors of non-rectilinear configuration, and separated from each other by a thin dielectric spacer. cross each other at least at two locations at right angles, thus providing practically pure capacitive coupling which substantially eliminates undesirable inductive coupling. The conductors are sandwiched between a pair of ground planes. The coupling factor is dependent only on the thickness and dielectric constant of the dielectric spacer at the point of conductor crossover. (AEC)

  8. DIRECTIONAL ANTENNA

    DOEpatents

    Bittner, B.J.

    1958-05-20

    A high-frequency directional antenna of the 360 d scaring type is described. The antenna has for its desirable features the reduction in both size and complexity of the mechanism for rotating the antenna through its scanning movement. These advantages result from the rotation of only the driven element, the reflector remaining stationary. The particular antenna structure comprises a refiector formed by a plurality of metallic slats arranged in the configuration of an annular cage having the shape of a zone of revolution. The slats are parallel to each other and are disposed at an angle of 45 d to the axis of the cage. A directional radiator is disposed inside the cage at an angle of 45 d to the axis of the cage in the same direction as the reflecting slats which it faces. As the radiator is rotated, the electromagnetic wave is reflected from the slats facing the radiator and thereafter passes through the cage on the opposite side, since these slats are not parallel with the E vector of the wave.

  9. Three-dimensional colorimetric assay assemblies

    DOEpatents

    Charych, Deborah; Reichert, Anke

    2001-01-01

    A direct assay is described using novel three-dimensional polymeric assemblies which change from a blue to red color when exposed to an analyte, in one case a flue virus. The assemblies are typically in the form of liposomes which can be maintained in a suspension, and show great intensity in their color changes. Their method of production is also described.

  10. Dimensionality reduction of collective motion by principal manifolds

    NASA Astrophysics Data System (ADS)

    Gajamannage, Kelum; Butail, Sachit; Porfiri, Maurizio; Bollt, Erik M.

    2015-01-01

    While the existence of low-dimensional embedding manifolds has been shown in patterns of collective motion, the current battery of nonlinear dimensionality reduction methods is not amenable to the analysis of such manifolds. This is mainly due to the necessary spectral decomposition step, which limits control over the mapping from the original high-dimensional space to the embedding space. Here, we propose an alternative approach that demands a two-dimensional embedding which topologically summarizes the high-dimensional data. In this sense, our approach is closely related to the construction of one-dimensional principal curves that minimize orthogonal error to data points subject to smoothness constraints. Specifically, we construct a two-dimensional principal manifold directly in the high-dimensional space using cubic smoothing splines, and define the embedding coordinates in terms of geodesic distances. Thus, the mapping from the high-dimensional data to the manifold is defined in terms of local coordinates. Through representative examples, we show that compared to existing nonlinear dimensionality reduction methods, the principal manifold retains the original structure even in noisy and sparse datasets. The principal manifold finding algorithm is applied to configurations obtained from a dynamical system of multiple agents simulating a complex maneuver called predator mobbing, and the resulting two-dimensional embedding is compared with that of a well-established nonlinear dimensionality reduction method.

  11. Dimensional Evolution of Polyphenylenes: Expanding in All Directions.

    PubMed

    Hammer, Brenton A G; Müllen, Klaus

    2016-02-24

    Polyphenylenes (PPs) represent a class of conjugated polymers that have been used in applications ranging from organic electronic devices, sensors, polymer film additives to manipulate their mechanical properties, and even fluorescent tags or nanocarriers in biological media.1-3 The versatility of PPs stem from innovative synthetic strategies that have evolved throughout the years to provide avenues that precisely tune their architecture and function for specific purposes. This Review will cover the state of the art research on various PPs related to the relationship between their structure and resulting properties. PMID:26654275

  12. Direct ELISA.

    PubMed

    Lin, Alice V

    2015-01-01

    First described by Engvall and Perlmann, the enzyme-linked immunosorbent assay (ELISA) is a rapid and sensitive method for detection and quantitation of an antigen using an enzyme-labeled antibody. Besides routine laboratory usage, ELISA has been utilized in medical field and food industry as diagnostic and quality control tools. Traditionally performed in 96-well or 384-well polystyrene plates, the technology has expanded to other platforms with increase in automation. Depending on the antigen epitope and availability of specific antibody, there are variations in ELISA setup. The four basic formats are direct, indirect, sandwich, and competitive ELISAs. Direct ELISA is the simplest format requiring an antigen and an enzyme-conjugated antibody specific to the antigen. This chapter describes the individual steps for detection of a plate-bound antigen using a horseradish peroxidase (HRP)-conjugated antibody and luminol-based enhanced chemiluminescence (ECL) substrate. The methodological approach to optimize the assay by chessboard titration is also provided. PMID:26160564

  13. Controlled teleportation of a 3-dimensional bipartite quantum state

    NASA Astrophysics Data System (ADS)

    Cao, Hai-Jing; Chen, Zhong-Hua; Song, He-Shan

    2008-07-01

    A controlled teleportation scheme of an unknown 3-dimensional (3D) two-particle quantum state is proposed, where a 3D Bell state and 3D GHZ state function as the quantum channel. This teleportation scheme can be directly generalized to teleport an unknown d-dimensional bipartite quantum state.

  14. Two-dimensional discrete Ginzburg-Landau solitons

    SciTech Connect

    Efremidis, Nikolaos K.; Christodoulides, Demetrios N.; Hizanidis, Kyriakos

    2007-10-15

    We study the two-dimensional discrete Ginzburg-Landau equation. In the linear limit, the dispersion and gain curves as well as the diffraction pattern are determined analytically. In the nonlinear case, families of two-dimensional discrete solitons are found numerically as well as approximately in the high-confinement limit. The instability dynamics are analyzed by direct simulations.

  15. Direct cervicoplasty.

    PubMed

    Jordan, J Randall

    2012-02-01

    The sagging neck, or "turkey gobbler" deformity, is one of the more common reasons that patients present to facial plastic surgeons. Although many of these patients might be best improved by a full rhytidectomy with periauricular incisions, skin flap undermining, and platysmal tightening, there are some patients who do not wish to undergo a full rhytidectomy. Some of these patients may be reasonably well served by a direct cervicoplasty or submentoplasty. The advantages of this approach include shorter operative time, faster recovery, and lower complication rates. The primary disadvantage is an anterior cervical incision that may be visible under some conditions. This article will review the options for skin incisions as well as technical details that may lead to a successful rejuvenation of the submental region. PMID:22418816

  16. Directed light fabrication

    NASA Astrophysics Data System (ADS)

    Lewis, G. K.; Nemec, R.; Milewski, J.; Thoma, D. J.; Cremers, D.; Barbe, M.

    1994-09-01

    Directed Light Fabrication (DLF) is a rapid prototyping process being developed at Los Alamos National Laboratory to fabricate metal components. This is done by fusing gas delivered metal powder particles in the focal zone of a laser beam that is programmed to move along or across the part cross section. Fully dense metal is built up a layer at a time to form the desired part represented by a 3 dimensional solid model from CAD software. Machine 'tool paths' are created from the solid model that command the movement and processing parameters specific to the DLF process so that the part can be built one layer at a time. The result is a fully dense, near net shape metal part that solidifies under rapid solidification conditions.

  17. Directed light fabrication

    SciTech Connect

    Lewis, G.K.; Nemec, R.; Milewski, J.; Thoma, D.J.; Cremers, D.; Barbe, M.

    1994-09-01

    Directed Light Fabrication (DLF) is a rapid prototyping process being developed at Los Alamos National Laboratory to fabricate metal components. This is done by fusing gas delivered metal powder particles in the focal zone of a laser beam that is, programmed to move along or across the part cross section. Fully dense metal is built up a layer at a time to form the desired part represented by a 3 dimensional solid model from CAD software. Machine ``tool paths`` are created from the solid model that command the movement and processing parameters specific to the DLF process so that the part can be built one layer at a time. The result is a fully dense, near net shape metal part that solidifies under rapid solidification conditions.

  18. Future direction of direct writing

    NASA Astrophysics Data System (ADS)

    Kim, Nam-Soo; Han, Kenneth N.

    2010-11-01

    Direct write technology using special inks consisting of finely dispersed metal nanoparticles in liquid is receiving an undivided attention in recent years for its wide range of applicability in modern electronic industry. The application of this technology covers radio frequency identification-tag (RFID-tag), flexible-electronics, organic light emitting diodes (OLED) display, e-paper, antenna, bumpers used in flip-chip, underfilling, frit, miniresistance applications and biological uses, artificial dental applications and many more. In this paper, the authors have reviewed various direct write technologies on the market and discussed their advantages and shortfalls. Emphasis has given on microdispensing deposition write (MDDW), maskless mesoscale materials deposition (M3D), and ink-jet technologies. All of these technologies allow printing various patterns without employing a mask or a resist with an enhanced speed with the aid of computer. MDDW and M3D are capable of drawing patterns in three-dimension and MDDW, in particular, is capable of writing nanoinks with high viscosity. However, it is still far away for direct write to be fully implemented in the commercial arena. One of the hurdles to overcome is in manufacturing conductive inks which are chemically and physically stable, capable of drawing patterns with acceptable conductivity, and also capable of drawing patterns with acceptable adhesiveness with the substrates. The authors have briefly discussed problems involved in manufacturing nanometal inks to be used in various writing devices. There are numerous factors to be considered in manufacturing such inks. They are reducing agents, concentrations, oxidation, compact ability allowing good conductivity, and stability in suspension.

  19. Extending the Analysis of One-Dimensional Motion.

    ERIC Educational Resources Information Center

    Canderle, Luis H.

    1999-01-01

    Proposes that introductory physics courses extend the analysis of one-dimensional motion to a more sophisticated level. Gives four experimental setups and graphical analysis of the distance, velocity, and acceleration in the vertical and horizontal directions. (WRM)

  20. Transformation equation in three-dimensional photoelasticity.

    PubMed

    Ainola, Leo; Aben, Hillar

    2006-03-01

    Optical phenomena that occur when polarized light passes through an inhomogeneous birefringent medium are complicated, especially when the principal directions of the dielectric tensor rotate on the light ray. This case is typical in three-dimensional photoelasticity, in particular in integrated photoelasticity by stress analysis on the basis of measured polarization transformations. Analysis of polarization transformations in integrated photoelasticity has been based primarily on a system of two first-order differential equations. Using a transformed coordinate in the direction of light propagation, we have derived a single fourth-order differential equation of three-dimensional photoelasticity. For the case of uniform rotation of the principal directions we have obtained an analytical solution. PMID:16539073

  1. Direct cervicoplasty.

    PubMed

    Jordan, J Randall; Yellin, Seth

    2014-08-01

    Rejuvenation of the aging neck is one of the common reasons for the patients presented to facial plastic surgeons. In the author's opinion, most of these patients will be best served by a full rhytidectomy approach with periauricular incisions, skin flap undermining, and platysmaplasty. There is a subset of patients, however, who presented with complaints limited to the so-called Turkey Gobbler deformity, and who do not wish to undergo a full rhytidectomy approach. These patients may be well served by a lesser procedure such as a direct cervicoplasty or submentoplasty. The advantages of this approach include shorter operative time, faster recovery, and lower complication rates. The primary disadvantage of these more limited approaches is that there is an anterior cervical scar that may be visible under some conditions. This article will review the multiple options for skin incisions as well as details of the technique that the authors have found may lead to a successful rejuvenation of the submental region. PMID:25076453

  2. Dimensionality switching in molecule-based magnets.

    SciTech Connect

    Goddard, P. A.; Manson, J. L.; Singleton, J.; Franke, I.; Lancaster, T.; Steele, A. J.; Blundell, S. J.; Baines, C.; Pratt, F.; McDonald, R. D.; Valenzuela, O. A.; Sengupta, P.; Corbeyl, J. F.; Southerland, H. I.; Schlueter, J. A.

    2012-01-01

    Gaining control of the building blocks of magnetic materials and thereby achieving particular characteristics will make possible the design and growth of bespoke magnetic devices. While progress in the synthesis of molecular materials, and especially coordination polymers, represents a significant step towards this goal, the ability to tune the magnetic interactions within a particular framework remains in its infancy. Here we demonstrate a chemical method which achieves dimensionality selection via preferential inhibition of the magnetic exchange in an S=1/2 antiferromagnet along one crystal direction, switching the system from being quasi-two- to quasi-one-dimensional while effectively maintaining the nearest-neighbor coupling strength.

  3. Three-dimensional test requirement for random vibration testing

    NASA Technical Reports Server (NTRS)

    Chang, Kurng; Frydman, Abraham M.

    1987-01-01

    An approach to defining and evaluating three-dimensional vibration test requirements is discussed. The approach is used to develop the three-dimensional space random-vibration test requirements for missile components subjected to truck transportation environments. One-dimensional testing parameters such as power spectral density and overall g rms values for three mutually perpendicular directions represent the test requirements. The coherence characteristics between each input axis were established and adjusted empirically in an attempt to simulate the cross-correlation in three-dimensional random vibration excitation.

  4. A sparse grid based method for generative dimensionality reduction of high-dimensional data

    NASA Astrophysics Data System (ADS)

    Bohn, Bastian; Garcke, Jochen; Griebel, Michael

    2016-03-01

    Generative dimensionality reduction methods play an important role in machine learning applications because they construct an explicit mapping from a low-dimensional space to the high-dimensional data space. We discuss a general framework to describe generative dimensionality reduction methods, where the main focus lies on a regularized principal manifold learning variant. Since most generative dimensionality reduction algorithms exploit the representer theorem for reproducing kernel Hilbert spaces, their computational costs grow at least quadratically in the number n of data. Instead, we introduce a grid-based discretization approach which automatically scales just linearly in n. To circumvent the curse of dimensionality of full tensor product grids, we use the concept of sparse grids. Furthermore, in real-world applications, some embedding directions are usually more important than others and it is reasonable to refine the underlying discretization space only in these directions. To this end, we employ a dimension-adaptive algorithm which is based on the ANOVA (analysis of variance) decomposition of a function. In particular, the reconstruction error is used to measure the quality of an embedding. As an application, the study of large simulation data from an engineering application in the automotive industry (car crash simulation) is performed.

  5. On the four-dimensional formulation of dimensionally regulated amplitudes

    NASA Astrophysics Data System (ADS)

    Fazio, A. R.; Mastrolia, P.; Mirabella, E.; Torres Bobadilla, W. J.

    2014-12-01

    Elaborating on the four-dimensional helicity scheme, we propose a pure four-dimensional formulation (FDF) of the -dimensional regularization of one-loop scattering amplitudes. In our formulation particles propagating inside the loop are represented by massive internal states regulating the divergences. The latter obey Feynman rules containing multiplicative selection rules which automatically account for the effects of the extra-dimensional regulating terms of the amplitude. We present explicit representations of the polarization and helicity states of the four-dimensional particles propagating in the loop. They allow for a complete, four-dimensional, unitarity-based construction of -dimensional amplitudes. Generalized unitarity within the FDF does not require any higher-dimensional extension of the Clifford and the spinor algebra. Finally we show how the FDF allows for the recursive construction of -dimensional one-loop integrands, generalizing the four-dimensional open-loop approach.

  6. Vision in our three-dimensional world.

    PubMed

    Parker, Andrew J

    2016-06-19

    Many aspects of our perceptual experience are dominated by the fact that our two eyes point forward. Whilst the location of our eyes leaves the environment behind our head inaccessible to vision, co-ordinated use of our two eyes gives us direct access to the three-dimensional structure of the scene in front of us, through the mechanism of stereoscopic vision. Scientific understanding of the different brain regions involved in stereoscopic vision and three-dimensional spatial cognition is changing rapidly, with consequent influences on fields as diverse as clinical practice in ophthalmology and the technology of virtual reality devices.This article is part of the themed issue 'Vision in our three-dimensional world'. PMID:27269595

  7. Vision in our three-dimensional world

    PubMed Central

    2016-01-01

    Many aspects of our perceptual experience are dominated by the fact that our two eyes point forward. Whilst the location of our eyes leaves the environment behind our head inaccessible to vision, co-ordinated use of our two eyes gives us direct access to the three-dimensional structure of the scene in front of us, through the mechanism of stereoscopic vision. Scientific understanding of the different brain regions involved in stereoscopic vision and three-dimensional spatial cognition is changing rapidly, with consequent influences on fields as diverse as clinical practice in ophthalmology and the technology of virtual reality devices. This article is part of the themed issue ‘Vision in our three-dimensional world’. PMID:27269595

  8. Two-Dimensional NMR Lineshape Analysis

    PubMed Central

    Waudby, Christopher A.; Ramos, Andres; Cabrita, Lisa D.; Christodoulou, John

    2016-01-01

    NMR titration experiments are a rich source of structural, mechanistic, thermodynamic and kinetic information on biomolecular interactions, which can be extracted through the quantitative analysis of resonance lineshapes. However, applications of such analyses are frequently limited by peak overlap inherent to complex biomolecular systems. Moreover, systematic errors may arise due to the analysis of two-dimensional data using theoretical frameworks developed for one-dimensional experiments. Here we introduce a more accurate and convenient method for the analysis of such data, based on the direct quantum mechanical simulation and fitting of entire two-dimensional experiments, which we implement in a new software tool, TITAN (TITration ANalysis). We expect the approach, which we demonstrate for a variety of protein-protein and protein-ligand interactions, to be particularly useful in providing information on multi-step or multi-component interactions. PMID:27109776

  9. Two-Dimensional NMR Lineshape Analysis.

    PubMed

    Waudby, Christopher A; Ramos, Andres; Cabrita, Lisa D; Christodoulou, John

    2016-01-01

    NMR titration experiments are a rich source of structural, mechanistic, thermodynamic and kinetic information on biomolecular interactions, which can be extracted through the quantitative analysis of resonance lineshapes. However, applications of such analyses are frequently limited by peak overlap inherent to complex biomolecular systems. Moreover, systematic errors may arise due to the analysis of two-dimensional data using theoretical frameworks developed for one-dimensional experiments. Here we introduce a more accurate and convenient method for the analysis of such data, based on the direct quantum mechanical simulation and fitting of entire two-dimensional experiments, which we implement in a new software tool, TITAN (TITration ANalysis). We expect the approach, which we demonstrate for a variety of protein-protein and protein-ligand interactions, to be particularly useful in providing information on multi-step or multi-component interactions. PMID:27109776

  10. Three-dimensional separation and reattachment

    NASA Technical Reports Server (NTRS)

    Peake, D. J.; Tobak, M.

    1982-01-01

    The separation of three dimensional turbulent boundary layers from the lee of flight vehicles at high angles of attack is investigated. The separation results in dominant, large scale, coiled vortex motions that pass along the body in the general direction of the free stream. In all cases of three dimensional flow separation and reattachment, the assumption of continuous vector fields of skin friction lines and external flow streamlines, coupled with simple laws of topology, provides a flow grammar whose elemental constituents are the singular points: the nodes, spiral nodes (foci), and saddles. The phenomenon of three dimensional separation may be constrained as either a local or a global event, depending on whether the skin friction line that becomes a line of separation originates at a node or a saddle point.

  11. Three-dimensional separation and reattachment

    NASA Technical Reports Server (NTRS)

    Peake, D. J.; Tobak, M.

    1982-01-01

    The separation of three dimensional turbulent boundary layers from the lee of flight vehicles at high angles of attack is investigated. The separation results in dominant, large scale, coiled vortex motions that pass along the body in the general direction of the free stream. In all cases of three dimensional flow separation and reattachment, the assumption of continuous vector fields of skin friction lines and external flow streamlines, coupled with simple laws of topology, provides a flow grammar whose elemental constituents are the singular points: the nodes, spiral nodes (foci), and saddles. The phenomenon of three dimensional separation may be construed as either a local or a global event, depending on whether the skin friction line that becomes a line of separation originates at a node or a saddle point.

  12. Dimensionality Reduction Through Classifier Ensembles

    NASA Technical Reports Server (NTRS)

    Oza, Nikunj C.; Tumer, Kagan; Norwig, Peter (Technical Monitor)

    1999-01-01

    In data mining, one often needs to analyze datasets with a very large number of attributes. Performing machine learning directly on such data sets is often impractical because of extensive run times, excessive complexity of the fitted model (often leading to overfitting), and the well-known "curse of dimensionality." In practice, to avoid such problems, feature selection and/or extraction are often used to reduce data dimensionality prior to the learning step. However, existing feature selection/extraction algorithms either evaluate features by their effectiveness across the entire data set or simply disregard class information altogether (e.g., principal component analysis). Furthermore, feature extraction algorithms such as principal components analysis create new features that are often meaningless to human users. In this article, we present input decimation, a method that provides "feature subsets" that are selected for their ability to discriminate among the classes. These features are subsequently used in ensembles of classifiers, yielding results superior to single classifiers, ensembles that use the full set of features, and ensembles based on principal component analysis on both real and synthetic datasets.

  13. Higher-dimensional targeting

    SciTech Connect

    Kostelich, E.J. ); Grebogi, C. Department of Mathematics and Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742 ); Ott, E. Department of Electrical Engineering, University of Maryland, College Park, Maryland 20742 ); Yorke, J.A. )

    1993-01-01

    This paper describes a procedure to steer rapidly successive iterates of an initial condition on a chaotic attractor to a small target region about any prespecified point on the attractor using only small controlling perturbations. Such a procedure is called targeting.'' Previous work on targeting for chaotic attractors has been in the context of one- and two-dimensional maps. Here it is shown that targeting can also be done in higher-dimensional cases. The method is demonstrated with a mechanical system described by a four-dimensional mapping whose attractor has two positive Lyapunov exponents and a Lyapunov dimension of 2.8. The target is reached by making very small successive changes in a single control parameter. In one typical case, 35 iterates on average are required to reach a target region of diameter 10[sup [minus]4], as compared to roughly 10[sup 11] iterates without the use of the targeting procedure.

  14. Higher dimensional massive bigravity

    NASA Astrophysics Data System (ADS)

    Do, Tuan Q.

    2016-08-01

    We study higher-dimensional scenarios of massive bigravity, which is a very interesting extension of nonlinear massive gravity since its reference metric is assumed to be fully dynamical. In particular, the Einstein field equations along with the following constraint equations for both physical and reference metrics of a five-dimensional massive bigravity will be addressed. Then, we study some well-known cosmological spacetimes such as the Friedmann-Lemaitre-Robertson-Walker, Bianchi type I, and Schwarzschild-Tangherlini metrics for the five-dimensional massive bigravity. As a result, we find that massive graviton terms will serve as effective cosmological constants in both physical and reference sectors if a special scenario, in which reference metrics are chosen to be proportional to physical ones, is considered for all mentioned metrics. Thanks to the constancy property of massive graviton terms, consistent cosmological solutions will be figured out accordingly.

  15. Dimensionally self regulating materials

    NASA Astrophysics Data System (ADS)

    Furneaux, John E.

    1994-12-01

    This is a collaborative project between the - University of Oklahoma (OU) and Boston University (BU) studying the possibility of producing an infrared detector which integrates the function of a spectrometer. The successful implementation of these ideas could lead to a smart infrared detector. The system we are studying as a prototype is the two-dimensional electron system (2DES) GaAs-AlGaAs modulation-doped heterostructure system patterned with very narrow gates. This leads to a transition to an one-dimensional electron system (1 DES). We expect this system to be particularly sensitive to infrared radiation just at the crossover from a 2DES to a IDES.

  16. Reconstruction of objects by direct demodulation

    NASA Astrophysics Data System (ADS)

    Li, Ti-Pei; Wu, Mei

    1994-05-01

    High resolution reconstruction of complicated objects from incomplete and noisy data can be achieved by solving modulation equations iteratively under physical constraints. This direct demodulation method is a powerful technique for dealing with inverse problem, in general case. Spectral and image restorations and computerized tomography are only particular cases of general demodulation. It is possible to reconstruct an object in higher dimensional space from observations by a simple lower dimensional instrument through direct demodulation. Our simulations show that wide field and high resolution images of space hard X-rays and soft gamma rays can be obtained by a collimated non-position-sensitive detector without coded aperture masks.

  17. Three-dimensional simulation of vortex breakdown

    NASA Technical Reports Server (NTRS)

    Kuruvila, G.; Salas, M. D.

    1990-01-01

    The integral form of the complete, unsteady, compressible, three-dimensional Navier-Stokes equations in the conservation form, cast in generalized coordinate system, are solved, numerically, to simulate the vortex breakdown phenomenon. The inviscid fluxes are discretized using Roe's upwind-biased flux-difference splitting scheme and the viscous fluxes are discretized using central differencing. Time integration is performed using a backward Euler ADI (alternating direction implicit) scheme. A full approximation multigrid is used to accelerate the convergence to steady state.

  18. Two-dimensional tungsten oxide nanowire networks

    NASA Astrophysics Data System (ADS)

    Zhao, Y. M.; Li, Y. H.; Ahmad, I.; McCartney, D. G.; Zhu, Y. Q.; Hu, W. B.

    2006-09-01

    The authors report the synthesis and characterization of two-dimensional (2D) single crystalline nanonetworks consisting of tungsten oxide nanowires with diameters of ca. 20nm. The 2D networks are believed to result from the nanowire growth along the four crystallographic equivalent directions of ⟨110⟩ in the tetragonal WO2.9 structure. These 2D tungsten oxide networks may be potential precursors for creating 2D networks comprising WS2 nanotubes.

  19. Dimensional reduction transition

    SciTech Connect

    Kolb, E.

    1984-11-01

    In this conference on phase transitions in the early Universe the author discusses the transition from more than four space-time dimensions to four effective space-time dimensions; the dimensional reduction transition. The basic assumption is that the true dimensionality of space-time is more than four, and that at present the extra dimensions are compact and too small to be observable. The origin of the observed gauge symmetries from symmetries of a compact space has been proposed as a possible approach for the unification of particle physics and gravity. The common assumption in all models with extra dimensions is that the unseen dimensions are compactified to a very small size, usually taken to be of the order of the Planck length. To probe the structure of the extra dimensions would require energies of the Planck mass E = m/sub pl/ = 1.2 x 10/sup 19/GeV, and the early Universe may be the only source of such energies. The author will assume for initial conditions that all spatial dimensions are small, and that initially the Universe had N = 3 + D spatial dimensions. When the temperature fell below T = R/sub D//sup -1/, where R/sub D/ is the physical size of the compact extra dimensions, the space-time dimensionality of the Universe underwent a reduction to effectively a 4 space-time dimensional Universe, and dynamical effects of the extra dimensions became unimportant. In this paper I will discuss three possible consequences of this cosmological dimensional reduction; entropy production (inflation), magnetic monopole production, and stable, massive particle production. 14 refs., 4 figs.

  20. (1+2)-dimensional strongly nonlocal solitons

    SciTech Connect

    Ouyang Shigen; Guo Qi

    2007-11-15

    Approximate solutions of (1+2)-dimensional strongly nonlocal solitons (SNSs) are presented. It is shown that the power of a SNS in a nematic liquid crystal is in direct proportion to the second power of the degree of nonlocality, the power of a SNS in a nonlocal medium with a logarithmic nonlocal response is in inverse proportion to the second power of its beamwidth, and the power of a SNS in a nonlocal medium with an sth-power decay nonlocal response is in direct proportion to the (s+2)th power of the degree of nonlocality.

  1. Three-dimensional volume containing multiple two-dimensional information patterns

    NASA Astrophysics Data System (ADS)

    Nakayama, Hirotaka; Shiraki, Atsushi; Hirayama, Ryuji; Masuda, Nobuyuki; Shimobaba, Tomoyoshi; Ito, Tomoyoshi

    2013-06-01

    We have developed an algorithm for recording multiple gradated two-dimensional projection patterns in a single three-dimensional object. When a single pattern is observed, information from the other patterns can be treated as background noise. The proposed algorithm has two important features: the number of patterns that can be recorded is theoretically infinite and no meaningful information can be seen outside of the projection directions. We confirmed the effectiveness of the proposed algorithm by performing numerical simulations of two laser crystals: an octagonal prism that contained four patterns in four projection directions and a dodecahedron that contained six patterns in six directions. We also fabricated and demonstrated an actual prototype laser crystal from a glass cube engraved by a laser beam. This algorithm has applications in various fields, including media art, digital signage, and encryption technology.

  2. Three-dimensional volume containing multiple two-dimensional information patterns.

    PubMed

    Nakayama, Hirotaka; Shiraki, Atsushi; Hirayama, Ryuji; Masuda, Nobuyuki; Shimobaba, Tomoyoshi; Ito, Tomoyoshi

    2013-01-01

    We have developed an algorithm for recording multiple gradated two-dimensional projection patterns in a single three-dimensional object. When a single pattern is observed, information from the other patterns can be treated as background noise. The proposed algorithm has two important features: the number of patterns that can be recorded is theoretically infinite and no meaningful information can be seen outside of the projection directions. We confirmed the effectiveness of the proposed algorithm by performing numerical simulations of two laser crystals: an octagonal prism that contained four patterns in four projection directions and a dodecahedron that contained six patterns in six directions. We also fabricated and demonstrated an actual prototype laser crystal from a glass cube engraved by a laser beam. This algorithm has applications in various fields, including media art, digital signage, and encryption technology. PMID:23732947

  3. Three-dimensional volume containing multiple two-dimensional information patterns

    PubMed Central

    Nakayama, Hirotaka; Shiraki, Atsushi; Hirayama, Ryuji; Masuda, Nobuyuki; Shimobaba, Tomoyoshi; Ito, Tomoyoshi

    2013-01-01

    We have developed an algorithm for recording multiple gradated two-dimensional projection patterns in a single three-dimensional object. When a single pattern is observed, information from the other patterns can be treated as background noise. The proposed algorithm has two important features: the number of patterns that can be recorded is theoretically infinite and no meaningful information can be seen outside of the projection directions. We confirmed the effectiveness of the proposed algorithm by performing numerical simulations of two laser crystals: an octagonal prism that contained four patterns in four projection directions and a dodecahedron that contained six patterns in six directions. We also fabricated and demonstrated an actual prototype laser crystal from a glass cube engraved by a laser beam. This algorithm has applications in various fields, including media art, digital signage, and encryption technology. PMID:23732947

  4. Four-Dimensional Entropy from Three-Dimensional Gravity.

    PubMed

    Carlip, S

    2015-08-14

    At the horizon of a black hole, the action of (3+1)-dimensional loop quantum gravity acquires a boundary term that is formally identical to an action for three-dimensional gravity. I show how to use this correspondence to obtain the entropy of the (3+1)-dimensional black hole from well-understood conformal field theory computations of the entropy in (2+1)-dimensional de Sitter space. PMID:26317707

  5. Crawling on directional surfaces

    NASA Astrophysics Data System (ADS)

    Gidoni, P.; Noselli, G.; DeSimone, A.

    2014-05-01

    In this paper we study crawling locomotion based on directional frictional interactions, namely, frictional forces that are sensitive to the sign of the sliding velocity. Surface interactions of this type are common in biology, where they arise from the presence of inclined hairs or scales at the crawler/substrate interface, leading to low resistance when sliding 'along the grain', and high resistance when sliding 'against the grain'. This asymmetry can be exploited for locomotion, in a way analogous to what is done in cross-country skiing (classic style, diagonal stride). We focus on a model system, namely, a continuous one-dimensional crawler and provide a detailed study of the motion resulting from several strategies of shape change. In particular, we provide explicit formulae for the displacements attainable with reciprocal extensions and contractions (breathing), or through the propagation of extension or contraction waves. We believe that our results will prove particularly helpful for the study of biological crawling motility and for the design of bio-mimetic crawling robots.

  6. Finite-dimensional calculus

    NASA Astrophysics Data System (ADS)

    Feinsilver, Philip; Schott, René

    2009-09-01

    We discuss topics related to finite-dimensional calculus in the context of finite-dimensional quantum mechanics. The truncated Heisenberg-Weyl algebra is called a TAA algebra after Tekin, Aydin and Arik who formulated it in terms of orthofermions. It is shown how to use a matrix approach to implement analytic representations of the Heisenberg-Weyl algebra in univariate and multivariate settings. We provide examples for the univariate case. Krawtchouk polynomials are presented in detail, including a review of Krawtchouk polynomials that illustrates some curious properties of the Heisenberg-Weyl algebra, as well as presenting an approach to computing Krawtchouk expansions. From a mathematical perspective, we are providing indications as to how to implement infinite terms Rota's 'finite operator calculus'.

  7. Five-dimensional crystallography

    PubMed Central

    Schmidt, Marius; Graber, Tim; Henning, Robert; Srajer, Vukica

    2010-01-01

    A method for determining a comprehensive chemical kinetic mechanism in macromolecular reactions is presented. The method is based on five-dimensional crystallography, where, in addition to space and time, temperature is also taken into consideration and an analysis based on singular value decomposition is applied. First results of such a time-resolved crystallographic study are presented. Temperature-dependent time-resolved X-ray diffraction measurements were conducted on the newly upgraded BioCARS 14-ID-B beamline at the Advanced Photon Source and aimed at elucidating a comprehensive kinetic mechanism of the photoactive yellow protein photocycle. Extensive time series of crystallographic data were collected at two temperatures, 293 K and 303 K. Relaxation times of the reaction extracted from these time series exhibit measurable differences for the two temperatures, hence demonstrating that five-dimensional crystallography is feasible. PMID:20164643

  8. One-dimensional turbulence

    SciTech Connect

    Kerstein, A.R.

    1996-12-31

    One-Dimensional Turbulence is a new turbulence modeling strategy involving an unsteady simulation implemented in one spatial dimension. In one dimension, fine scale viscous and molecular-diffusive processes can be resolved affordably in simulations at high turbulence intensity. The mechanistic distinction between advective and molecular processes is thereby preserved, in contrast to turbulence models presently employed. A stochastic process consisting of mapping {open_quote}events{close_quote} applied to a one-dimensional velocity profile represents turbulent advection. The local event rate for given eddy size is proportional to the velocity difference across the eddy. These properties cause an imposed shear to induce an eddy cascade analogous in many respects to the eddy cascade in turbulent flow. Many scaling and fluctuation properties of self-preserving flows, and of passive scalars introduced into these flows, are reproduced.

  9. Two dimensional NMR spectroscopy

    SciTech Connect

    Schram, J.; Bellama, J.M.

    1988-01-01

    Two dimensional NMR represents a significant achievement in the continuing effort to increase solution in NMR spectroscopy. This book explains the fundamentals of this new technique and its analytical applications. It presents the necessary information, in pictorial form, for reading the ''2D NMR,'' and enables the practicing chemist to solve problems and run experiments on a commercial spectrometer by using the software provided by the manufacturer.

  10. The dimensionality of discourse

    PubMed Central

    Doxas, Isidoros; Dennis, Simon; Oliver, William L.

    2010-01-01

    The paragraph spaces of five text corpora, of different genres and intended audiences, in four different languages, all show the same two-scale structure, with the dimension at short distances being lower than at long distances. In all five cases the short-distance dimension is approximately eight. Control simulations with randomly permuted word instances do not exhibit a low dimensional structure. The observed topology places important constraints on the way in which authors construct prose, which may be universal. PMID:20194761

  11. Three Dimensional Dirac Semimetals

    NASA Astrophysics Data System (ADS)

    Zaheer, Saad

    2014-03-01

    Dirac points on the Fermi surface of two dimensional graphene are responsible for its unique electronic behavior. One can ask whether any three dimensional materials support similar pseudorelativistic physics in their bulk electronic spectra. This possibility has been investigated theoretically and is now supported by two successful experimental demonstrations reported during the last year. In this talk, I will summarize the various ways in which Dirac semimetals can be realized in three dimensions with primary focus on a specific theory developed on the basis of representations of crystal spacegroups. A three dimensional Dirac (Weyl) semimetal can appear in the presence (absence) of inversion symmetry by tuning parameters to the phase boundary separating a bulk insulating and a topological insulating phase. More generally, we find that specific rules governing crystal symmetry representations of electrons with spin lead to robust Dirac points at high symmetry points in the Brillouin zone. Combining these rules with microscopic considerations identifies six candidate Dirac semimetals. Another method towards engineering Dirac semimetals involves combining crystal symmetry and band inversion. Several candidate materials have been proposed utilizing this mechanism and one of the candidates has been successfully demonstrated as a Dirac semimetal in two independent experiments. Work carried out in collaboration with: Julia A. Steinberg, Steve M. Young, J.C.Y. Teo, C.L. Kane, E.J. Mele and Andrew M. Rappe.

  12. Three-dimensional sonoembryology.

    PubMed

    Benoit, Bernard; Hafner, Tomislav; Kurjak, Asim; Kupesić, Sanja; Bekavac, Ivanka; Bozek, Tomislav

    2002-01-01

    Three-dimensional (3D) ultrasound plays an important role in obstetrics, predominantly for assessing fetal anatomy. Presenting volume data in a standard anatomic orientation valuably assists both ultrasonographers and pregnant patients to recognize the anatomy more readily. Three-dimensional ultrasound is advantageous in studying normal embryonic and/or fetal development, as well as providing information for families at risk for specific congenital anomalies by confirming normality. This method offers advantages in assessing the embryo in the first trimester due to its ability to obtain multiplanar images through endovaginal volume acquisition. Rotation allows the systematic review of anatomic structures and early detection of fetal anomalies. Three-dimensional ultrasound imaging in vivo compliments pathologic and histologic evaluation of the developing embryo, giving rise to a new term: 3D sonoembryology. Rapid technological development will allow real-time 3D ultrasound to provide improved and expanded patient care on the one side, and increased knowledge of developmental anatomy on the other. PMID:11933658

  13. Direct Multizone System -- DMS1-275.

    ERIC Educational Resources Information Center

    Lennox Industries, Inc., Marshalltown, IA.

    Lennox Direct Multizone System as a new concept for integrated comfort control is described. The following areas of concern are included--(1) flexibility - typical applications, (2) detailed engineering data, (3) accessories, (4) approvals, (5) guide specifications, (6) dimensional drawings of a typical unit, (7) blower data, (8) mounting data,…

  14. Three-dimensional coherent structures of electrokinetic instability

    NASA Astrophysics Data System (ADS)

    Demekhin, E. A.; Nikitin, N. V.; Shelistov, V. S.

    2014-07-01

    A direct numerical simulation of the three-dimensional elektrokinetic instability near a charge-selective surface (electric membrane, electrode, or system of micro- or nanochannels) has been carried out and analyzed. A special finite-difference method has been used for the space discretization along with a semi-implicit 31/3-step Runge-Kutta scheme for the integration in time. The calculations employ parallel computing. Three characteristic patterns, which correspond to the overlimiting currents, are observed: (a) two-dimensional electroconvective rolls, (b) three-dimensional regular hexagonal structures, and (c) three-dimensional structures of spatiotemporal chaos, which are a combination of unsteady hexagons, quadrangles, and triangles. The transition from (b) to (c) is accompanied by the generation of interacting two-dimensional solitary pulses.

  15. Three-dimensional coherent structures of electrokinetic instability.

    PubMed

    Demekhin, E A; Nikitin, N V; Shelistov, V S

    2014-07-01

    A direct numerical simulation of the three-dimensional elektrokinetic instability near a charge-selective surface (electric membrane, electrode, or system of micro- or nanochannels) has been carried out and analyzed. A special finite-difference method has been used for the space discretization along with a semi-implicit 31/3-step Runge-Kutta scheme for the integration in time. The calculations employ parallel computing. Three characteristic patterns, which correspond to the overlimiting currents, are observed: (a) two-dimensional electroconvective rolls, (b) three-dimensional regular hexagonal structures, and (c) three-dimensional structures of spatiotemporal chaos, which are a combination of unsteady hexagons, quadrangles, and triangles. The transition from (b) to (c) is accompanied by the generation of interacting two-dimensional solitary pulses. PMID:25122393

  16. On three-dimensional quasi-Stäckel Hamiltonians

    NASA Astrophysics Data System (ADS)

    Marikhin, V. G.

    2014-05-01

    A three-dimensional integrable generalization of the Stäckel systems is proposed. A classification of such systems is obtained, which results in two families. The first family is the direct sum of the two-dimensional system which is equivalent to the representation of the Schottky-Manakov top in the quasi-Stäckel form and a Stäckel one-dimensional system. The second family is probably a new three-dimensional system. The system of hydrodynamic type, which we get from this family in the usual way, is a three-dimensional generalization of the Gibbons-Tsarev system. A generalization of the quasi-Stäckel systems to the case of any dimension is discussed.

  17. Rh-Catalyzed Intermolecular Syn-Carboamination of Alkenes via a Transient Directing Group

    PubMed Central

    Piou, Tiffany; Rovis, Tomislav

    2015-01-01

    Alkenes are the most ubiquitous pro-chiral functional groups accessible to synthetic chemists. For this reason, difunctionalization reactions of alkenes are particularly important, as they can be used to access highly complex molecular architectures.1,2 Stereoselective oxidation reactions, including dihydroxylation, aminohydroxylation and halogenation reactions,3,4,5,6 are well-established methods for functionalizing alkenes. However, the intermolecular incorporation of both carbon- and nitrogen-based functionalities stereoselectively across an alkene has not been reported. In this manuscript, we describe the Rh(III)-catalyzed syn carboamination of alkenes initiated by a C–H activation event that uses enoxyphthalimides as the source of the carbon and the nitrogen functionalities. The reaction methodology allows for the stereospecific formation of one C–C and one C–N bond across an alkene in a fully intermolecular sense, which is unprecedented. The reaction design involves the in situ generation of a bidentate directing group and the use of a novel cyclopentadienyl ligand to control the reactivity of Rh(III). The results provide a new route to functionalized alkenes and are expected to lead to the more convergent and stereoselective assembly of amine-containing acyclic molecules. PMID:26503048

  18. Rhodium-catalysed syn-carboamination of alkenes via a transient directing group.

    PubMed

    Piou, Tiffany; Rovis, Tomislav

    2015-11-01

    Alkenes are the most ubiquitous prochiral functional groups--those that can be converted from achiral to chiral in a single step--that are accessible to synthetic chemists. For this reason, difunctionalization reactions of alkenes (whereby two functional groups are added to the same double bond) are particularly important, as they can be used to produce highly complex molecular architectures. Stereoselective oxidation reactions, including dihydroxylation, aminohydroxylation and halogenation, are well established methods for functionalizing alkenes. However, the intermolecular incorporation of both carbon- and nitrogen-based functionalities stereoselectively across an alkene has not been reported. Here we describe the rhodium-catalysed carboamination of alkenes at the same (syn) face of a double bond, initiated by a carbon-hydrogen activation event that uses enoxyphthalimides as the source of both the carbon and the nitrogen functionalities. The reaction methodology allows for the intermolecular, stereospecific formation of one carbon-carbon and one carbon-nitrogen bond across an alkene, which is, to our knowledge, unprecedented. The reaction design involves the in situ generation of a bidentate directing group and the use of a new cyclopentadienyl ligand to control the reactivity of rhodium. The results provide a new way of synthesizing functionalized alkenes, and should lead to the convergent and stereoselective assembly of amine-containing acyclic molecules. PMID:26503048

  19. One-Dimensionality and Whiteness

    ERIC Educational Resources Information Center

    Calderon, Dolores

    2006-01-01

    This article is a theoretical discussion that links Marcuse's concept of one-dimensional society and the Great Refusal with critical race theory in order to achieve a more robust interrogation of whiteness. The author argues that in the context of the United States, the one-dimensionality that Marcuse condemns in "One-Dimensional Man" is best…

  20. Two-Dimensional Versus Three-Dimensional Conceptualization in Astronomy Education

    NASA Astrophysics Data System (ADS)

    Reynolds, Michael David

    Numerous science conceptual issues are naturally three-dimensional. Classroom presentations are often two -dimensional or at best multidimensional. Several astronomy topics are of this nature, e. g. mechanics of the phases of the moon. Textbooks present this three-dimensional topic in two-dimensions; such is often the case in the classroom. This study was conducted to examine conceptions exhibited by pairs of like-sex 11th grade standard physics students as they modeled the lunar phases. Student pairs, 13 male and 13 female, were randomly selected and assigned. Pairing comes closer to classroom emulation, minimizes needs for direct probes, and pair discussion is more likely to display variety and depth. Four hypotheses were addressed: (1) Participants who model three-dimensionally will more likely achieve a higher explanation score. (2) Students who experienced more earth or physical science exposure will more likely model three-dimensionally. (3) Pairs that exhibit a strong science or mathematics preference will more likely model three-dimensionally. (4) Males will model in three dimensions more than females. Students provided background information, including science course exposure and subject preference. Each pair laid out a 16-card set representing two complete lunar phase changes. The pair was asked to explain why the phases occur. Materials were provided for use, including disks, spheres, paper and pen, and flashlight. Activities were videotaped for later evaluation. Statistics of choice was a correlation determination between course preference and model type and ANOVA for the other hypotheses. It was determined that pairs who modeled three -dimensionally achieved a higher score on their phases mechanics explanation at p <.05 level. Pairs with earth science or physical science exposure, those who prefer science or mathematics, and male participants were not more likely to model three-dimensionally. Possible reasons for lack of significance was small sample