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Sample records for double agents structure

  1. Intercalation and structural aspects of macroRAFT agents into MgAl layered double hydroxides

    Directory of Open Access Journals (Sweden)

    Dessislava Kostadinova

    2016-12-01

    Full Text Available Increasing attention has been devoted to the design of layered double hydroxide (LDH-based hybrid materials. In this work, we demonstrate the intercalation by anion exchange process of poly(acrylic acid (PAA and three different hydrophilic random copolymers of acrylic acid (AA and n-butyl acrylate (BA with molar masses ranging from 2000 to 4200 g mol−1 synthesized by reversible addition-fragmentation chain transfer (RAFT polymerization, into LDH containing magnesium(II and aluminium(III intralayer cations and nitrates as counterions (MgAl-NO3 LDH. At basic pH, the copolymer chains (macroRAFT agents carry negative charges which allowed the establishment of electrostatic interactions with the LDH interlayer and their intercalation. The resulting hybrid macroRAFT/LDH materials displayed an expanded interlamellar domain compared to pristine MgAl-NO3 LDH from 1.36 nm to 2.33 nm. Depending on the nature of the units involved into the macroRAFT copolymer (only AA or AA and BA, the intercalation led to monolayer or bilayer arrangements within the interlayer space. The macroRAFT intercalation and the molecular structure of the hybrid phases were further characterized by Fourier transform infrared (FTIR and solid-state 13C, 1H and 27Al nuclear magnetic resonance (NMR spectroscopies to get a better description of the local structure.

  2. New nontoxic double information magnetic and fluorescent MRI agent

    Energy Technology Data Exchange (ETDEWEB)

    Kublickas, Augustinas; Rastenien, Loreta; Bloznelytė-Plėšnienė, Laima; Karalius, Nerijus [Liquid Crystals Laboratory, Institute of Science and Technology, Lithuanian University of Educational Sciences (Lithuania); Franckevinius, Marius [Institute of Physics, Center for Physical Sciences and Technology (Lithuania); Loudos, George [Technological Educational Institute of Athens (Greece); Fahmi, Amir [Materials Science, Rhein-Waal University of Applied Sciences (Germany); Vaisnoras, Rimas [Liquid Crystals Laboratory, Institute of Science and Technology, Lithuanian University of Educational Sciences (Lithuania)

    2015-05-18

    Today sensitivity of the MRI is not enough compared to the nuclear methods, such as positron emission tomography and single photon emission computed tomography. Challenging its extension to the nanometre scale could provide a powerful new tool for the nanosciences and nanomedicine. To achieve this potential, innovative new detection strategies are required to overcome the severe sensitivity limitations of conventional inductive detection techniques. In this regard, we perform embodiment of nanodiamonds in dendrimer matrix as additional fluorescent optical and magnetic (together with Gd (III)) imaging modalities of the MRI. New hybrid system composed of dendrimer-gadolinium Gd (III) - nanodiamond as a new contrast agent for MRI was studied. Poly(propilene-imine) PPI and poly(amidoamine) PAMAM dendrimers with fixed size of nanocavities will be used as host material to protect organism against the toxicity and also to increase relaxivity of contrast agent (resulting in the increases MRI resolution). Nanodiamond as biocompatible platform to functionalize the contrast agent will be used. This bimodal hybrid system enables to use smaller amount of the contrast agent and could permit the decrease of the lateral toxicity. This bimodal hybrid system as MRI agent is providing double information (magnetic and fluorescent) about the damaged cell.

  3. New nontoxic double information magnetic and fluorescent MRI agent

    International Nuclear Information System (INIS)

    Kublickas, Augustinas; Rastenien, Loreta; Bloznelytė-Plėšnienė, Laima; Karalius, Nerijus; Franckevinius, Marius; Loudos, George; Fahmi, Amir; Vaisnoras, Rimas

    2015-01-01

    Today sensitivity of the MRI is not enough compared to the nuclear methods, such as positron emission tomography and single photon emission computed tomography. Challenging its extension to the nanometre scale could provide a powerful new tool for the nanosciences and nanomedicine. To achieve this potential, innovative new detection strategies are required to overcome the severe sensitivity limitations of conventional inductive detection techniques. In this regard, we perform embodiment of nanodiamonds in dendrimer matrix as additional fluorescent optical and magnetic (together with Gd (III)) imaging modalities of the MRI. New hybrid system composed of dendrimer-gadolinium Gd (III) - nanodiamond as a new contrast agent for MRI was studied. Poly(propilene-imine) PPI and poly(amidoamine) PAMAM dendrimers with fixed size of nanocavities will be used as host material to protect organism against the toxicity and also to increase relaxivity of contrast agent (resulting in the increases MRI resolution). Nanodiamond as biocompatible platform to functionalize the contrast agent will be used. This bimodal hybrid system enables to use smaller amount of the contrast agent and could permit the decrease of the lateral toxicity. This bimodal hybrid system as MRI agent is providing double information (magnetic and fluorescent) about the damaged cell.

  4. Ac-induced disruption of the doubleDs structure in tomato

    NARCIS (Netherlands)

    Rommens, Caius M.T.; Biezen, Erik A. van der; Ouwerkerk, Pieter B.F.; Nijkamp, H. John J.; Hille, Jacques

    1991-01-01

    The maize doubleDs element is stably maintained in the tomato genome. Upon the subsequent introduction of Ac into a plant containing doubleDs, disruption of the doubleDs structure and DNA rearrangements at the site of the doubleDs element were observed. No indications were obtained for excision of

  5. Pion double charge exchange and nuclear structure

    International Nuclear Information System (INIS)

    Ginocchio, J.N.

    1987-01-01

    Pion double charge exchange to both the double-analog state and the ground state is studied for medium weight nuclei. The relative cross section of these two transitions and the importance of nuclear structure as a function of pion kinetic energy is examined. 16 figs., 5 tabs

  6. The Synergy of Double Cross-linking Agents on the Properties of Styrene Butadiene Rubber Foams

    Science.gov (United States)

    Shao, Liang; Ji, Zhan-You; Ma, Jian-Zhong; Xue, Chao-Hua; Ma, Zhong-Lei; Zhang, Jing

    2016-11-01

    Sulfur (S) cross-linking styrene butadiene rubber (SBR) foams show high shrinkage due to the cure reversion, leading to reduced yield and increased processing cost. In this paper, double cross-linking system by S and dicumyl peroxide (DCP) was used to decrease the shrinkage of SBR foams. Most importantly, the synergy of double cross-linking agents was reported for the first time to our knowledge. The cell size and its distribution of SBR foams were investigated by FESEM images, which show the effect of DCP content on the cell structure of the SBR foams. The relationships between shrinkage and crystalline of SBR foams were analyzed by the synergy of double cross-linking agents, which were demonstrated by FTIR, Raman spectra, XRD, DSC and TGA. When the DCP content was 0.6 phr, the SBR foams exhibit excellent physical and mechanical properties such as low density (0.223 g/cm3), reduced shrinkage (2.25%) and compression set (10.96%), as well as elevated elongation at break (1.78 × 103%) and tear strength (54.63 N/mm). The results show that these properties are related to the double cross-linking system of SBR foams. Moreover, the double cross-linking SBR foams present high electromagnetic interference (EMI) shielding properties compared with the S cross-linking SBR foams.

  7. Generalized Double Ring Network Structures

    DEFF Research Database (Denmark)

    Pedersen, Jens Myrup; Patel, A.; Knudsen, Thomas Phillip

    2004-01-01

    ) structures. Results on the Generalized Petersen Graphs provide necessary and sufficient conditions for a N2R(p; q) structure to be node or edge symmetric, and a table free routing scheme always determining a shortest path between any pair of nodes is presented. Next, the performance in terms of average...

  8. Simulation of plasma double-layer structures

    International Nuclear Information System (INIS)

    Borovsky, J.E.; Joyce, G.

    1982-01-01

    Electrostatic plasma double layers are numerically simulated by means of a magnetized 2 1/2-dimensional particle-in-cell method. The investigation of planar double layers indicates that these one-dimensional potential structures are susceptible to periodic disruption by instabilities in the low-potential plasmas. Only a slight increase in the double-layer thickness with an increase in its obliqueness to the magnetic field is observed. Weak magnetization results in the double-layer electric-field alignment of accelerated particles and strong magnetization results in their magnetic-field alignment. The numerial simulations of spatially periodic two-dimensional double layers also exhibit cyclical instability. A morphological invariance in two-dimensional double layers with respect to the degree of magnetization implies that the potential structures scale with Debye lengths rather than with gyroradii. Electron-beam excited electrostatic electron-cyclotron waves and (ion-beam driven) solitary waves are present in the plasmas adjacent to the double layers

  9. Esthetic double-structure fixed partial dentures.

    Science.gov (United States)

    Ravasini, G; Ugolini, G; Ravasini, F

    1996-04-01

    A new technical procedure for fixed partial dentures and single inlays allows the use of a metal supporting structure with independent ceramic coverage. The advantages of the technique are the bonding of metal to beveled dentinal margins with conventional cement and the acid-etched resin composite cementation of the ceramic, which permits more conservative preparation of the teeth. The complexity of the structure, the laboratory costs, and the doubling of the cementation procedures are the main disadvantages of the technique.

  10. Improvements on the synthesis and properties of fluorinated polyimide-clay nanocomposites by using double-swelling agents

    International Nuclear Information System (INIS)

    Wang, H.-W.; Dong, R.-X.; Chu, H.-C.; Chang, K.-C.; Lee, W.-C.

    2005-01-01

    Polyimide (6FBpA-6FDA)-montmorillonite nanocomposites (PiCN) were synthesized from modified montmorillonite (MMT) and poly(amic acid), using single- and double-swelling agents. The silicate layers of clay in the matrix of 6FBpA-6FDA were intercalated and became more exfoliated when double (DAETPB-ODA) swelling agents were used to modify the montmorillonite. Structures of exfoliation were confirmed by wide-angle X-ray diffraction (WAXRD) and transmission electron microscopy (TEM). The improved exfoliation of nanocomposites by the double-swelling agents resulted in enhanced thermal and mechanical properties. In particular, the maximum increase in T d , T g , and storage modulus of these nanocomposites was found to be those with addition of 5.0 wt% DAETPB-ODA modified-MMT. The moisture absorption of these nanocomposites was also reduced by the addition of double-swelling agent-modified MMT. The dielectric properties of PiCN in the form of film with MMT loading from 1.0 to 5.0 wt% were measured under frequencies of 100 Hz-1 MHz at 35-150 deg. C. Reduced dielectric constants were observed for these fluorinated polyimide-clay nanocomposites

  11. Multiferroic Compounds with Double-Perovskite Structures

    Directory of Open Access Journals (Sweden)

    Noriya Ichikawa

    2011-01-01

    Full Text Available New multiferroic compounds with double-perovskite structures were synthesized. Bi2NiMnO6 was synthesized in bulk form by high-pressure synthesis and also in a thin-film form by epitaxial growth. The material showed both ferromagnetic and ferroelectric properties, i.e., the multiferroic property at low temperature. Bi2FeCrO6 was also fabricated in a (1 1 1 oriented BiFeO3/BiCrO3 artificial superlattice, with a 1/1 stacking period. The superlattice film showed ferromagnetic behavior and polarization switching at room temperature. In the compounds, Bi3+ ion, located at the A site in the perovskite structure, caused ferroelectric structural distortion, and the B-site ordering of the Ni2+ and Mn4+ ions (Fe3+ and Cr3+ ions in a rock-salt configuration led to ferromagnetism according to the Kanamori-Goodenough rule.

  12. Effervescent agents in the double contrast examination of the stomach

    International Nuclear Information System (INIS)

    Virkkunen, P.; Kreula, J.

    1981-01-01

    The buffer capacities of the BaSO 4 contrast media are poor. Yet the pH changes caused by effervescent agents or gastric contents are insignificant for mucosal adsorption. The increase of the viscosity and decrease of the density impair the results of the examination. (Auth.)

  13. Perspectival Structure and Agentive Self-location

    DEFF Research Database (Denmark)

    Alsmith, Adrian

    2017-01-01

    -locating, in the sense that an episode of perceptual experience may be sufficient for thoughts about one’s location. In this chapter, I argue that perceptual experience can conceivably be perspectivally structured without locating its subject and that any account of spatial self-consciousness based upon a simple...... inference from the perspectival structure of perceptual experience faces serious difficulties. If this is correct, then we ought to look beyond the perspectival structure of perceptual experience in order to account for its self-locating content. The Agentive Self-Location Thesis, as developed here...

  14. Status report from 'double agent HLA': health and disease.

    Science.gov (United States)

    Dyer, Philip; McGilvray, Roger; Robertson, Victoria; Turner, David

    2013-08-01

    The human major histocompatibility complex is a multi-gene ~4 Mb of DNA including the highly polymorphic HLA genes which are fundamental in effecting a healthy immune response. Detailed knowledge of the structure and function of HLA genes and their alleles and HLA proteins and their allotypes has rapidly evolved because of their role in clinical transplantation. A significant additional finding is the association or linkage of a wide range of diseases with HLA. We review the function of HLA and the history of disease association studies and focus on specific informative examples in the context of recent genome-wide screening analyses. Crown Copyright © 2012. Published by Elsevier Ltd. All rights reserved.

  15. Nuclear structure and double beta decay

    International Nuclear Information System (INIS)

    Vogel, P.

    1988-01-01

    Double beta decay is a rare transition between two nuclei of the same mass number A involving a change of the nuclear charge Z by two units. It has long been recognized that the Oν mode of double beta decay, where two electrons and no neutrinos are emitted, is a powerful tool for the study of neutrino properties. Its observation would constitute a convincing proof that there exists a massive Majorana neutrino which couples to electrons. Double beta decay is a process involving an intricate mixture of particle physics and physics of the nucleus. The principal nuclear physics issues have to do with the evaluation of the nuclear matrix elements responsible for the decay. If the authors wish to arrive at quantitative answers for the neutrino properties the authors have no choice but to learn first how to understand the nuclear mechanisms. The authors describe first the calculation of the decay rate of the 2ν mode of double beta decay, in which two electrons and two antineutrinos are emitted

  16. Synthesis and structure refinement of layered double hydroxides of ...

    Indian Academy of Sciences (India)

    Administrator

    )-oxygen bond in this compound as opposed to the Co–Ga hydroxide. These observations are supported by IR spectra. Keywords. Layered double hydroxide; Rietveld refinement; urea hydrolysis. 1. Introduction. The synthesis, structure and properties of layered double hydroxides (LDHs) have been widely studied in recent.

  17. Hierarchical Supervisor and Agent Routing Algorithm in LEO/MEO Double-layered Optical Satellite Network

    Science.gov (United States)

    Li, Yongjun; Zhao, Shanghong

    2016-09-01

    A novel routing algorithm (Hierarchical Supervisor and Agent Routing Algorithm, HSARA) for LEO/MEO (low earth orbit/medium earth orbit) double-layered optical satellite network is brought forward. The so-called supervisor (MEO satellite) is designed for failure recovery and network management. LEO satellites are grouped according to the virtual managed field of MEO which is different from coverage area of MEO satellite in RF satellite network. In each LEO group, one LEO satellite which has maximal persistent link with its supervisor is called the agent. A LEO group is updated when this optical inter-orbit links between agent LEO satellite and the corresponding MEO satellite supervisor cuts off. In this way, computations of topology changes and LEO group updating can be decreased. Expense of routing is integration of delay and wavelength utilization. HSARA algorithm simulations are implemented and the results are as follows: average network delay of HSARA can reduce 21 ms and 31.2 ms compared with traditional multilayered satellite routing and single-layer LEO satellite respectively; LEO/MEO double-layered optical satellite network can cover polar region which cannot be covered by single-layered LEO satellite and throughput is 1% more than that of single-layered LEO satellite averagely. Therefore, exact global coverage can be achieved with this double-layered optical satellite network.

  18. Double Structure Broadband Leaky Wave Antenna

    NARCIS (Netherlands)

    Neto, A.; Dijk, R. van; Filippo, M.

    2011-01-01

    A leaky wave antenna contains a first and a second leaky wave antenna structure back to back against each other. Each antenna structure comprises a dielectric body and an elongated wave carrying structure, such as a slot in a conductive ground plane. In each leaky wave antenna structure the body and

  19. The simulation of plasma double-layer structures

    International Nuclear Information System (INIS)

    Borovsky, J.E.; Joyce, G.

    1982-01-01

    Electrostatic plasma double layers are numerically simulated by means of a magnetized 2 1/2-dimensional particle-in-cell method. The investigation of planar double layers indicates that these one-dimensional potential structures are susceptible to periodic disruption by instabilities in the low-potential plasmas. Only a slight increase in the double-layer thickness with an increase in its obliqueness to the magnetic field is observed. Weak magnetization results in the double-layer electric field alignment of accelerated particles and strong magnetization results in their magnetic field alignment. The numerical simulations of spatially periodic two-dimensional double layers also exhibit cyclical instability. A morphological invariance in two-dimensional double layers with respect to the degree of magnetization implies that the potential structures scale with Debye lengths rather than with gyroradii. Electron-beam excited electrostatic electron-cyclotron waves and (ion-beam driven) solitary waves are present in the plasmas adjacent to the double layers. (Auth.)

  20. Double fine structure in the cluster radioactivity of 252Cf

    International Nuclear Information System (INIS)

    Dumitrescu, O.; Bulboaca, I.; Carstoiu, F.; Sandulescu, A.

    1995-07-01

    Within the one level R - matrix approach the relative intensities in the double fine structure of several radioactive decays of 252 Cf → 146 Ba + 106 Mo fission channel are calculated and compared with the experimental data. The internal wave functions are supposed to be given by the Wigner D -functions. The relative motion wave functions are calculated from a nucleus -nucleus double - folding model potential obtained with the M3Y interaction. (author). 83 refs, 3 figs

  1. On Rational Design of Double Hull Tanker Structures against Collision

    DEFF Research Database (Denmark)

    Paik, Jeom Kee; Chung, Jang Young; Choe, Ich Hung

    1999-01-01

    This paper is a summary of recent research and development in areas related to the design technology for double hull tanker structures against low energy collision, jointly undertaken by the Hyundai Heavy Industries, the American Bureau of Shipping, the Technical University of Denmark and the Pusan...... National University. The goal of the study has been to establish a rational practical design oriented approach to collision resistance that is more sophisticated than previous theoretically based procedures and less complicated than conventional nonlinear finite element methods. The main tasks undertaken...... in the present study were (i) developing a framework for the collision design procedure for double hull tanker structures, (ii) experimental investigation of the structural crashworthiness of the collided vessels in collision or stranding, using double skinned structural models, (iii) validation of the special...

  2. Impact response analysis of a coaxial double-pipe structure

    International Nuclear Information System (INIS)

    Nishida, Akemi; Iigaki, Kazuhiko

    2010-01-01

    A coaxial double-pipe structure is to be used in the main primary coolant system of a high-temperature gas-cooled reactor. In order to study the vibration characteristics of a coaxial double-pipe structure, hammering tests were performed on test models of a coaxial double-pipe structure. Because high frequency components were included in the structural responses of this type of tests, impact response analysis was performed by using spectral element that has high precision in the high frequency domain. By the comparison between analysis results and experiment results, it was confirmed that the analytical results had good agreement with the experimental results. Also we performed parametric studies about damping properties of the test models. As a result of having identified the damping properties using experiment results, it was found that inner pipe and outer pipe had different damping properties. In this paper, these results were shown. (author)

  3. Doubling the Life of Concrete Structures

    Energy Technology Data Exchange (ETDEWEB)

    Pesic, Batric [Univ. of Idaho, Moscow, ID (United States); Raja, Krishnan [Univ. of Idaho, Moscow, ID (United States); Xi, Yumping [Univ. of Colorado, Boulder, CO (United States); Jun, Jiheon [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2017-07-24

    Overall objective of the project was to study the fundamental properties of concrete (with and without steel reinforcement) with respect to chemical and physical parameters that can influence its structural integrity.

  4. Transmission of Sound Through Double-Plate Panel Structures

    DEFF Research Database (Denmark)

    Dickow, Kristoffer Ahrens; Domadiya, Parthkumar Gandalal; Andersen, Lars

    2011-01-01

    In the present paper, a finite-element model of a double-plate panel is implemented to investigate the transmission of sound through a simple lightweight structure. A numerical study is performed of the following three coupling configurations: 1) Structure-borne sound via plate-stud-plate structu......In the present paper, a finite-element model of a double-plate panel is implemented to investigate the transmission of sound through a simple lightweight structure. A numerical study is performed of the following three coupling configurations: 1) Structure-borne sound via plate......-stud-plate structures without air inclusions; 2) transmission via the plate-stud-plate structure including the internal acoustic medium; 3) transmission via plate-air-plate connections in a double-leaf panel with no structural coupling between the two plates. A fully coupled analysis is performed in which solid finite...... elements are adopted for the structure, whereas the acoustic medium is discretized into fluid continuum elements. The computations are carried out in frequency domain in the low frequency range and the load acts as a diffuse sound field on one side of the panel....

  5. Double graphene-layer structures for adaptive devices

    Science.gov (United States)

    Mitin, V.; Ryzhii, V.; Otsuji, T.; Ryzhii, M.; Shur, M. S.

    2014-06-01

    Among different carbon materials (diamond, graphite, fullerene, carbon nanotubes), graphene and more complex graphene-based structures attracted a considerable attention. The gapless energy spectrum of graphene implies that graphene can absorb and emit photons with rather low energies corresponding to terahertz (THz) and infrared (IR) ranges of the electromagnetic spectrum. In this presentation, the discussion is focused on the double-graphene-layer (double-GL) structures. In these structures, GLs are separated by a barrier layer (Boron Nitride, Silicon Carbide, and so on). Applying voltage between GLs, one can realize the situation when one GL is filled with electrons while the other is filled with holes. The variation of the applied voltage leads to the variations of the Fermi energies and, hence, to the change of the interband and intraband absorption of electromagnetic radiation and to the variation of the tunneling current. The plasma oscillations in double-GL structures exhibit interesting features. This is mainly because each GL serves as the gate for the other GL. The spectrum of the plasma oscillations in the double-GL structures falls into the terahertz range (THz) of frequencies and can be effectively controlled by the bias voltage. In this paper, we discuss the effects of the excitation of the plasma oscillations by incoming THz radiation and by optical radiation of two lasers with close frequencies as well as negative differential conductivity of the N-type and Z-type. These effects can be used in resonant THz detectors and THz photomixers. The models of devices based on double-GL structures as well as their characteristics are discussed.

  6. NO and SCN -intercalated layered double hydroxides: structure and ...

    Indian Academy of Sciences (India)

    2018-02-05

    Feb 5, 2018 ... Nitrite ion; thiocyanate ion; layered double hydroxide; structure refinement. 1. Introduction. The layered .... the synthesis. The [Zn−Al−NO2] and [Zn–Al–SCN] LDHs were synthe- sized by coprecipitation at constant pH = 8 and temperature of 60 ... were obtained by the difference Fourier method embedded in.

  7. Improved double emulsion technology for fabricating autofluorescent microcapsules as novel ultrasonic/fluorescent dual-modality contrast agents.

    Science.gov (United States)

    Gong, An; Ma, Xuehua; Xiang, Lingchao; Ren, Wenzhi; Shen, Zheyu; Wu, Aiguo

    2014-04-01

    The aim of this study is to explore an improved double emulsion technology with in situ reaction of lysine (Lys) and glutaraldehyde (GA) for fabricating autofluorescent Lys-poly(lactic-co-glycolic acid)-GA (Lys-PLGA-GA) microcapsules as novel ultrasonic/fluorescent dual-modality contrast agents. Scanning electron microscope (SEM) and static light scattering (SLS) results show that 80% of the Lys-PLGA-GA microcapsules are larger than 1.0 μm and 90% of them are smaller than 8.9 μm. SEM and laser confocal scanning microscope (LCSM) data demonstrate that the structure of our Lys-PLGA-GA microcapsules is hollow. Compared with the FT-IR spectrum of PLGA microcapsules, a new peak at 1,644 cm(-1) in that of Lys-PLGA-GA microcapsules confirms the formed Schiff base in Lys-PLGA-GA microcapsules. LCSM images and fluorescence spectra show that our Lys-PLGA-GA microcapsules exhibit bright and stable autofluorescence without conjugation to any fluorescent agent, which can be ascribed to the n-π transitions of the CN bonds in the formed Schiff base. Our autofluorescent Lys-PLGA-GA microcapsules might have more wide applications than traditional fluorescent dyes because their excitation and emission spectra are both broad. The fluorescence intensity can also be tuned by the feeding amount of Lys and GA. The MTT assays reveal that the autofluorescent microcapsules are biocompatible. The results of fluorescent imaging in cells and in vitro ultrasonic imaging demonstrate the feasibility of our autofluorescent Lys-PLGA-GA microcapsules as ultrasonic/fluorescent dual-modality contrast agents. This novel ultrasonic/fluorescent dual-modality contrast agent might have potential for a variety of biological and medical applications. Copyright © 2014 Elsevier B.V. All rights reserved.

  8. Content modification attacks on consensus seeking multi-agent system with double-integrator dynamics

    Science.gov (United States)

    Dong, Yimeng; Gupta, Nirupam; Chopra, Nikhil

    2016-11-01

    In this paper, vulnerability of a distributed consensus seeking multi-agent system (MAS) with double-integrator dynamics against edge-bound content modification cyber attacks is studied. In particular, we define a specific edge-bound content modification cyber attack called malignant content modification attack (MCoMA), which results in unbounded growth of an appropriately defined group disagreement vector. Properties of MCoMA are utilized to design detection and mitigation algorithms so as to impart resilience in the considered MAS against MCoMA. Additionally, the proposed detection mechanism is extended to detect the general edge-bound content modification attacks (not just MCoMA). Finally, the efficacies of the proposed results are illustrated through numerical simulations.

  9. Professing the teacher's profession. Between the philosopher and the double agent

    Directory of Open Access Journals (Sweden)

    Jose Garcia Molina

    2013-03-01

    Full Text Available From its beginnings the Bolonya plan has generated a wide debate around its market-oriented and neoliberal tendencies, present at all levels of the university institution. The tension between idealized views of the university, probably impossible to realize, and utilitarian views, clearly unjust, centers the focus of the debate. These tensions bring to light the pluriversity and multiversity that traverse the contemporary university. To what does the university and its professionals still give form? Taking as a reference some teachings by Alain Badiou and Jacques Derrida, we try to think the university situation, and the links between professing, the professor, and the profession. The analysis attempts to synthesize, in a different way, what the university can do or can be today. This synthesis leads us to think the function of the university teacher using the metaphors of the philosopher and the double agent.

  10. Antifreeze glycoprotein agents: structural requirements for activity.

    Science.gov (United States)

    Carvajal-Rondanelli, Patricio A; Marshall, Sergio H; Guzman, Fanny

    2011-11-01

    Antifreeze glycoproteins (AFGPs) are considered to be the most efficient means to reduce ice damage to cell tissues since they are able to inhibit growth and crystallization of ice. The key element of antifreeze proteins is to act in a non-colligative manner which allows them to function at concentrations 300-500 times lowers than other dissolved solutes. During the past decade, AFGPs have demonstrated tremendous potential for many pharmaceutical and food applications. Presently, the only route to obtain AFGPs involves the time consuming and expensive process of isolation and purification from deep-sea polar fishes. Unfortunately, it is not amenable to mass production and commercial applications. The lack of understanding of the mechanism through which the AFGPs inhibit ice growth has also hampered the realization of industrial and biotechnological applications. Here we report the structural motifs that are essential for antifreeze activity of AFGPs, and propose a unified mechanism based on both recent studies of short alanine peptides and structure activity relationship of synthesized AFGPs. Copyright © 2011 Society of Chemical Industry.

  11. Nuclear Structure Aspects of Neutrinoless Double-β Decay

    Science.gov (United States)

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

    2014-12-01

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

  12. Resonant tunneling through double-barrier structures on graphene

    International Nuclear Information System (INIS)

    Deng Wei-Yin; Zhu Rui; Deng Wen-Ji; Xiao Yun-Chang

    2014-01-01

    Quantum resonant tunneling behaviors of double-barrier structures on graphene are investigated under the tight-binding approximation. The Klein tunneling and resonant tunneling are demonstrated for the quasiparticles with energy close to the Dirac points. The Klein tunneling vanishes by increasing the height of the potential barriers to more than 300 meV. The Dirac transport properties continuously change to the Schrödinger ones. It is found that the peaks of resonant tunneling approximate to the eigen-levels of graphene nanoribbons under appropriate boundary conditions. A comparison between the zigzag- and armchair-edge barriers is given. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  13. New heterocycles having double characters; as antimicrobial and surface active agents.

    Directory of Open Access Journals (Sweden)

    El-Sayed, R.

    2004-12-01

    Full Text Available Fatty acids isothiocyanate (1 was used as a starting material to synthesize some important heterocycles such as triazoles, oxazoles, thiazoles, benzoxazoles and quinazolines by treating with different types of nucleophiles such as nitrogen nucleophiles, oxygen nucleophiles, and sulfur nucleophiles. The produced compounds were subjected to propylene oxide in different moles (n = 3, 5 and 7 to produce novel groups of nonionic compounds having the double function as antimicrobial and surface active agents which can be used in the manufacturing of drugs, cosmetics, pesticides or can be used as antibacterial and/or antifungal. The physical properties as surface and interfacial tension, cloud point, foaming height, wetting time, emulsification power and the critical micelle concentration (CMC were determined, antimicrobial and biodegradability were also determined.Isocianatos de acidos grasos se utilizaron como material de partida para la síntesis de importantes heterociclos tales como triazoles, oxazoles, thoazoles, benzoxazoles y quinazolinas mediante el tratamiento de los mismos con diferentes tipos de nucleofilos tales como nucleofilos nitrogenados, oxigenados, o azufrados. Los compuestos producidos se trataron con oxido de propileno a diferentes concentraciones molares (n = 3, 5 y 7 para producir nuevos grupos de compuestos no iónicos que tuvieran la doble función de ser compuestos antimicrobianos y agentes de superficie, que se pudieran usar en la fabricación de medicinas, cosméticos, pesticidas o como antibacterianos o antifúngicos. Se determinaron sus propiedades tales como tensión superficial e interfacial, punto de turbidez, altura de espuma, tiempo de mojado, poder de emulsificación y concentración micelar crítica (CMC, asi como sus propiedades antimicrobianas y de degradabilidad.

  14. Arterial double-contrast dual-energy MDCT: in-vivo rabbit atherosclerosis with iodinated nanoparticles and gadolinium agents

    Science.gov (United States)

    Carmi, Raz; Kafri, Galit; Altman, Ami; Goshen, Liran; Planer, David; Sosna, Jacob

    2010-03-01

    An in-vivo feasibility study of potentially improved atherosclerosis CT imaging is presented. By administration of two different contrast agents to rabbits with induced atherosclerotic plaques we aim at identifying both soft plaque and vessel lumen simultaneously. Initial injection of iodinated nanoparticle (INP) contrast agent (N1177 - Nanoscan Imaging), two to four hours before scan, leads to its later accumulation in macrophage-rich soft plaque, while a second gadolinium contrast agent (Magnevist) injected immediately prior to the scan blends with the aortic blood. The distinction between the two agents in a single scan is achieved with a double-layer dual-energy MDCT (Philips Healthcare) following material separation analysis using the reconstructed images of the different x-ray spectra. A single contrast agent injection scan, where only INP was injected two hours prior to the scan, was compared to a double-contrast scan taken four hours after INP injection and immediately after gadolinium injection. On the single contrast agent scan we observed along the aorta walls, localized iodine accumulation which can point on INP uptake by atherosclerotic plaque. In the double-contrast scan the gadolinium contributes a clearer depiction of the vessel lumen in addition to the lasting INP presence. The material separation shows a good correlation to the pathologies inferred from the conventional CT images of the two different scans while performing only a single scan prevents miss-registration problems and reduces radiation dose. These results suggest that a double-contrast dual-energy CT may be used for advanced clinical diagnostic applications.

  15. Cobalt double-ring and double-dot structures: Magnetic properties

    International Nuclear Information System (INIS)

    López-Urías, F.; Torres-Heredia, J.J.; Muñoz-Sandoval, E.

    2016-01-01

    The magnetization reversal mechanism of nanostructures of cobalt double-rings (D-rings) and double-dots (D-dots) is investigated in the framework of micromagnetic simulations. The arrays contain two identical coupled rings (wide and narrow) or dots with outer diameter of 200 nm and thicknesses ranging from 2–20 nm. Hysteresis loops, dipole–dipole and exchange energies are systematically calculated for the cases of the structures touching and the structures with a 50-nm inter-magnet separation; moreover, magnetization states along the hysteresis curve are analyzed. The results of both dot and ring D-magnets are compared with the corresponding individual magnets. Our results reveal that all D-ring (in contact and separated) arrays containing narrow rings exhibit non-null remanent magnetization; furthermore, higher coercive fields are promoted when the magnet thickness is increased. It is observed that the magnetization reversal is driven mainly by a clockwise rotation of onion-states, followed by states of frustrated vortices. Our results could help improve the understanding of the magnetic interactions in nanomagnet arrays.

  16. Cobalt double-ring and double-dot structures: Magnetic properties

    Energy Technology Data Exchange (ETDEWEB)

    López-Urías, F., E-mail: flo@ipicyt.edu.mx [Advanced Materials Department, IPICYT, Camino a la presa San José 2055, Col. Lomas 4a sección, 78216, San Luis Potosí S.L.P., México (Mexico); Torres-Heredia, J.J. [Instituto Tecnológico Superior de Las Choapas, Col. J. M. Rosa do, 96980, Las Choapas, Veracruz (Mexico); Muñoz-Sandoval, E. [Advanced Materials Department, IPICYT, Camino a la presa San José 2055, Col. Lomas 4a sección, 78216, San Luis Potosí S.L.P., México (Mexico)

    2016-02-15

    The magnetization reversal mechanism of nanostructures of cobalt double-rings (D-rings) and double-dots (D-dots) is investigated in the framework of micromagnetic simulations. The arrays contain two identical coupled rings (wide and narrow) or dots with outer diameter of 200 nm and thicknesses ranging from 2–20 nm. Hysteresis loops, dipole–dipole and exchange energies are systematically calculated for the cases of the structures touching and the structures with a 50-nm inter-magnet separation; moreover, magnetization states along the hysteresis curve are analyzed. The results of both dot and ring D-magnets are compared with the corresponding individual magnets. Our results reveal that all D-ring (in contact and separated) arrays containing narrow rings exhibit non-null remanent magnetization; furthermore, higher coercive fields are promoted when the magnet thickness is increased. It is observed that the magnetization reversal is driven mainly by a clockwise rotation of onion-states, followed by states of frustrated vortices. Our results could help improve the understanding of the magnetic interactions in nanomagnet arrays.

  17. Insights into the effect of structure-directing agents on structural ...

    Indian Academy of Sciences (India)

    directing agents) and the cost-effective carbon precursors, such as phloroglucinol and formaldehyde. Selected sur- factants based on .... of structure-directing agent play a crucial role in tuning the geometry of the pore structure while .... ume than the Vulcan XC-72R carbon with an exception of. MCs derived from HTAB and ...

  18. Calculation of coupling factor for double-period accelerating structure

    International Nuclear Information System (INIS)

    Bian Xiaohao; Chen Huaibi; Zheng Shuxin

    2005-01-01

    In the design of the linear accelerating structure, the coupling factor between cavities is a crucial parameter. The error of coupling factor accounts for the electric or magnetic field error mainly. To accurately design the coupling iris, the accurate calculation of coupling factor is essential. The numerical simulation is widely used to calculate the coupling factor now. By using MAFIA code, two methods have been applied to calculate the dispersion characteristics of the single-period structure, one method is to simulate the traveling wave mode by the period boundary condition; another method is to simulate the standing wave mode by the electrical boundary condition. In this work, the authors develop the two methods to calculate the coupling factor of double-period accelerating structure. Compared to experiment, the results for both methods are very similar, and in agreement with measurement within 15% deviation. (authors)

  19. Structural Approaches on the Toughness in Double Network Hydrogels

    Science.gov (United States)

    Tominaga, Taiki; Osada, Yoshihito; Gong, Jian Ping

    Most hydrogels are mechanically too weak to be used as any load bearing devices. We have overcome this problem by synthesizing hydrogels with a double network (DN) structure. Despite the presence of 90% water in their composition, these tough gels exhibit a fracture stress of 170 kg/cm2, similar to that of cartilage. The relation between their mechanical strength and structure for a wide range of conditions should be analyzed to apprehend the origin of the toughness of the DN-gels. We recently reported some experi- mental results obtained by dynamic light scattering and small angle neutron scattering. Some new experimental results obtained by neutron scattering in both deformed and undeformed conditions provided for a new under- standing of the origin of toughness. We review the studies on the structure of DN-gels towards understanding of the toughness origin. Studies on DN-gels for biomedical applications are also described.

  20. Permanent storage of light in a double-slab structure

    Science.gov (United States)

    Chen, Jiangwei; Yuan, Guoxuan; Tao, Zhikuo

    2017-11-01

    In this paper, we shall demonstrate firstly that a normal incidence can be totally reflected from a slab made of active metamaterial with purely-imaginary-impedance. Then we shall predict that a localized steady state of electromagnetic wave dependent on initial input can exist in a double-slab structure, which relates to the non null solution of equations formed by electromagnetic field boundary conditions. These results may provide a feasible way to effectively treat loss and/or gain problems and thus store electromagnetic wave (light) permanently at room temperature. In addition, our work indicates that metamaterials with purely-imaginary-impedance may enable remarkable electromagnetic phenomena and merit further study.

  1. Transmission of Sound Through Double-Plate Panel Structures

    DEFF Research Database (Denmark)

    Dickow, Kristoffer Ahrens; Domadiya, Parthkumar Gandalal; Andersen, Lars

    2011-01-01

    In the present paper, a finite-element model of a single-stud double-plate panel structure is implemented to investigate the transmission of diffuse incident sound waves through typical simple lightweight constructions. A parameter study of the effect of including the internal acoustic medium...... the fluid continuum elements are replaced by a simple spring connection between the two plates. The investigations are performed as parameter studies focusing on the effect of changes in the model. A fully coupled analysis is performed in which solid continuum finite elements are adopted for the structure......, whereas the acoustic medium is discretized into fluid continuum elements. The computations are carried out in frequency domain in the range below 2 kHz and the load acts as an approximated diffuse field on one side of the panel. The results show that if some of the studs are free to bend, the transmission...

  2. Potential biocontrol agents for biofouling on artificial structures.

    Science.gov (United States)

    Atalah, Javier; Newcombe, Emma M; Hopkins, Grant A; Forrest, Barrie M

    2014-09-01

    The accumulation of biofouling on coastal structures can lead to operational impacts and may harbour problematic organisms, including non-indigenous species. Benthic predators and grazers that can supress biofouling, and which are able to be artificially enhanced, have potential value as augmentative biocontrol agents. The ability of New Zealand native invertebrates to control biofouling on marina pontoons and wharf piles was tested. Caging experiments evaluated the ability of biocontrol to mitigate established biofouling, and to prevent fouling accumulation on defouled surfaces. On pontoons, the gastropods Haliotis iris and Cookia sulcata reduced established biofouling cover by >55% and largely prevented the accumulation of new biofouling over three months. On wharf piles C. sulcata removed 65% of biofouling biomass and reduced its cover by 73%. C. sulcata also had better retention and survival rates than other agents. Augmentative biocontrol has the potential to be an effective method to mitigate biofouling on marine structures.

  3. Interaction of Human and Artificial Agents on Double Auction Markets : Simulations and Laboratory Experiments

    OpenAIRE

    Grossklags, Jens; Schmidt, Carsten

    2003-01-01

    This paper provides an overview on the simulations and experiments we have done in order to better understand human-agent interaction in a market environment. We find that the introduction of software agents does not necessarily induce a more efficient market. More surprisingly, information on the existence of software agents in the market environment results in more efficient behavior of human traders.

  4. Influence of crosslinking agents on the pore structure of skin.

    Science.gov (United States)

    Fathima, N Nishad; Dhathathreyan, Aruna; Ramasami, T

    2007-05-15

    Analysis of pore structure of skin is important to understand process of diffusion and adsorption involved during any application of the skin matrix. In this study, the effect of thermal shrinkage on the pore structure of chromium and vegetable treated skin has been analyzed as these tanning agents are known to bring about thermal stability to the matrix. The changes brought about in the pore structure have been studied using mercury intrusion porosimetry and scanning electron microscopy. Response of the chromium treated and vegetable tanning treated skin structure to heat has been found to be quite different from each other. About 41% decrease in porosity is observed for chromium treated skin as against 97% decrease for the skin treated with vegetable tannins. This is primarily attributed to the basic nature of these materials and the nature of interaction of them towards skin.

  5. In vitro assembly of a prohead-like structure of the Rhodobacter capsulatus gene transfer agent

    International Nuclear Information System (INIS)

    Spano, Anthony J.; Chen, Frank S.; Goodman, Benjamin E.; Sabat, Agnes E.; Simon, Martha N.; Wall, Joseph S.; Correia, John J.; McIvor, Wilson; Newcomb, William W.; Brown, Jay C.; Schnur, Joel M.; Lebedev, Nikolai

    2007-01-01

    The gene transfer agent (GTA) is a phage-like particle capable of exchanging double-stranded DNA fragments between cells of the photosynthetic bacterium Rhodobacter capsulatus. Here we show that the major capsid protein of GTA, expressed in E. coli, can be assembled into prohead-like structures in the presence of calcium ions in vitro. Transmission electron microscopy (TEM) of uranyl acetate staining material and thin sections of glutaraldehyde-fixed material demonstrates that these associates have spherical structures with diameters in the range of 27-35 nm. The analysis of scanning TEM images revealed particles of mass ∼ 4.3 MDa, representing 101 ± 11 copies of the monomeric subunit. The establishment of this simple and rapid method to form prohead-like particles permits the GTA system to be used for genome manipulation within the photosynthetic bacterium, for specific targeted drug delivery, and for the construction of biologically based distributed autonomous sensors for environmental monitoring

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

    Science.gov (United States)

    Kai, SONG; Liping, YAN

    2017-03-01

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

  7. Asymptotic bounded consensus tracking of double-integrator multi-agent systems with bounded-jerk target based on sampled-data without velocity measurements

    International Nuclear Information System (INIS)

    Wu Shuang-Shuang; Wu Zhi-Hai; Peng Li; Xie Lin-Bo

    2017-01-01

    This paper investigates asymptotic bounded consensus tracking (ABCT) of double-integrator multi-agent systems (MASs) with an asymptotically-unbounded-acceleration and bounded-jerk target (AUABJT) available to partial agents based on sampled-data without velocity measurements. A sampled-data consensus tracking protocol (CTP) without velocity measurements is proposed to guarantee that double-integrator MASs track an AUABJT available to only partial agents. The eigenvalue analysis method together with the augmented matrix method is used to obtain the necessary and sufficient conditions for ABCT. A numerical example is provided to illustrate the effectiveness of theoretical results. (paper)

  8. Cavity Control and Panel Control Strategies in Double-Panel Structures for Transmitted Noise Reduction

    NARCIS (Netherlands)

    Ho, J.; Kalverboer, J.; Berkhoff, Arthur P.

    2012-01-01

    Investigation and comparisons of the cavity control and the panel control in a double-panel structure are presented in this paper. The double-panel structure, which comprises two panels with air in the gap, provides the advantages of low sound-transmission at high frequency, low heat-transmission

  9. Double-targeting Using A TrkC-Ligand Conjugated To BODIPY-based PDT Agent

    Science.gov (United States)

    Kamkaew, Anyanee; Burgess, Kevin

    2013-01-01

    A molecule 1 (IY-IY-PDT) was designed to contain a fragment (IY-IY) that targets the TrkC receptor, and a photosensitizer that acts as an agent for photodynamic therapy (PDT). Molecule 1 had sub-micromolar photocytotoxicities to cells that were either engineered to stably express TrkC (NIH3T3-TrkC) or that naturally express high levels of TrkC (SY5Y neuroblastoma lines). Control experiments showed 1 is not cytotoxic in the dark, and has significantly less photocytotoxicity towards cells that do not express TrkC (NIH3T3-WT). Other controls featuring a similar agent 2 (YI-YI-PDT) which is identical and isomeric with 1 except that the targeting region is scrambled (a YI-YI motif, see text) showed 1 is considerably more photocytotoxic than 2 on TrkC+ cells. Imaging live TrkC+ cells after treatment with a fluorescent agent 1 (IY-IY-PDT) proved that 1 permeates into TrkC+ cells and localizes in the lysosomes. This observation indirectly indicates agent 1 enters the cells via the TrkC receptor. Consistent with this, the dose-dependent PDT effects of 1 can be competitively reduced by the natural TrkC ligand, neurotrophin NT3. PMID:24063347

  10. Insights into the effect of structure-directing agents on structural ...

    Indian Academy of Sciences (India)

    Abstract. Synthesis of mesoporous carbon (MC) with well-defined morphologies and, wide range of surface area and pore size, is reported by organic–organic interaction between thermally decomposable surfactants (structure- directing agents) and the cost-effective carbon precursors, such as phloroglucinol and ...

  11. Effects of radical initiators, polymerization inhibitors, and other agents on the sonochemical unzipping of double-walled carbon nanotubes

    Science.gov (United States)

    Fukumori, Minoru; Hara, Shinnosuke; Ogawa, Takuji; Tanaka, Hirofumi

    2018-03-01

    The mechanism of graphene nanoribbon synthesis by the sonication-assisted unzipping of carbon nanotubes (CNTs) was investigated utilizing 4-methoxyphenol and 1,4-dimethoxybenzene as moieties of poly[(m-phenylenevinylene)-co-(2,5-dioctoxy-p-phenylenevinylene)]. The obtained results revealed that unzipping was promoted by 4-methoxyphenol owing to the facile abstraction of its phenolic hydrogen by sonication-generated radicals on CNTs, whereas 1,4-dimethoxybenzene did not facilitate unzipping, since its methoxy hydrogens were hardly abstracted. Moreover, unzipping was also facilitated by trans-stilbene, the double bond of which reacts with CNT radicals. Furthermore, we succeeded in using a general radical initiator, namely, 2,2‧-azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride to promote unzipping, confirming that it is promoted by radical donors/trapping agents.

  12. Fractal Surfaces of Molecular Crystals Mimicking Lotus Leaf with Phototunable Double Roughness Structures.

    Science.gov (United States)

    Nishimura, Ryo; Hyodo, Kengo; Sawaguchi, Haruna; Yamamoto, Yoshiaki; Nonomura, Yoshimune; Mayama, Hiroyuki; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo

    2016-08-17

    Double roughness structure, the origin of the lotus effect of natural lotus leaf, was successfully reproduced on a diarylethene microcrystalline surface. Static superwater-repellency and dynamic water-drop-bouncing were observed on the surface, in the manner of natural lotus leaves. Double roughness structure was essential for water-drop-bouncing. This ability was not observed on a single roughness microcrystalline surface showing the lotus effect of the same diarylethene derivative. The double roughness structure was reversibly controlled by alternating irradiation with UV and visible light.

  13. On the implications of Inalienability for Double Objects Structure

    OpenAIRE

    Gavarró, Anna

    1995-01-01

    It is the purpose of this paper to consider the double object construction in the light of some data of Kihaya and Sesotho, two Bantu languages in which the objects display symmetrical behaviour with respect to word order, cliticisation, passivisation, unspecified object deletion, and raising to subject. In some special circumstances, though, such as those where a relation of inalienability holds between the two objects, they cease to behave in the same way. An analysis of inalienability as a...

  14. Combined Differential and Static Pressure Sensor based on a Double-Bridged Structure

    DEFF Research Database (Denmark)

    Pedersen, Casper; Jespersen, S.T.; Krog, J.P.

    2005-01-01

    A combined differential and static silicon microelectromechanical system pressure sensor based on a double piezoresistive Wheatstone bridge structure is presented. The developed sensor has a conventional (inner) bridge on a micromachined diaphragm and a secondary (outer) bridge on the chip...

  15. Immunological detection and quantification of DNA components structurally modified by alkylating carcinogens, mutagens and chemotherapeutic agents

    International Nuclear Information System (INIS)

    Rajewsky, M.F.

    1983-01-01

    The detection and quantification of defined reaction products of chemical mutagens and carcinogens (and of many cancer chemotherapeutic agents) with DNA require highly sensitive analytical techniques. The exceptional capability of immunoglobulins to recognize subtle alterations of molecular structure (especially when monoclonal antibodies are used to maximize specificity), outstanding sensitivity of immunoanalysis by high-affinity antibodies, and the fact that radioactively-labelled agents are not required suggest the utility of a radioimmunoassay to recognize and quantitate alkylated DNA products. We have recently developed a set of high-affinity monoclonal antibodies (secreted by mouse x mouse as well as by rat x rat hybridomas; antibody affinity constants, 10 9 to > 10 10 lmol) specifically directed against several DNA alkylation products with possible relevance in relation to both mutagenesis and malignant transformation of mammalian cells. These alkylation products include 0 6 -N-butyldeoxyguanosine, and 0 4 -ethyldeoxythymidine. When used in a radioimmunassay, an antibody specific for 0 6 -ethyldeoxyguanosine, for example, will detect this product at an 0 6 -ethyldeoxyguanosine/deoxyguanosine molar ratio of approx. 3 x 10 -7 in a hydrolysate of 100 ug of DNA. The limit of detection can be lowered further if the respective alkyldeoxynucleosides are separated by HPLC from the DNA hydrolysate prior to the RIA. The anti-alkyldeoxynucleoside monoclonal antibodies can also be used to visualize, by immunostaining and fluorescence microscopy combined with electronic image intensification, specific alkylation products in the nuclear DNA of individual cells, and to localize structurally modified bases in double-stranded DNA molecules by transmission electron microscopy

  16. Double-layer structure in polar mesospheric clouds observed from SOFIE/AIM

    Directory of Open Access Journals (Sweden)

    H. Gao

    2017-02-01

    Full Text Available Double-layer structures in polar mesospheric clouds (PMCs are observed by using Solar Occultation for Ice Experiment (SOFIE data between 2007 and 2014. We find 816 and 301 events of double-layer structure with percentages of 10.32 and 7.25 % compared to total PMC events, and the mean distances between two peaks are 3.06 and 2.73 km for the Northern Hemisphere (NH and Southern Hemisphere (SH respectively. Double-layer PMCs almost always have less mean ice water content (IWC than daily IWC during the core of the season, but they are close to each other at the beginning and the end. The result by averaging over all events shows that the particle concentration has obvious double peaks, while the particle radius exhibits an unexpected monotonic increase with decreasing altitude. By further analysis of the background temperature and water vapour residual profiles, we conclude that the lower layer is a reproduced one formed at the bottom of the upper layer. 56.00 and 47.51 % of all double-layer events for the NH and SH respectively have temperature enhancements larger than 2 K locating between their double peaks. The longitudinal anti-correlation between the gravity waves' (GWs' potential energies and occurrence frequencies of double-layer PMCs suggests that the double-layer PMCs tend to form in an environment where the GWs have weaker intensities.

  17. Reliability in Single, Double and N2R Ring Network Structures

    DEFF Research Database (Denmark)

    Jørgensen, T.; Pedersen, L.; Pedersen, Jens Myrup

    This paper studies the properties of single, double and N2R ring network structures during link errors. The structure of the network infrastructure must be redesigned in order to fulfil the requirements of services using the Internet in the future; hence, N2R structures have been suggested. N2R s...

  18. Microtubule-Targeting Agents Enter the Central Nervous System (CNS): Double-edged Swords for Treating CNS Injury and Disease.

    Science.gov (United States)

    Hur, Eun-Mi; Lee, Byoung Dae

    2014-12-01

    Microtubules have been among the most successful targets in anticancer therapy and a large number of microtubule-targeting agents (MTAs) are in various stages of clinical development for the treatment of several malignancies. Given that injury and diseases in the central nervous system (CNS) are accompanied by acute or chronic disruption of the structural integrity of neurons and that microtubules provide structural support for the nervous system at cellular and intracellular levels, microtubules are emerging as potential therapeutic targets for treating CNS disorders. It has been postulated that exogenous application of MTAs might prevent the breakdown or degradation of microtubules after injury or during neurodegeneration, which will thereby aid in preserving the structural integrity and function of the nervous system. Here we review recent evidence that supports this notion and also discuss potential risks of targeting microtubules as a therapy for treating nerve injury and neurodegenerative diseases.

  19. From moral agents to moral factors: the structural ethics approach

    NARCIS (Netherlands)

    Brey, Philip A.E.; Kroes, P.; Verbeek, P.P.C.C.

    2014-01-01

    It has become a popular position in the philosophy of technology to claim that some or all technological artifacts can qualify as moral agents. This position has been developed to account for the moral role of technological artifacts in society and to help clarify the moral responsibility of

  20. Use of mucolytic agents and guaran HEPART (HP-7000) for the detection of mucosal villi in double contrast barium studies of the small intestine

    International Nuclear Information System (INIS)

    Desaga, J.F.

    1987-01-01

    It was the aim of this study to enhance the visualisation of mucosal villi by double contrast barium studies of the small bowel. Prior to the radiological examination a 2-day pretreatment with the mucolytic agents acetylcysteine or carbocisteine was effected. Double contrast studies were performed with a high-molecular fraction of guaran HEPART (HP-7000), a hydrocolloidal isolated from the seed endosperm of C. tetragonolobus added into contrast-medium and distention medium. Compared to double contrast studies without mucolytic therapy, this procedure results in a better transparency and demonstration of the mucosal villi shown by a granular pattern in the radiographs. High quality visualisation of intestinal villi was achieved in all patients studied. A 2-day pretreatment with carbocisteine or acetylcysteine and the use of guaran in the double contrast barium study of the small bowel results in a greatly enhanced visualisation of mucosal villi. (orig.) [de

  1. Contribution of double scattering to structural coloration in quasiordered nanostructures of bird feathers

    Science.gov (United States)

    Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar; Prum, Richard O.; Mochrie, Simon G. J.; Dufresne, Eric R.; Cao, Hui

    2010-05-01

    We measured the polarization- and angle-resolved optical scattering and reflection spectra of the quasiordered nanostructures in the bird feather barbs. In addition to the primary peak that originates from single scattering, we observed a secondary peak which exhibits depolarization and distinct angular dispersion. We explained the secondary peak in terms of double scattering, i.e., light is scattered successively twice by the structure. The two sequential single-scattering events are considered uncorrelated. Using the Fourier power spectra of the nanostructures obtained from the small-angle x-ray scattering experiment, we calculated the double scattering of light in various directions. The double-scattering spectrum is broader than the single-scattering spectrum, and it splits into two subpeaks at larger scattering angle. The good agreement between the simulation results and the experimental data confirms that double scattering of light makes a significant contribution to the structural color.

  2. Contribution of double scattering to structural coloration in quasiordered nanostructures of bird feathers

    Energy Technology Data Exchange (ETDEWEB)

    Noh, Heeso; Liew, Seng Fatt; Saranathan, Vinodkumar; Prum, Richard O.; Mochrie, Simon G.J.; Dufresne, Eric R.; Cao, Hui (Yale)

    2010-07-28

    We measured the polarization- and angle-resolved optical scattering and reflection spectra of the quasiordered nanostructures in the bird feather barbs. In addition to the primary peak that originates from single scattering, we observed a secondary peak which exhibits depolarization and distinct angular dispersion. We explained the secondary peak in terms of double scattering, i.e., light is scattered successively twice by the structure. The two sequential single-scattering events are considered uncorrelated. Using the Fourier power spectra of the nanostructures obtained from the small-angle x-ray scattering experiment, we calculated the double scattering of light in various directions. The double-scattering spectrum is broader than the single-scattering spectrum, and it splits into two subpeaks at larger scattering angle. The good agreement between the simulation results and the experimental data confirms that double scattering of light makes a significant contribution to the structural color.

  3. Structure of dysprosium monotartrate in aqueous solution according to magnetic double refraction and molecular mechanics data

    International Nuclear Information System (INIS)

    Vul'fson, S.G.; Chevela, V.V.; Matveev, S.N.; Sal'nikov, Yu.I.; Sarvarova, N.N.; Semenov, V.Eh.

    1992-01-01

    The molar constant of magnetic double refraction of disprosium monotartrate DyH 2 L + (H 4 L - tartric acid) had been determined by pH-metry and magnetic double refraction methods. The structures of ligand and hydrate environments of dysprosium in DyH 2 L + were modelated by the method of molecular mechanics (the model of Dashevskii-Plyamovatov). The theoretical molar constants of magnetic double refraction calculated using the molecular mechanics data had been compared with experimental ones, the most probable models of dysprosium environment have been determined

  4. Foam injection molding of thermoplastic elastomers: Blowing agents, foaming process and characterization of structural foams

    Science.gov (United States)

    Ries, S.; Spoerrer, A.; Altstaedt, V.

    2014-05-01

    Polymer foams play an important role caused by the steadily increasing demand to light weight design. In case of soft polymers, like thermoplastic elastomers (TPE), the haptic feeling of the surface is affected by the inner foam structure. Foam injection molding of TPEs leads to so called structural foam, consisting of two compact skin layers and a cellular core. The properties of soft structural foams like soft-touch, elastic and plastic behavior are affected by the resulting foam structure, e.g. thickness of the compact skins and the foam core or density. This inner structure can considerably be influenced by different processing parameters and the chosen blowing agent. This paper is focused on the selection and characterization of suitable blowing agents for foam injection molding of a TPE-blend. The aim was a high density reduction and a decent inner structure. Therefore DSC and TGA measurements were performed on different blowing agents to find out which one is appropriate for the used TPE. Moreover a new analyzing method for the description of processing characteristics by temperature dependent expansion measurements was developed. After choosing suitable blowing agents structural foams were molded with different types of blowing agents and combinations and with the breathing mold technology in order to get lower densities. The foam structure was analyzed to show the influence of the different blowing agents and combinations. Finally compression tests were performed to estimate the influence of the used blowing agent and the density reduction on the compression modulus.

  5. Experimental investigation of a double-diffused MOS structure

    Science.gov (United States)

    Lin, H. C.; Halsor, J. L.

    1976-01-01

    Self-aligned polysilicon gate technology was applied to double-diffused MOS (DMOS) construction in a manner that retains processing simplicity and effectively eliminates parasitic overlap capacitance because of the self-aligning feature. Depletion mode load devices with the same dimensions as the DMOS transistors were integrated. The ratioless feature results in smaller dimension load devices, allowing for higher density integration with no increase in the processing complexity of standard MOS technology. A number of inverters connected as ring oscillators were used as a vehicle to test the performance and to verify the anticipated benefits. The propagation time-power dissipation product and process related parameters were measured and evaluated. This report includes (1) details of the process; (2) test data and design details for the DMOS transistor, the load device, the inverter, the ring oscillator, and a shift register with a novel tapered geometry for the output stages; and (3) an analytical treatment of the effect of the distributed silicon gate resistance and capacitance on the speed of DMOS transistors.

  6. NO and SCN -intercalated layered double hydroxides: structure and ...

    Indian Academy of Sciences (India)

    2018-02-05

    Feb 5, 2018 ... C (18 h). 2.2 Materials characterization. The samples were characterized by powder X-ray diffraction. (PXRD) with a Bruker D8 Advance powder diffractometer. (source CuKα radiation, Ni filter, λ = 1.5418 Å) operating in reflection geometry. For structure refinement, data were col- lected at a scan rate of 0.12.

  7. Secure Route Structures for Parallel Mobile Agents Based Systems Using Fast Binary Dispatch

    Directory of Open Access Journals (Sweden)

    Yan Wang

    2005-01-01

    Full Text Available In a distributed environment, where a large number of computers are connected together to enable the large-scale sharing of data and computing resources, agents, especially mobile agents, are the tools for autonomously completing tasks on behalf of their owners. For applications of large-scale mobile agents, security and efficiency are of great concern. In this paper, we present a fast binary dispatch model and corresponding secure route structures for mobile agents dispatched in parallel to protect the dispatch routes of agents while ensuring the dispatch efficiency. The fast binary dispatch model is simple but efficient with a dispatch complexity of O(log2n. The secure route structures adopt the combination of public-key encryption and digital signature schemes and expose minimal route information to hosts. The nested structure can help detect attacks as early as possible. We evaluated the various models both analytically and empirically.

  8. Augmenting the activity of antifungal agents against aspergilli using structural analogues of benzoic acid as chemosensitizing agents.

    Science.gov (United States)

    Kim, Jong H; Campbell, Bruce C; Mahoney, Noreen; Chan, Kathleen L; Molyneux, Russell J; Balajee, Arunmozhi

    2010-10-01

    A number of benzoic acid analogues showed antifungal activity against strains of Aspergillus flavus, Aspergillus fumigatus and Aspergillus terreus, causative agents of human aspergillosis, in in vitro bioassays. Structure-activity analysis revealed that antifungal activities of benzoic and gallic acids were increased by addition of a methyl, methoxyl or chloro group at position 4 of the aromatic ring, or by esterification of the carboxylic acid with an alkyl group, respectively. Thymol, a natural phenolic compound, was a potent chemosensitizing agent when co-applied with the antifungal azole drugs fluconazole and ketoconazole. The thymol-azole drug combination demonstrated complete inhibition of fungal growth at dosages far lower than the drugs alone. Co-application of thymol with amphotericin B had an additive effect on all strains of aspergilli tested with the exception of two of three strains of A. terreus, where there was an antagonistic effect. Use of two mitogen-activated protein kinase (MAPK) mutants of A. fumigatus, sakAΔ and mpkCΔ, having gene deletions in the oxidative stress response pathway, indicated antifungal and/or chemosensitization activity of the benzo analogues was by disruption of the oxidative stress response system. Results showed that both these genes play overlapping roles in the MAPK system in this fungus. The potential of safe, natural compounds or analogues to serve as chemosensitizing agents to enhance efficacy of commercial antifungal agents is discussed. Published by Elsevier Ltd.

  9. Healing agent in cement-based materials and structures, and process for its preparation

    NARCIS (Netherlands)

    Jonkers, H.M.

    2009-01-01

    The present invention relates to healing agent in cement-based materials and structures, wherein said healing agent comprises organic compounds and/or bacteria-loaded porous particles, which porous particles comprise expanded clay- or sintered fly ash. Furthermore, said porous particles are intact

  10. A randomized double blind study of a green and black tea agent, AssuriTEA®, in healthy male subjects

    Directory of Open Access Journals (Sweden)

    Jillian Capodice

    2015-10-01

    Full Text Available Background: Green and black teas have known anti-oxidant and anti-inflammatory properties. The current study was a prospective randomized, double-blind, placebo controlled study of 3 doses of a water-extracted green and black tea agent (AssuriTEA® [AT]. Methods: Subjects who met inclusion criteria were randomized to one of four groups: 1000, 500, or 250 mg AT or placebo for 28 days. At baseline (BL and day 28, serum antioxidant capacity, quality of life and safety were assessed. Results: Of the 55 subjects screened, 43 were considered evaluable. Age was 56.77 ± 2.83 years (mean ± SEM. Evaluable subjects demonstrated improved antioxidant status, as measured by ferric iron reducing antioxidant power at all doses over the placebo (p < 0.05. There was significant improvement in cellular antioxidant protection in the 1000 mg AT group versus the placebo (p=0.032. Glucose levels were higher in the placebo group versus the 250 mg AT group (p=0.023 and there was a significant improvement in systolic blood pressure in the 250 mg AT group at day 28 versus BL (p=0.048. In the 1000 mg AT group, there was a significant decrease in systolic blood pressure at day 28 versus BL (p=0.017. There was a significant improvement in the vitality category in the 1000 mg AT group (p=0.029. Overall, AT was safe and well tolerated with no differences in adverse events or serum chemistries between groups. Conclusions: Results demonstrate that the administration of AT resulted in improvement of serum antioxidant status, vitality level, blood glucose, and systolic blood pressure in test subjects.

  11. Structures and properties of Ti alloys after double implantation

    International Nuclear Information System (INIS)

    Pogrebnyak, A.D.; Bratushka, S.N.; Levintant, N.; Erdybaeva, N.K.; Malikov, L.V.

    2009-01-01

    The paper presents new results on investigation of structure and physical-mechanical properties of near surface layers of titanium alloys after (W+, Mo+) ion implantation and subsequent thermal annealing under 550 C during 2 hours. Using back scattering (RBS) of helium ions and protons, scanning electron microscopy (SEM) with microanalysis (EDS), (WDS), proton (ion) induced X-ray emission (PIXE), X-ray phase analysis (ERD) with a sliding beam geometry (0.5 degrees), Moessbauer spectroscopy (MS), measurements of nanohardness and elastic modulus, friction wear (cylinder-plate), measurements of corrosion resistance in a salt solution, we investigates VT-22 samples, and determined their fatigue resistance under cyclic loads. Two times increase of the hardness, decrease of wear and increased fatigue resistance was found, which was related to the formation of small dispersion (nanodimension) nitride, carbonitride, and intermetalloid phases. (authors)

  12. Transmission loss of orthogonally rib-stiffened double-panel structures with cavity absorption.

    Science.gov (United States)

    Xin, F X; Lu, T J

    2011-04-01

    The transmission loss of sound through infinite orthogonally rib-stiffened double-panel structures having cavity-filling fibrous sound absorptive materials is theoretically investigated. The propagation of sound across the fibrous material is characterized using an equivalent fluid model, and the motions of the rib-stiffeners are described by including all possible vibrations, i.e., flexural displacements, bending, and torsional rotations. The effects of fluid-structure coupling are account for by enforcing velocity continuity conditions at fluid-panel interfaces. By taking full advantage of the periodic nature of the double-panel, the space-harmonic approach and virtual work principle are applied to solve the sets of resultant governing equations, which are eventually truncated as a finite system of simultaneous algebraic equations and numerically solved insofar as the solution converges. To validate the proposed model, a comparison between the present model predictions and existing numerical and experimental results for a simplified version of the double-panel structure is carried out, with overall agreement achieved. The model is subsequently employed to explore the influence of the fluid-structure coupling between fluid in the cavity and the two panels on sound transmission across the orthogonally rib-stiffened double-panel structure. Obtained results demonstrate that this fluid-structure coupling affects significantly sound transmission loss (STL) at low frequencies and cannot be ignored when the rib-stiffeners are sparsely distributed. As a highlight of this research, an integrated optimal algorithm toward lightweight, high-stiffness and superior sound insulation capability is proposed, based on which a preliminary optimal design of the double-panel structure is performed.

  13. Autonomous Agents with Application to the Evaluation of Organizational Structures

    National Research Council Canada - National Science Library

    Curry, Michael L

    1999-01-01

    Experimental investigation of adaptive command and control (C2) organizations is limited in scope by the availability of qualified subjects and the complexity of experimental design and analysis for large organizational structures...

  14. Biological Evaluation of Double Point Modified Analogues of 1,25-Dihydroxyvitamin D2 as Potential Anti-Leukemic Agents

    Science.gov (United States)

    Corcoran, Aoife; Nadkarni, Sharmin; Yasuda, Kaori; Sakaki, Toshiyuki; Brown, Geoffrey; Kutner, Andrzej; Marcinkowska, Ewa

    2016-01-01

    Structurally similar double-point modified analogues of 1,25-dihydroxyvitamin D2 (1,25D2) were screened in vitro for their pro-differentiating activity against the promyeloid cell line HL60. Their affinities towards human full length vitamin D receptor (VDR) and metabolic stability against human vitamin D 24-hydroxylase (CYP24A1) were also tested. The analogues (PRI-1730, PRI-1731, PRI-1732, PRI-1733 and PRI-1734) contained 5,6-trans modification of the A-ring and of the triene system, additional hydroxyl or unsaturation at C-22 in the side chain and reversed absolute configuration (24-epi) at C-24 of 1,25D2. As presented in this paper, introduction of selected structural modifications simultaneously in two distinct parts of the vitamin D molecule resulted in a divergent group of analogues. Analogues showed lower VDR affinity in comparison to that of the parent hormones, 1,25D2 and 1,25D3, and they caused effective HL60 cell differentiation only at high concentrations of 100 nM and above. Unexpectedly, introducing of a 5,6-trans modification combined with C-22 hydroxyl and 24-epi configuration switched off entirely the cell differentiation activity of the analogue (PRI-1734). However, this analogue remained a moderate substrate for CYP24A1, as it was metabolized at 22%, compared to 35% for 1,25D2. Other analogues from this series were either less (12% for PRI-1731 and PRI-1733) or more (52% for PRI-1732) resistant to the enzymatic deactivation. Although the inactive analogue PRI-1734 failed to show VDR antagonism, when tested in HL60 cells, its structure might be a good starting point for our design of a vitamin D antagonist. PMID:26840307

  15. Biological Evaluation of Double Point Modified Analogues of 1,25-Dihydroxyvitamin D2 as Potential Anti-Leukemic Agents

    Directory of Open Access Journals (Sweden)

    Aoife Corcoran

    2016-02-01

    Full Text Available Structurally similar double-point modified analogues of 1,25-dihydroxyvitamin D2 (1,25D2 were screened in vitro for their pro-differentiating activity against the promyeloid cell line HL60. Their affinities towards human full length vitamin D receptor (VDR and metabolic stability against human vitamin D 24-hydroxylase (CYP24A1 were also tested. The analogues (PRI-1730, PRI-1731, PRI-1732, PRI-1733 and PRI-1734 contained 5,6-trans modification of the A-ring and of the triene system, additional hydroxyl or unsaturation at C-22 in the side chain and reversed absolute configuration (24-epi at C-24 of 1,25D2. As presented in this paper, introduction of selected structural modifications simultaneously in two distinct parts of the vitamin D molecule resulted in a divergent group of analogues. Analogues showed lower VDR affinity in comparison to that of the parent hormones, 1,25D2 and 1,25D3, and they caused effective HL60 cell differentiation only at high concentrations of 100 nM and above. Unexpectedly, introducing of a 5,6-trans modification combined with C-22 hydroxyl and 24-epi configuration switched off entirely the cell differentiation activity of the analogue (PRI-1734. However, this analogue remained a moderate substrate for CYP24A1, as it was metabolized at 22%, compared to 35% for 1,25D2. Other analogues from this series were either less (12% for PRI-1731 and PRI-1733 or more (52% for PRI-1732 resistant to the enzymatic deactivation. Although the inactive analogue PRI-1734 failed to show VDR antagonism, when tested in HL60 cells, its structure might be a good starting point for our design of a vitamin D antagonist.

  16. Control source development for reduction of noise transmitted through a double panel structure

    NARCIS (Netherlands)

    Ho, J.

    2014-01-01

    A double panel structure, which consists of two panels with air in between, is widely adopted in many applications such as aerospace, automotive industries, and buildings due to its low sound transmission at high frequencies, low heat transmission, and low weight. Nevertheless, the resonance of the

  17. The structure of double scattering in old-fashioned perturbation theory

    International Nuclear Information System (INIS)

    Caneschi, L.; Halliday, I.G.; Schwimmer, A.

    1978-01-01

    The authors study in old-fashioned perturbation theory the time orderings that are relevant for the exchange of two Regge poles (ladders). They determine how the phase of double scattering is established in the Mandelstam diagram. The analysis clarifies the intermediate state structure of the multiple-scattering expansion and the role of the unitarity constraints. (Auth.)

  18. Shear-deforming textile reinforced concrete for the construction of double-curved structures

    NARCIS (Netherlands)

    Woodington, W.; Bergsma, O.K.; Schipper, H.R.

    2015-01-01

    A composite textile reinforced concrete (TRC) material is developed to overcome the difficulties of constructing double-curved freeform structures. This is possible by shear-deformation of the woven reinforcement. It affects the direction of reinforcement and thickness, resulting in variable

  19. Alloy Dependence of Electron-Phonon Interactions in Double Barrier Structures

    National Research Council Canada - National Science Library

    Wallis, Corinne

    1996-01-01

    ...)As double barrier structures as a function of the alloy concentration in the barrier. We have measured current-voltage and conductance-voltage curves associated with phonon-assisted tunneling with magnetic fields from 0 to 6.8 Tesla...

  20. Action detection by double hierarchical multi-structure space-time statistical matching model

    Science.gov (United States)

    Han, Jing; Zhu, Junwei; Cui, Yiyin; Bai, Lianfa; Yue, Jiang

    2018-03-01

    Aimed at the complex information in videos and low detection efficiency, an actions detection model based on neighboring Gaussian structure and 3D LARK features is put forward. We exploit a double hierarchical multi-structure space-time statistical matching model (DMSM) in temporal action localization. First, a neighboring Gaussian structure is presented to describe the multi-scale structural relationship. Then, a space-time statistical matching method is proposed to achieve two similarity matrices on both large and small scales, which combines double hierarchical structural constraints in model by both the neighboring Gaussian structure and the 3D LARK local structure. Finally, the double hierarchical similarity is fused and analyzed to detect actions. Besides, the multi-scale composite template extends the model application into multi-view. Experimental results of DMSM on the complex visual tracker benchmark data sets and THUMOS 2014 data sets show the promising performance. Compared with other state-of-the-art algorithm, DMSM achieves superior performances.

  1. Actinide-specific complexing agents: their structural and solution chemistry

    International Nuclear Information System (INIS)

    Raymond, K.N.; Freeman, G.E.; Kappel, M.J.

    1983-07-01

    The synthesis of a series of tetracatecholate ligands designed to be specific for Pu(IV) and other actinide(IV) ions has been achieved. Although these compounds are very effective as in vivo plutonium removal agents, potentiometric and voltammetric data indicate that at neutral pH full complexation of the Pu(IV) ion by all four catecholate groups does not occur. Spectroscopic results indicate that the tetracatecholates, 3,4,3-LICAMS and 3,4,3-LICAMC, complex Am(III). The Am(IV)/(III)-catecholate couple (where catecholate = 3,4,3-LICAMS or 3,4,3-LICAMC) is not observed, but may not be observable due to the large currents associated with ligand oxidation. However, within the potential range where ligand oxidation does not occur, these experiments indicate that the reduction potential of free Am(IV)/(III) is probably greater than or equal to + 2.6 V vs NHE or higher. Proof of the complexation of americium in the trivalent oxidation state by 3,4,3-LICAMS and 3,4,3-LICAMC elimates the possibility of tetracatholates stabilizing Am(IV) in vivo

  2. Influence of time-periodic potentials on electronic transport in double-well structure

    International Nuclear Information System (INIS)

    Chun-Lei, Li; Yan, Xu

    2010-01-01

    Within the framework of the Floquet theorem, we have investigated single-electron photon-assisted tunneling in a double-well system using the transfer matrix technique. The transmission probability displays satellite peaks on both sides of the main resonance peaks and these satellite peaks originate from emission or absorption photons. The single-electron resonance tunneling can be controlled through changing the applied harmonically potential positions, such as driven potential in wells, in barriers, or in whole double-well systems. This advantage should be useful in the optimization of the parameters of a transmission device. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  3. Enhancement of minority carrier injection in ambipolar carbon nanotube transistors using double-gate structures

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Bongjun; Liang, Kelly; Dodabalapur, Ananth, E-mail: ananth.dodabalapur@engr.utexas.edu [Microelectronics Research Center, The University of Texas at Austin, Austin, Texas 78758 (United States); Geier, Michael L.; Hersam, Mark C. [Department of Materials Science and Engineering and Department of Chemistry, Northwestern University, Evanston, Illinois 60208 (United States)

    2016-07-11

    We show that double-gate ambipolar thin-film transistors can be operated to enhance minority carrier injection. The two gate potentials need to be significantly different for enhanced injection to be observed. This enhancement is highly beneficial in devices such as light-emitting transistors where balanced electron and hole injections lead to optimal performance. With ambipolar single-walled carbon nanotube semiconductors, we demonstrate that higher ambipolar currents are attained at lower source-drain voltages, which is desired for portable electronic applications, by employing double-gate structures. In addition, when the two gates are held at the same potential, the expected advantages of the double-gate transistors such as enhanced on-current are also observed.

  4. Development of Dynamic Loudspeakers Modified as Incident Pressure Sources for Noise Reductiuon in a Double Panel Structure

    NARCIS (Netherlands)

    Ho, J.H.; Berkhoff, A.P.

    2013-01-01

    This paper presents a modified loudspeaker source for decentralized feedback cavity control in a double panel structure to reduce the noise transmission. The double panel structure con-sists of two panels with air in between and offers the advantages of low weight, low sound transmission at high

  5. Development of dynamic loudspeakers modified as incident pressure sources for noise reduction in a double panel structure

    NARCIS (Netherlands)

    Ho, J.; Berkhoff, Arthur P.; Crocker, Malcolm J.; Pawelczyk, Marek; Paosawatyanyong, Boonchoat

    2013-01-01

    This paper presents a modified loudspeaker source for decentralized feedback cavity control in a double panel structure to reduce the noise transmission. The double panel structure con-sists of two panels with air in between and offers the advantages of low weight, low sound transmission at high

  6. Quantitative structure-activity relationships of salicylamide neuroleptic agents.

    Science.gov (United States)

    Gupta, S P; Saha, R N; Singh, P

    1990-05-01

    The in vitro antidopamine activity of substituted N-[(1-alkyl-2-pyrrolidinyl)methyl]-6-methoxysalicylamides was found to be well correlated with the hydrophobic and electronic nature of substituents at the 3-position, and with the steric nature of groups replacing the hydrogen atom of the salicyl hydroxy group. In contrast, only the hydrophobic and steric characteristics were found to be important in the in vivo activity of these neuroleptics. This difference suggests that different mechanisms are probably involved in their in vitro and in vivo actions, and that the relevant receptors are slightly different in structure. The in vitro results suggest that electron donation by the 3-substituent strengthens the formation of a hydrogen bond between the carbonyl group of the amide moiety and a hydrogen of the receptor.

  7. Subband structure comparison between n- and p- type double delta-doped Ga As quantum wells

    International Nuclear Information System (INIS)

    Rodriguez V, I.; Gaggero S, L.M.

    2004-01-01

    We compute the electron level structure (n-type) and the hole subband structure (p-type) of double -doped GaAs (DDD) quantum wells, considering exchange effects. The Thomas-Fermi (TF), and Thomas-Fermi-Dirac (TFD) approximations have been applied in order to describe the bending of the conduction and valence band, respectively. The electron and the hole subband structure study indicates that exchange effects are more important in p-type DDD quantum wells than in n-type DDD Also our results agree with the experimental data available. (Author) 33 refs., 2 tabs., 5 figs

  8. Excitation of a double corrugation slow-wave structure in terahertz range

    DEFF Research Database (Denmark)

    Zhurbenko, Vitaliy; Krozer, Viktor; Kotiranta, Mikko

    2011-01-01

    In spite of the fact that the technology is constantly advancing, the realization of terahertz components is still heavily constrained by problems arising from technological limitations. As a result, the design of terahertz components still remains a challenging problem. In this work, an excitation...... problem of a terahertz double corrugation slow-wave structure is considered and practical realization of the structure using currently available technological processes is discussed. The parameters of the realized excitation structure are optimized for vacuum electronics applications while taking...

  9. Acoustic contributions of a sound absorbing blanket placed in a double panel structure: absorption versus transmission.

    Science.gov (United States)

    Doutres, Olivier; Atalla, Noureddine

    2010-08-01

    The objective of this paper is to propose a simple tool to estimate the absorption vs. transmission loss contributions of a multilayered blanket unbounded in a double panel structure and thus guide its optimization. The normal incidence airborne sound transmission loss of the double panel structure, without structure-borne connections, is written in terms of three main contributions; (i) sound transmission loss of the panels, (ii) sound transmission loss of the blanket and (iii) sound absorption due to multiple reflections inside the cavity. The method is applied to four different blankets frequently used in automotive and aeronautic applications: a non-symmetric multilayer made of a screen in sandwich between two porous layers and three symmetric porous layers having different pore geometries. It is shown that the absorption behavior of the blanket controls the acoustic behavior of the treatment at low and medium frequencies and its transmission loss at high frequencies. Acoustic treatment having poor sound absorption behavior can affect the performance of the double panel structure.

  10. A mobile-agent based wireless sensing network for structural monitoring applications

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, Stuart G [Los Alamos National Laboratory; Farinholt, Kevin M [Los Alamos National Laboratory; Figueiredo, Eloi [Los Alamos National Laboratory; Park, Gyuhae [Los Alamos National Laboratory; Farrar, Charles R [Los Alamos National Laboratory; Flynn, Eric B [UCSD; Mascarenas, David L [UCSD; Todd, Michael D [UCSD

    2008-01-01

    A new wireless sensing network paradigm is presented for structural monitoring applications. In this approach, both power and data interrogation commands are conveyed via a mobile agent that is sent to sensor nodes to perform intended interrogations, which can alleviate several limitations of the traditional sensing networks. Furthermore, the mobile agent provides computational power to make near real-time assessments on the structural conditions. This paper will discuss such prototype systems, which are used to interrogate impedance-based sensors for structural health monitoring applications. Our wireless sensor node is specifically designed to accept various energy sources, including wireless energy transmission, and to be wirelessly triggered on an as-needed basis by the mobile agent or other sensor nodes. The capabilities of this proposed sensing network paradigm are demonstrated in the laboratory and the field.

  11. Radiation hardening lacquer binding agent based on a polyester resin with at least 3.5 double links pr. 1000 molecular weight units

    International Nuclear Information System (INIS)

    Crimlisk, D.J.; Wright, A.; Groves, T.E.

    1976-01-01

    The binding agent is suitable for hardening by electrons with an energy of between 100,000 and 500,000eV. It consists mainly of a solution of a polyester resin with at least 3.5 double links per 1000 mol, in an olefine-unsaturated monomer. The molecular weight of the polyester is between 800 and 1100 and the ratio of the number of double links in the monomer to that in the resin (degree of unsaturation) is in the range 0.75-2.0, or more specifically, between 1 and 1.5. Cellulose acetate/butyrate (CAB) and/or a butylated melamine/formaldehyde resin may be added to improve the surface properties. Likewise from 0.1 to 0.5% polyethylene wax may be added to give a better surface finish and hardness. (JIW)

  12. Effective field study of ising model on a double perovskite structure

    Energy Technology Data Exchange (ETDEWEB)

    Ngantso, G. Dimitri; El Amraoui, Y. [LMPHE, (URAC 12), Faculté des Sciences, Université Mohammed V, Rabat (Morocco); Benyoussef, A. [LMPHE, (URAC 12), Faculté des Sciences, Université Mohammed V, Rabat (Morocco); Center of Materials and Nanomaterials, MAScIR, Rabat (Morocco); Hassan II Academy of Science and Technology, Rabat (Morocco); El Kenz, A., E-mail: elkenz@fsr.ac.ma [LMPHE, (URAC 12), Faculté des Sciences, Université Mohammed V, Rabat (Morocco)

    2017-02-01

    By using the effective field theory (EFT), the mixed spin-1/2 and spin-3/2 Ising ferrimagnetic model adapted to a double perovskite structure has been studied. The EFT calculations have been carried out from Ising Hamiltonian by taking into account first and second nearest-neighbors interactions and the crystal and external magnetic fields. Both first- and second-order phase transitions have been found in phase diagrams of interest. Depending on crystal-field values, the thermodynamic behavior of total magnetization indicated the compensation phenomenon existence. The hysteresis behaviors are studied by investigating the reduced magnetic field dependence of total magnetization and a series of hysteresis loops are shown for different reduced temperatures around the critical one. - Highlights: • Magnetic properties of double perovskite Structure have been studied. • Compensation temperature has been observed below the critical temperature. • Hysteresis behaviors have been studied.

  13. Effective field study of ising model on a double perovskite structure

    International Nuclear Information System (INIS)

    Ngantso, G. Dimitri; El Amraoui, Y.; Benyoussef, A.; El Kenz, A.

    2017-01-01

    By using the effective field theory (EFT), the mixed spin-1/2 and spin-3/2 Ising ferrimagnetic model adapted to a double perovskite structure has been studied. The EFT calculations have been carried out from Ising Hamiltonian by taking into account first and second nearest-neighbors interactions and the crystal and external magnetic fields. Both first- and second-order phase transitions have been found in phase diagrams of interest. Depending on crystal-field values, the thermodynamic behavior of total magnetization indicated the compensation phenomenon existence. The hysteresis behaviors are studied by investigating the reduced magnetic field dependence of total magnetization and a series of hysteresis loops are shown for different reduced temperatures around the critical one. - Highlights: • Magnetic properties of double perovskite Structure have been studied. • Compensation temperature has been observed below the critical temperature. • Hysteresis behaviors have been studied.

  14. Mimicking the lotus effect: influence of double roughness structures and slender pillars.

    Science.gov (United States)

    Patankar, Neelesh A

    2004-09-14

    Surface roughness is known to amplify hydrophobicity. The apparent contact angle of a drop on a rough surface is often modeled using either Wenzel's or Cassie's formulas. These formulas, along with an appropriate energy analysis, are critical in designing superhydrophobic substrates for applications in microscale devices. In this paper we propose that double (or multiple) roughness structures or slender pillars are appropriate surface geometries to develop "self-cleaning" surfaces. The key motivation behind the double structured roughness is to mimic the microstructure of superhydrophobic leaves (such as lotus). Theoretical analysis similar to that presented in the paper can be used to obtain optimal geometric parameters for the rough surface. The calculation procedure should result in surface geometries with excellent water repellent properties.

  15. Rayleigh lidar observations of double stratopause structure over three different northern hemisphere stations

    CSIR Research Space (South Africa)

    Sivakumar, V

    2006-09-01

    Full Text Available , the planetary wave (PW) and gravity wave (GW), which might be the potential source for generating the double stratopause structure.5 Also, we suspect that the LDS and UDS occurrence possibly may have a strong re- lationship to the globally addressed phenomena..., (a) Sudden Stratospheric Warming (SSW) and (b) Mesospheric Temperature Inversion (MTI). These two middle atmo- spheric phenomena are again commonly addressed with the PW/GW propagation and breaking. Here, in the following sub-sections, the role...

  16. Measurement of S Parameters ofan Accelerating Structure with Double-Feed Couplers

    OpenAIRE

    Fandos, R; Grudiev, A; Wuensch, W

    2006-01-01

    A method for measuring the transmission and reflection coefficients of an accelerating structure with double-feed input and output couplers using a 2 port network analyzer is presented. This method avoids the use of magic Ts and hybrids, whose symmetry is not obvious. The procedure is extended to devices with n symmetrical input and m symmetrical output ports. The method to make bead pull measurements for such devices is described.

  17. Novel electric double-layer capacitor with a coaxial fiber structure.

    Science.gov (United States)

    Chen, Xuli; Qiu, Longbin; Ren, Jing; Guan, Guozhen; Lin, Huijuan; Zhang, Zhitao; Chen, Peining; Wang, Yonggang; Peng, Huisheng

    2013-11-26

    A coaxial electric double-layer capacitor fiber is developed from the aligned carbon nanotube fiber and sheet, which functions as two electrodes with a polymer gel sandwiched between them. The unique coaxial structure enables a rapid transportation of ions between the two electrodes with a high electrochemical performance. These energy storage fibers are also flexible and stretchable, and can be woven into and widely used for electronic textiles. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Resolution of non-double-couple mechanisms: simulation of hypocenter mislocation and velocity structure mismodeling

    Czech Academy of Sciences Publication Activity Database

    Šílený, Jan

    2009-01-01

    Roč. 99, č. 4 (2009), s. 2265-2272 ISSN 0037-1106 R&D Projects: GA AV ČR IAA300120502; GA ČR GA205/09/0724 Grant - others:EU(XE) MTKI-CT-2004-517242 Institutional research plan: CEZ:AV0Z30120515 Keywords : earthquake mechanisms * induced seismic events * non-double-couple mechanisms Subject RIV: DC - Siesmology, Volcanology, Earth Structure Impact factor: 1.860, year: 2009

  19. Influence of the crystallographic structure of the electrode surface on the structure of the electrical double layer and adsorption of organic molecules

    International Nuclear Information System (INIS)

    Kochorovski, Z.; Zagorska, I.; Pruzhkovska-Drakhal, R.; Trasatti, S.

    1995-01-01

    The results of systematic investigation of influence of crystal structure of Bi-, Sb- and Cd-electrode surfaces on regularities of double electric layer structure in aqueous and nonaqueous solutions of surface-nonactive electrolyte are given. Influence of electrode surface characteristics on adsorptive behaviour of different organic molecules has been studied. General regularities of of chemical nature influence and surface crystallographic structure on the double layer structure and on organic compounds adsorption have been established. 57 refs., 7 figs., 4 tabs

  20. Double-blind randomized phase III study comparing a mixture of natural agents versus placebo in the prevention of acute mucositis during chemoradiotherapy for head and neck cancer.

    Science.gov (United States)

    Marucci, Laura; Farneti, Alessia; Di Ridolfi, Paolo; Pinnaro, Paola; Pellini, Raul; Giannarelli, Diana; Vici, Patrizia; Conte, Mario; Landoni, Valeria; Sanguineti, Giuseppe

    2017-09-01

    There is no widely accepted intervention in the prevention of acute mucositis during chemoradiotherapy for head and neck carcinoma. In the present double-blind study, we tested 4 natural agents, propolis, aloe vera, calendula, and chamomile versus placebo. Patients undergoing concomitant chemo-intensity-modulated radiotherapy (IMRT) were given natural agent or matched placebo; grade 3 mucositis on physical examination according to Common Terminology Criteria for Adverse Events (CTCAE) version 3.0 was the primary endpoint. Various covariates were tested at logistic regression, including the individual amount of mucosa receiving at least 9.5 Gy per week (V9.5w). One hundred seven patients were randomized from January 2011 to July 2014, and 104 were assessable (51%-49% were assigned to the placebo group and 53%-51% were assigned to the natural agent). Overall, 61 patients developed peak grade 3 mucositis with no difference between arms (P = .65). Conversely, V9.5w (P = .007) and primary site (P = .037) were independent predictors. The selected natural agents do not prevent mucositis, whereas the role of V9.5w is confirmed. © 2017 Wiley Periodicals, Inc.

  1. Low-coupling impedance double-helix structure for use in a ferrite kicker magnet

    International Nuclear Information System (INIS)

    Giordano, S.

    1983-01-01

    In a machine such as the CBA, the ejection ferrite kicker magnet has a very large longitudinal and transverse coupling impedance which could destroy the beam. Using a double-helix structure that surrounds the beam, the beam-induced fields are confined within the helix and, therefore, decoupled from the kicker; but at the same time the helix is transparent to the external fields of the kicker. At first, this may seem paradoxical that the helix is opaque to the fields generated inside the structure by the beam and simultaneously transparent to the external fields generated by the kicker

  2. First Principles Study of Electronic and Magnetic Structures in Double Perovskites

    Science.gov (United States)

    Ball, Molly

    At present, electronic devices are reaching their storage and processing limit causing a major push to find materials that can be used in the next generation of devices. Double perovskites with A2BB'O 6 stoichiometry form one of the leading classes of materials currently being studied as a potential candidate because of their extremely wide range and tunability of functional properties, along with economic and highly scalable synthesis routes. Having a thorough understanding of their electronic and magnetic structure and their dependence on composition and local structure is the basis for targeted development of novel and optimized double perovskites. While the body of knowledge and rules within the field of materials chemistry has enabled many previous discoveries, recent developments within density functional theory (DFT) allow by now a rather realistic description of the electronic and magnetic properties of materials and especially identification of their origin from geometry and orbital structure. This thesis details computational work based on DFT within several collaborative studies to better understand the electronic and magnetic properties of double perovskites and related materials that show promise for future use in multifunctional devices. First, we will begin with a general introduction to the double perovskite structure, their properties, and the computational methods used to study them. In the next section, we will look at the case of the antiferromagnetic, insulating double perovskite Sr2CoOsO6, where measurements showed that the transition metal ions in the two sublattices undergo magnetic ordering independently of each other, indicating weak magnetic short-range coupling and a dominance of longer-range interactions, which has previously not been observed. Here, we performed DFT calculations to extract the exchange strengths between the ions and explain this unique dominance of the long-range interactions. Then, we will look at studies done on thin

  3. Critical double impulse input and bound of earthquake input energy to building structure

    Directory of Open Access Journals (Sweden)

    Kotaro eKojima

    2015-06-01

    Full Text Available A theory of earthquake input energy to building structures under single impulse is useful for disclosing the property of energy transfer function. This property shows that the area of the energy transfer function is constant irrespective of natural period and damping of building structures. However single impulse may be unrealistic from a certain viewpoint because the frequency characteristic of input cannot be expressed by this input. In order to resolve such issue, a double impulse is introduced in this paper. The frequency characteristic of the Fourier amplitude of the double impulse is found in an explicit manner and a critical excitation problem is formulated with an interval of two impulses as a variable. The solution to that critical excitation problem is derived. An upper bound of the earthquake input energy is then derived by taking full advantage of the property of the energy transfer function that the area of the energy transfer function is constant. The relation of the double impulse to the corresponding one-cycle sinusoidal wave as a representative of near-fault pulse-type waves is also investigated.

  4. Numerical Solutions and Structures of Double Quantum Jet Solving by an Upwind Scheme

    Science.gov (United States)

    Lin, San-Yih

    2005-11-01

    The solutions of a double quantum jet are analyzed by solving the quantum fluid dynamical formulation (QFD) of the Schr"odinger equation. The QFD equations are obtained by expressing the Schr"odinger wave function as =ρ^1/2(iS/)and u=(u,v). In QFD, Q=-ρ-1/2δρ^1/2 is called as quantum potential. An upwind method is developed to solve the QFD equations. The method use a third-order upwind method to discrete convection terms and the central finite difference method to discrete the quantum potential. A fourth-order Runge-Kutta method is used for time marching. Two cases, one-dimensional free particle with external potential and two-dimensional free particle with external potential, are presented to illustrate the accuracy of the QFD solver. The computational results are compared well with the results obtained by solving the Schr"odinger equation. Finally, the QFD solver is applied to solve the solutions of a double quantum jet and to investigate its structures. First, a mathematical formulation is derived to describe the double quantum jet. The jet has the probability density equals 2 and the velocity equals 2 at the inlet of the jet. Then, the solutions are computed by the QFD solver. The structures of the solutions are affected by the strength of the quantum potential. The interesting phenomena of quantum clustering are found.

  5. The performance of double layer structure membrane prepared from flowing coagulant

    Science.gov (United States)

    Mieow Kee, Chan; Xeng, Anthony Leong Chan; Regal, Sasiskala; Singh, Balvinder; Raoo, Preeshaath; Koon Eu, Yap; Sok Choo, Ng

    2017-12-01

    Membrane with double layer structure is favourable as it exhibits smooth surface and macrovoids free structure. However, its’ performance in terms of permeability, porosity and strength has not been studied thoroughly. Additionally, the effect of flowing coagulant on the formation of double layer membrane has not been reported. Thus, the objective of this study is to investigate the performance of double layer membranes, which were prepared using flowing coagulant. Results showed that when the coagulant flow changed from laminar to turbulent, the pure water permeation of the membrane increased. It was due to the higher porosity in the membrane, which prepared by turbulent flow (CA-Turbulent) compared to the membrane which fabricated under laminar condition (CA-Laminar). This can be explained by the rapid solvent-coagulant exchange rate between the polymer solution and the turbulent coagulant. In term of strength, the tensile strength of the CA-Turbulent was ~32 MPa, which was 100% higher compared to CA-Laminar. This may due to the presence of large amount of nodules on its surface, which reduced the surface integrity. In conclusion, flowing coagulant altered the membrane properties and adopting turbulent coagulant flow in membrane fabrication would improve the porosity, surface roughness and the strength of the membrane.

  6. Agents of Structural Change : The Role of Firms and Entrepreneurs in Regional Diversification

    NARCIS (Netherlands)

    Neffke, Frank; Hartog, Matté|info:eu-repo/dai/nl/31590769X; Boschma, Ron|info:eu-repo/dai/nl/123155541; Henning, Martin

    2018-01-01

    Who introduces structural change in regional economies: Entrepreneurs or existing firms? And do local or nonlocal establishment founders create most novelty in a region? We develop a theoretical framework that focuses on the roles different agents play in regional transformation. We then apply this

  7. Converging and Competing Cues in the Acquisition of Syntactic Structures: The Conjoined Agent Intransitive

    Science.gov (United States)

    Noble, Claire; Iqbal, Faria; Lieven, Elena; Theakston, Anna

    2016-01-01

    In two studies we use a pointing task to explore developmentally the nature of the knowledge that underlies three- and four-year-old children's ability to assign meaning to the intransitive structure. The results suggest that early in development children are sensitive to a first-noun-as-causal-agent cue and animacy cues when interpreting…

  8. Studying Impact of Different Precipitating Agents on Crystal Structure, Morphology and Photocatalytic Activity of Bismuth Oxide

    Directory of Open Access Journals (Sweden)

    Yayuk Astuti

    2017-10-01

    How to Cite: Astuti, Y., Arnelli, Pardoyo, Fauziyah, A., Nurhayati, S., Wulansari, A.D., Andianingrum, R., Widiyandari, H., Bhaduri, G.A. (2017. Studying Impact of Different Precipitating Agents on Crystal Structure, Morphology and Photocatalytic Activity of Bismuth Oxide. Bulletin of Chemical Reaction Engineering & Catalysis, 12 (3: 478-484 (doi:10.9767/bcrec.12.3.1144.478-484

  9. Surface energy effect on free vibration of nano-sized piezoelectric double-shell structures

    Science.gov (United States)

    Fang, Xue-Qian; Zhu, Chang-Song; Liu, Jin-Xi; Liu, Xiang-Lin

    2018-01-01

    Combining Goldenveizer-Novozhilov shell theory, thin plate theory and electro-elastic surface theory, the size-dependent vibration of nano-sized piezoelectric double-shell structures under simply supported boundary condition is presented, and the surface energy effect on the natural frequencies is discussed. The displacement components of the cylindrical nano-shells and annular nano-plates are expanded as the superposition of standard Fourier series based on Hamilton's principle. The total stresses with consideration of surface energy effect are derived, and the total energy function is obtained by using Rayleigh-Ritz energy method. The free vibration equation is solved, and the natural frequency is analyzed. In numerical examples, it is found that the surface elastic constant, piezoelectric constant and surface residual stress show different effects on the natural frequencies. The effect of surface piezoelectric constant is the maximum. The effect of dimensions of the double-shell under different surface material properties is also examined.

  10. Analysis of fluid flow and heat transfer in a double pipe heat exchanger with porous structures

    International Nuclear Information System (INIS)

    Targui, N.; Kahalerras, H.

    2008-01-01

    A numerical study of flow and heat transfer characteristics is made in a double pipe heat exchanger with porous structures inserted in the annular gap in two configurations: on the inner cylinder (A) and on both the cylinders in a staggered fashion (B). The flow field in the porous regions is modelled by the Darcy-Brinkman-Forchheimer model and the finite volume method is used to solve the governing equations. The effects of several parameters such as Darcy number, porous structures thickness and spacing and thermal conductivity ratio are considered in order to look for the most appropriate properties of the porous structures that allow optimal heat transfer enhancement. It is found that the highest heat transfer rates are obtained when the porous structures are attached in configuration B especially at small spacing and high thicknesses

  11. Crystal structure and magnetic properties of double perovskite Mn2FeSbO6

    International Nuclear Information System (INIS)

    Tyutyunnik, A.P.; Bazuev, G.V.; Kuznetsov, M.V.; Zainulin, Yu.G.

    2011-01-01

    Graphical abstract: Projection along the cubic perovskite axes [0 0 1] of the double perovskite Mn 2 FeSbO 6 . Highlights: → Mn 2 FeSbO 6 is prepared from Mn 2 O 3 , Fe 2 O 3 and Sb 2 O 3 at 6 GPa and 1000 o C. → According to XPS measurements, manganese is present as Mn 2+ , the iron - as Fe 3+ . → This compound has the smallest unit cell among double perovskites. → It was suppose that Mn 2 FeSbO 6 exhibited antiferromagnetism below 19.5 K. -- Abstract: The double perovskite Mn 2 FeSbO 6 has been synthesized under pressure 6 GPa and temperature 1000 o C. The crystal structure refinement of Mn 2 FeSbO 6 was carried out with the GSAS program suite using X-ray diffraction data. XRD pattern of Mn 2 FeSbO 6 was indexed with a monoclinic unit cell (space group P2 1 /n) with parameters: a = 5.2431(3) A, b = 5.3935(3) A, c = 7.6358(5) A, β = 89.693(2) o , V = 215.927 A 3 , Z = 2. It found that Fe and Sb atoms are completely ordered in 2d and 2c positions of double perovskite structure respectively. According to XPS measurements, manganese in this compound is present as Mn 2+ , whiles the iron - as Fe 3+ . Magnetization measurements revealed the presence about 3 mass% of ferromagnetic impurity in the sample. Dependence of AC susceptibility χ'' from temperature showed that magnetic properties compound are determined probably by transformation in antiferromagnetic state below 19.5 K.

  12. In vivo comparison of tantalum, tungsten, and bismuth enteric contrast agents to complement intravenous iodine for double-contrast dual-energy CT of the bowel.

    Science.gov (United States)

    Rathnayake, Samira; Mongan, John; Torres, Andrew S; Colborn, Robert; Gao, Dong-Wei; Yeh, Benjamin M; Fu, Yanjun

    2016-07-01

    To assess the ability of dual-energy CT (DECT) to separate intravenous contrast of bowel wall from intraluminal contrast, we scanned 16 rabbits on a clinical DECT scanner: n = 3 using only iodinated intravenous contrast, and n = 13 double-contrast enhanced scans using iodinated intravenous contrast and experimental enteric non-iodinated contrast agents in the bowel lumen (five bismuth, four tungsten, and four tantalum based). Representative image pairs from conventional CT images and DECT iodine density maps of small bowel (116 pairs from 232 images) were viewed by four abdominal imaging attending radiologists to independently score each comparison pair on a visual analog scale (-100 to +100%) for (1) preference in small bowel wall visualization and (2) preference in completeness of intraluminal enteric contrast subtraction. Median small bowel wall visualization was scored 39 and 42 percentage points (95% CI 30-44% and 36-45%, both p bismuth contrast. Median completeness of intraluminal enteric contrast subtraction in double-contrast DECT iodine density maps was scored 28 and 29 percentage points (95% CI 15-31% and 28-33%, both p bismuth contrast. Results suggest that in vivo double-contrast DECT with iodinated intravenous and either tantalum- or tungsten-based enteric contrast provides better visualization of small bowel than conventional CT. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  13. Quantification of site-city interaction effects on the response of structure under double resonance condition

    Science.gov (United States)

    Kumar, Neeraj; Narayan, Jay Prakash

    2018-01-01

    This paper presents the site-city interaction (SCI) effects on the response of closely spaced structures under double resonance condition (F_{02{{D}}}^{{S}} = F_{02{{D}}}^{{B}}), where F_{02{{D}}}^{{S}} and F_{02{{D}}}^{{B}} are fundamental frequencies of 2-D structure and 2-D basin, respectively. This paper also presents the development of empirical relations to predict the F_{02{{D}}}^{{B}} of elliptical and trapezoidal basins for both the polarizations of the S wave. Simulated results revealed that F_{02{{D}}}^{{B}} of a 2-D basin very much depends on its geometry, shape ratio and polarization of the incident S wave. The obtained spectral amplification factor (SAF) at F_{02{{D}}}^{{S}} of a standalone structure in a 2-D basin is greater than that in the 1-D case under double resonance condition. A considerable reduction of the fundamental resonance frequency of structures due to the SCI effects is observed for both the polarizations of the S wave. The SAFs at F_{02{{D}}}^{{S}} of closely spaced structures due to SCI effects is larger in the case of SV than SH waves. A splitting of the fundamental-mode frequency bandwidth along with the drastic decrease of SAF due to the SCI effects is obtained. The findings of this paper raise the question concerning the validity of the predicted response of standalone structure based on soil-structure interaction for the design of structures in a 2-D small basin, in an urban environment.

  14. Double-targeting using a TrkC ligand conjugated to dipyrrometheneboron difluoride (BODIPY) based photodynamic therapy (PDT) agent.

    Science.gov (United States)

    Kamkaew, Anyanee; Burgess, Kevin

    2013-10-10

    A molecule 1 (IY-IY-PDT) was designed to contain a fragment (IY-IY) that targets the TrkC receptor and a photosensitizer that acts as an agent for photodynamic therapy (PDT). Molecule 1 had submicromolar photocytotoxicities to cells that were engineered to stably express TrkC (NIH3T3-TrkC) or that naturally express high levels of TrkC (SY5Y neuroblastoma lines). Control experiments showed that 1 is not cytotoxic in the dark and has significantly less photocytotoxicity toward cells that do not express TrkC (NIH3T3-WT). Other controls featuring a similar agent 2 (YI-YI-PDT), which is identical and isomeric with 1 except that the targeting region is scrambled (a YI-YI motif, see text), showed that 1 is considerably more photocytotoxic than 2 on TrkC(+) cells. Imaging live TrkC(+) cells after treatment with a fluorescent agent 1 (IY-IY-PDT) proved that 1 permeates into TrkC(+) cells and is localized in the lysosomes. This observation indirectly indicates that agent 1 enters the cells via the TrkC receptor. Consistent with this, the dose-dependent PDT effects of 1 can be competitively reduced by the natural TrkC ligand, neurotrophin NT3.

  15. Traders’ Networks of Interactions and Structural Properties of Financial Markets: An Agent-Based Approach

    Directory of Open Access Journals (Sweden)

    Linda Ponta

    2018-01-01

    Full Text Available An information-based multiasset artificial stock market characterized by different types of stocks and populated by heterogeneous agents is presented and studied so as to determine the influences of agents’ networks on the market’s structure. Agents are organized in networks that are responsible for the formation of the sentiments of the agents. In the market, agents trade risky assets in exchange for cash and share their sentiments by means of interactions that are determined by sparsely connected graphs. A central market maker (clearing house mechanism determines the price process for each stock at the intersection of the demand and the supply curves. A set of market’s structure indicators based on the main single-assets and multiassets stylized facts have been defined, in order to study the effects of the agents’ networks. Results point out an intrinsic structural resilience of the stock market. In fact, the network is necessary in order to archive the ability to reproduce the main stylized facts, but also the market has some characteristics that are independent from the network and depend on the finiteness of traders’ wealth.

  16. Structure and electronic states of a graphene double vacancy with an embedded Si dopant

    Science.gov (United States)

    Nieman, Reed; Aquino, Adélia J. A.; Hardcastle, Trevor P.; Kotakoski, Jani; Susi, Toma; Lischka, Hans

    2017-11-01

    Silicon represents a common intrinsic impurity in graphene, bonding to either three or four carbon neighbors, respectively, in a single or double carbon vacancy. We investigate the effect of the latter defect (Si-C4) on the structural and electronic properties of graphene using density functional theory. Calculations based both on molecular models and with periodic boundary conditions have been performed. The two-carbon vacancy was constructed from pyrene (pyrene-2C) which was then expanded to circumpyrene-2C. The structural characterization of these cases revealed that the ground state is slightly non-planar, with the bonding carbons displaced from the plane by up to ±0.2 Å. This non-planar structure was confirmed by embedding the defect into a 10 × 8 supercell of graphene, resulting in 0.22 eV lower energy than the previously considered planar structure. Natural bond orbital analysis showed sp3 hybridization at the silicon atom for the non-planar structure and sp2d hybridization for the planar structure. Atomically resolved electron energy loss spectroscopy and corresponding spectrum simulations provide a mixed picture: a flat structure provides a slightly better overall spectrum match, but a small observed pre-peak is only present in the corrugated simulation. Considering the small energy barrier between the two equivalent corrugated conformations, both structures could plausibly exist as a superposition over the experimental time scale of seconds.

  17. Prediction of atomic structure from sequence for double helical DNA oligomers.

    Science.gov (United States)

    Farwer, Jochen; Packer, Martin J; Hunter, Christopher A

    2006-01-01

    DNA can adopt different conformations depending on the base sequence, solvent, electrolyte composition and concentration, pH, temperature, and interaction with proteins. Here we present a model for calculating the three-dimensional atomic structure of double-stranded DNA oligomers. A theoretical energy function is used for calculating the interactions within the base steps and an empirical backbone function is used to restrict the conformational space accessible to the bases and to account for the conformational coupling of neighboring steps in a sequence. Conformational searching on large structures or a large number of structures is possible, because each base step can be described by just two primary degrees of freedom (slide and shift). A genetic algorithm is used to search for low-energy structures in slide-shift space, and this allows very rapid optimization of DNA oligomers. The other base step parameters have been previously optimized for all possible slide-shift sequence combinations, and a heuristic algorithm is used to add the atomic details of the backbone conformation in the final step of the calculation. The structures obtained by this method are very similar to the corresponding X-ray crystal structures observed experimentally. The average RMSD is 2.24 Angstroms for a set of 20 oligomer structures. For 15 of these sequences, the X-ray crystal structure is the global energy minimum. The other 5 are bistable sequences that have B-form global energy minima but crystallize as A-DNA. Copyright 2005 Wiley Periodicals, Inc.

  18. Bolted join strength under parallel to grain double shear in guadua angustifolia structures

    Directory of Open Access Journals (Sweden)

    Fabián Augusto Lamus Báez

    2014-01-01

    Full Text Available In a bolted joint of structures that use Guadua angustifolia as the main supporting material, the resistance to the double metal shears paralleled to fiber could be influenced by an extensive list of parameters including parallel to fiber crushing resistance, parallel to metal fiber resistance of the wall and the contact area between elements in the joint. This paper presents experimental results for the resistance to the double metal shears paralleled to fiber, when the element is loaded under compression, for different culm diameters. Moreover, we studied the influence of the bolt diameter and culm thickness in the joint resistance. The tests were conducted on specimens of Guadua angustifolia with variable diameters between seven and fourteen centimeter where bolts of 3/8, 1/2 and 3/4" diameter were used. The Guadua tested came from the outskirts of Armenia in Colombia. It was found that the great amount of the double metal shears paralleled to fiber in the joint is provided by parallel to fiber crushing resistance of the Guadua.

  19. Double taxation conventions, structure and evolution of the american tax system

    Directory of Open Access Journals (Sweden)

    Dumiter Florin

    2016-06-01

    Full Text Available This article is intended as a retrospective survey of the comprehensiveness of the tax system, in the broad sense, and the US tax system, in a stricter sense, in terms of structuring model and application of tax levies, as well as the taxation applied to each public financial income category. The topic chosen is based on the idea that the US tax system is different from the European system, while also considering that the USA is the world leader in business, trade and investment, and seen as a true “streamliner” of the world. The US economy is strongly influenced by sectors that prevail at the federal level: industry, education, trade, telecommunications, and transportation. The research methodology used in this article consists of a comprehensive analysis of key concepts regarding tax levying activities, providing an explanation of the tax policy, a critical analysis of the US system in terms of tax legislation, and a history of international double taxation conventions concluded by the US with other countries, given that the USA may be an archetype (best practice in terms of the double taxation agreements network, regarding both the number of countries with which they have been concluded, and the types of agreements on income and capital. In our opinion, the results of this study indicate the optimal technical framework used by the American system to identify and implement the most sustainable methods, techniques and procedures in order to reduce the scope of international double taxation on income and capital worldwide.

  20. Adsorption of water to double-network polymers having a hierarchical structure

    International Nuclear Information System (INIS)

    Tominaga, Taiki; Takata, Shin-ichi; Suzuki, Jun-ichi; Aizawa, Kazuya; Arai, Masatoshi; Seto, Hideki

    2014-01-01

    Double-network hydrogels (DN-gels) have cross-linked aqueous polymer networks which result in unique mechanical properties [1,2]. Although the structure of the hydrophilic polymer networks have been previously determined [3,4,5], it was not clear how water molecules are adsorbed to the polymer network. We prepared freeze-dried DN-gels (DN-polymers) made of polyacrylamide and sodium salt of poly(2-acrylamido-2-methylpropane sulfonic acid), and small-angle neutron scattering (SANS) experiments were conducted to determine the humidity dependence of the nanoscale structure. The SANS results show that water molecules adsorb on larger structures than the mesh size of polymer networks at low relative humidity (RH), and adsorb gradually on the segmental scale of polymers with increasing RH.

  1. Traffic Load on Interconnection Lines of Generalized Double Ring Network Structures

    DEFF Research Database (Denmark)

    Pedersen, Jens Myrup; Riaz, Muhammad Tahir; Madsen, Ole Brun

    2004-01-01

    consists of two planar rings, which are easily embedded by fiber or other wired solutions. It is shown that for large N2R structures, the interconnection lines carry notably lower loads than the other lines if shortest-path routing is used, and the effects of two other routing schemes are explored, leading......Generalized Double Ring (N2R) network structures possess a number of good properties, but being not planar they are hard to physically embed in communication networks. However, if some of the lines, the interconnection lines, are implemented by wireless technologies, the remaining structure...... to lower load on interconnection lines at the price of larger efficient average distance and diameter....

  2. Dynamics and stability of radiation-driven double ablation front structures

    International Nuclear Information System (INIS)

    Drean, V.; Olazabal-Loume, M.; Tikhonchuk, V. T.; Sanz, J.

    2010-01-01

    The dynamics of double ablation front (DAF) structures is studied for planar targets with moderate atomic number ablators. These structures are obtained in hydrodynamic simulations for various materials and laser intensities and are qualitatively characterized during the acceleration stage of the target. The importance of the radiative transport for the DAF dynamics is then demonstrated. Simulated hydrodynamic profiles are compared with a theoretical model, showing the consistency of the model and the relevant parameters for the dynamics description. The stability of DAF structures with respect to two-dimensional perturbations is studied using two different approaches: one considers the assumptions of the theoretical model and the other one a more complete physics. The numerical simulations performed with both approaches demonstrate good agreement of dispersion curves.

  3. Asymmetric double quantum well structure as a tunable detector in the far-infrared range

    CERN Document Server

    Shin, U; Park, M J; Lee, S J

    1999-01-01

    The eigenvalues and the wave functions of GaAs/Al sub x Ga sub 1 sub - sub x As asymmetric double quantum well structure have been calculated by using of complex energy method. Based on theoretical calculations, tuning ranges from 9 to 14 mu m are predicted for the proposed asymmetric coupled-quantum-well structure. In addition we calculated the energy eigenvalues and the wave functions of an electron in GaAs/Al sub x Ga sub 1 sub - sub x As single quantum well structure (including delta-perturbation). the variation in E sub 1 , the ground state energy eigenvalue of the electron, depends on the strength and position of the perturbation within the well.

  4. Formation and rejoining of deoxyribonucleic acid double-strand breaks induced in isolated cell nuclei by antineoplastic intercalating agents.

    Science.gov (United States)

    Pommier, Y; Schwartz, R E; Kohn, K W; Zwelling, L A

    1984-07-03

    The biochemical characteristics of the formation and disappearance of intercalator-induced DNA double-strand breaks (DSB) were studied in nuclei from mouse leukemia L1210 cells by using filter elution methodology [Bradley, M. O., & Kohn, K.W. (1979) Nucleic Acids Res. 7, 793-804]. The three intercalators used were 4'-(9-acridinylamino)-methanesulfon-m-anisidide (m-AMSA), 5-iminodaunorubicin (5-ID), and ellipticine. These compounds differ in that they produced predominantly DNA single-strand breaks (SSB) (m-AMSA) or predominantly DNA double-strand breaks (ellipticine) or a mixture of both SSB and DSB (5-ID) in whole cells. In isolated nuclei, each intercalator produced DSB at a frequency comparable to that which is produced in whole cells. Moreover, these DNA breaks reversed within 30 min after drug removal. It thus appeared that neither ATP nor other nucleotides were necessary for intercalator-dependent DNA nicking-closing reactions. The formation of the intercalator-induced DSB was reduced at ice temperature. Break formation was also reduced in the absence of magnesium, at a pH above 6.4 and at NaCl concentrations above 200 mM. In the presence of ATP and ATP analogues, the intercalator-induced cleavage was enhanced. These results suggest that the intercalator-induced DSB are enzymatically mediated and that the enzymes involved in these reactions can catalyze DNA double-strand cleavage and rejoining in the absence of ATP, although the occupancy of an ATP binding site might convert the enzyme to a form more reactive to intercalators. Three inhibitors of DNA topoisomerase II--novobiocin, nalidixic acid, and norfloxacin--reduced the formation of DNA strand breaks.(ABSTRACT TRUNCATED AT 250 WORDS)

  5. The double-edged sword of (re)expression of genes by hypomethylating agents: from viral mimicry to exploitation as priming agents for targeted immune checkpoint modulation.

    Science.gov (United States)

    Wolff, Florian; Leisch, Michael; Greil, Richard; Risch, Angela; Pleyer, Lisa

    2017-03-31

    Hypomethylating agents (HMAs) have been widely used over the last decade, approved for use in myelodysplastic syndrome (MDS), chronic myelomonocytic leukemia (CMML) and acute myeloid leukemia (AML). The proposed central mechanism of action of HMAs, is the reversal of aberrant methylation in tumor cells, thus reactivating CpG-island promoters and leading to (re)expression of tumor suppressor genes. Recent investigations into the mode of action of azacitidine (AZA) and decitabine (DAC) have revealed new molecular mechanisms that impinge on tumor immunity via induction of an interferon response, through activation of endogenous retroviral elements (ERVs) that are normally epigenetically silenced. Although the global demethylation of DNA by HMAs can induce anti-tumor effects, it can also upregulate the expression of inhibitory immune checkpoint receptors and their ligands, resulting in secondary resistance to HMAs. Recent studies have, however, suggested that this could be exploited to prime or (re)sensitize tumors to immune checkpoint inhibitor therapies. In recent years, immune checkpoints have been targeted by novel therapies, with the aim of (re)activating the host immune system to specifically eliminate malignant cells. Antibodies blocking checkpoint receptors have been FDA-approved for some solid tumors and a plethora of clinical trials testing these and other checkpoint inhibitors are under way. This review will discuss AZA and DAC novel mechanisms of action resulting from the re-expression of pathologically hypermethylated promoters of gene sets that are related to interferon signaling, antigen presentation and inflammation. We also review new insights into the molecular mechanisms of action of transient, low-dose HMAs on various tumor types and discuss the potential of new treatment options and combinations.

  6. Hydrodynamic stability theory of double ablation front structures in inertial confinement fusion

    International Nuclear Information System (INIS)

    Yanez Vico, C.

    2012-11-01

    For moderate-Z materials, the hydrodynamic structure of the ablation region formed by the irradiation of high intensity laser beams differs from that of low-Z materials (hydrogenic ablators). In particular, the role played by the radiative energy flux becomes non-negligible for increasing atomic number material and ended up forming a second ablation front. This structure of two separated ablation fronts, called double ablation (DA) front, was confirmed in the simulations carried out by Fujioka et al. In this work a linear stability theory of DA fronts is developed for direct-drive inertial confinement fusion targets. Two models are proposed. First, a sharp boundary model where the thin front approximation is assumed for both ablation fronts. The information about the corona region that permits to close the sharp boundary model is obtained from a prior self-consistent analysis of the electronic-radiative ablation (ERA) front. Numerical results are presented as well as an analytical approach for the radiation dominated regime of very steep double ablation front structure. Second, a self-consistent numerical method where the finite length of the ablation fronts is considered. Accurate hydrodynamic profiles are taken into account in the theoretical model by means of a fitting parameters method using one-dimensional simulation results. Numerical dispersion relation is compared to the analytical sharp boundary model showing an excellent agreement for the radiation dominated regime, and the stabilization due to smooth profiles. 2D simulations are presented to validate the linear stability theory

  7. Reduction of skin effect losses in double-level-T-gate structure

    Energy Technology Data Exchange (ETDEWEB)

    Mikulics, M., E-mail: m.mikulics@fz-juelich.de; Hardtdegen, H.; Arango, Y. C.; Adam, R.; Fox, A.; Grützmacher, D. [Peter Grünberg Institute (PGI-9), Forschungszentrum Jülich, D-52425 Jülich (Germany); Jülich-Aachen Research Alliance, JARA, Fundamentals of Future Information Technology, D-52425 Jülich (Germany); Gregušová, D.; Novák, J. [Institute of Electrical Engineering, Slovak Academy of Sciences, SK-84104 Bratislava (Slovakia); Stanček, S. [Department of Nuclear Physic and Technique, Slovak University of Technology, SK-81219 Bratislava (Slovakia); Kordoš, P. [Institute of Electronics and Photonics, Slovak University of Technology, SK-81219 Bratislava (Slovakia); Sofer, Z. [Department of Inorganic Chemistry, Institute of Chemical Technology, Technická 5, Prague 6 (Czech Republic); Juul, L.; Marso, M. [Faculté des Sciences, de la Technologie et de la Communication, Université du Luxembourg, L-1359 Luxembourg (Luxembourg)

    2014-12-08

    We developed a T-gate technology based on selective wet etching yielding 200 nm wide T-gate structures used for fabrication of High Electron Mobility Transistors (HEMT). Major advantages of our process are the use of only standard photolithographic process and the ability to generate T-gate stacks. A HEMT fabricated on AlGaN/GaN/sapphire with gate length L{sub g} = 200 nm and double-stacked T-gates exhibits 60 GHz cutoff frequency showing ten-fold improvement compared to 6 GHz for the same device with 2 μm gate length. HEMTs with a double-level-T-gate (DLTG) structure exhibit up to 35% improvement of f{sub max} value compared to a single T-gate device. This indicates a significant reduction of skin effect losses in DLTG structure compared to its standard T-gate counterpart. These results agree with the theoretical predictions.

  8. Adsorption performance of salicylic acid on a novel resin with distinctive double pore structure.

    Science.gov (United States)

    Xiao, Guqing; Wen, Ruiming; Liu, Aijiao; He, Guowen; Wu, Dan

    2017-05-05

    Two approaches were used to synthesize two resins with different pore structures. In one way, the CH 2 Cl groups in macroporous chloromethylated polystyrene resin were transformed to methylene bridges, and achieved a hypercrosslinked resin with plentiful micropores (denoted GQ-06). In the other way, 50% of the CH 2 Cl groups in chloromethylated polystyrene resin was used to produce micropores, while the residual 50% of the CH 2 Cl groups was reacted with 2-aminopyridine, and prepared another resin with double pore structure of hypercrosslinked resin and macroporous resin (denoted GQ-11). The adsorption of salicylic acid (SA) on GQ-11 was investigated using GQ-06 as the reference adsorbent. The effect of pH on the adsorption of SA on GQ-06 was consistent with the dissociation curve of SA. The maximum adsorption capacity of SA on GQ-11 was observed at the solution pH of 2.64. The greater adsorption rate of SA on GQ-11 than that of GQ-06 was attributed to its double pore structure. The multifunctional adsorption mechanism of anion exchange and hydrophobic interaction resulted in the larger equilibrium capacity of SA on GQ-11 than that of GQ-06. GQ-06 and GQ-11 could be regenerated by absolute alcohol and 80% of alcohol -0.5mol/L of sodium hydroxide aqueous solution, respectively. Copyright © 2017 Elsevier B.V. All rights reserved.

  9. Structural phase transitions in the ordered double perovskite Sr2MnTeO6

    International Nuclear Information System (INIS)

    Ortega-San Martin, L; Chapman, J P; Hernandez-Bocanegra, E; Insausti, M; Arriortua, M I; Rojo, T

    2004-01-01

    The crystal structure of the ordered double perovskite Sr 2 MnTeO 6 has been refined at ambient temperature from high resolution neutron and x-ray powder diffraction data in the monoclinic space group P 12 1 /n 1 with a 5.7009(1) A, b = 5.6770(1) A, c = 8.0334(1) A and β = 90.085(1) deg. This represents a combination of in-phase (+) and out-of-phase (-) rotations of virtually undistorted MnO 6 and TeO 6 octahedra in the (-+) sense about the axes of the ideal cubic perovskite. High temperature x-ray powder diffraction shows three structural phase transitions at approximately 250, 550 and 675 deg. C, each corresponding to the disappearance of rotations about one of these axes. The first transition was analysed by differential scanning calorimetry and showed a thermal hysteresis with an enthalpy of 0.55 J g -1 . We propose the (P12 1 /n1 → I12/m1 → I4/m → Fm3barm) sequence of structural transitions which has not been previously reported for a double perovskite oxide

  10. Post heat treatment effects on double layer metal structures for VLSI applications

    Science.gov (United States)

    Wade, T. E.; Trotter, J. D.

    1978-01-01

    The realization of high yield double layer metal systems using wet chemistry processes and the ability to extend yields beyond that attainable with wet chemistry by means of post sintering processes at temperatures below 500 C for potential applications in very large scale integration structures were studied. Yields in excess of 98% and average total contact resistance of less than 150 ohms and 200 ohms were realized for a series of 560 vias of 0.5 X 0.5 mils and 0.2 X 0.2 mils in size, respectively.

  11. High-sensitive nonlinear detection of steroids by resonant double grating waveguide structures-based immunosensors

    Science.gov (United States)

    Muriano, Alejandro; Salvador, J.-Pablo; Galve, Roger; Marco, M.-Pilar; Thayil K. N., Anisha; Loza-Alvarez, Pablo; Soria, Silvia

    2011-01-01

    We report the non linear fluorescence real-time detection of methylboldenone, an androgenic anabolic steroid used illegally as growth promoter based on a resonant sensing chip: a double grating waveguide structure. The limit of detection of this synthetic steroid is two orders of magnitude lower than the Minimum Required Performance Limit required by the World Anti-Doping Agency. The immunoreagents have been have been immobilized onto the surface of the resonant sensor after being activated with phosphonohexanoic acid spacers. The developed immunosensor presents great potential as a robust sensing device for fast and early detection of illegal dopants and food contaminants.

  12. Detection of overlay error in double patterning gratings using phase-structured illumination.

    Science.gov (United States)

    Peterhänsel, Sandy; Gödecke, Maria Laura; Paz, Valeriano Ferreras; Frenner, Karsten; Osten, Wolfgang

    2015-09-21

    With the help of simulations we study the benefits of using coherent, phase-structured illumination to detect the overlay error in resist gratings fabricated by double patterning. Evaluating the intensity and phase distribution along the focused spot of a high numerical aperture microscope, the capability of detecting magnitude and direction of overlay errors in the range of a few nanometers is investigated for a wide range of gratings. Furthermore, two measurement approaches are presented and tested for their reliability in the presence of white Gaussian noise.

  13. Periodic grating structures on metal self-organized by double-pulse irradiation

    Czech Academy of Sciences Publication Activity Database

    Hashida, M.; Gemini, Laura; Nishii, T.; Miyasaka, Y.; Sakagami, H.; Shimizu, M.; Inoue, S.; Limpouch, J.; Mocek, Tomáš; Sakabe, S.

    2014-01-01

    Roč. 9, č. 3 (2014), s. 234-237 ISSN 1880-0688 R&D Projects: GA MŠk ED2.1.00/01.0027; GA MŠk EE2.3.20.0143 Grant - others:HILASE(XE) CZ.1.05/2.1.00/01.0027; OP VK 6(XE) CZ.1.07/2.3.00/20.0143 Institutional support: RVO:68378271 Keywords : periodic grating structures * titanium * femtosecond laser * double-pulse irradiation Subject RIV: BH - Optics, Masers, Lasers Impact factor: 1.008, year: 2014

  14. Investigation of structural and electronic properties of double walled Zn O nano tube bundle

    International Nuclear Information System (INIS)

    Moradian, R.; Amjadian, S.; Shahrokhi, M.

    2012-01-01

    We have investigated the structural and electronic properties of isolated double walled Zn O nano tube and its bundle by the first principles calculations in the framework of the density functional theory based on the full-potential augmented plane-wave within the generalized gradient approximation. Our results show that bundle nano tube is more stable than isolated nano tube. In the bundle the inter-tube interaction between each wall with its nearest neighbors causes, band splitting and reduction of semiconducting energy gap.

  15. Revealing the Interface Structure and Bonding Mechanism of Coupling Agent Treated WPC

    Directory of Open Access Journals (Sweden)

    Jiuping Rao

    2018-03-01

    Full Text Available This paper presents the interfacial optimisation of wood plastic composites (WPC based on recycled wood flour and polyethylene by employing maleated and silane coupling agents. The effect of the incorporation of the coupling agents on the variation of chemical structure of the composites were investigated by Attenuated total reflectance-Fourier Transform Infrared spectroscopy (ATR-FTIR and Solid state 13C Nuclear Magnetic Resonance spectroscopy (NMR analyses. The results revealed the chemical reactions that occurred between the coupling agents and raw materials, which thus contributed to the enhancement of compatibility and interfacial adhesion between the constituents of WPC. NMR results also indicated that there existed the transformation of crystalline cellulose to an amorphous state during the coupling agent treatments, reflecting the inferior resonance of crystalline carbohydrates. Fluorescence Microscope (FM and Scanning Electron Microscope (SEM analyses showed the improvements of wood particle dispersion and wettability, compatibility of the constituents, and resin penetration, and impregnation of the composites after the coupling agent treatments. The optimised interface of the composites was attributed to interdiffusion, electrostatic adhesion, chemical reactions, and mechanical interlocking bonding mechanisms.

  16. Agent-Based Modeling of China's Rural-Urban Migration and Social Network Structure.

    Science.gov (United States)

    Fu, Zhaohao; Hao, Lingxin

    2018-01-15

    We analyze China's rural-urban migration and endogenous social network structures using agent-based modeling. The agents from census micro data are located in their rural origin with an empirical-estimated prior propensity to move. The population-scale social network is a hybrid one, combining observed family ties and locations of the origin with a parameter space calibrated from census, survey and aggregate data and sampled using a stepwise Latin Hypercube Sampling method. At monthly intervals, some agents migrate and these migratory acts change the social network by turning within-nonmigrant connections to between-migrant-nonmigrant connections, turning local connections to nonlocal connections, and adding among-migrant connections. In turn, the changing social network structure updates migratory propensities of those well-connected nonmigrants who become more likely to move. These two processes iterate over time. Using a core-periphery method developed from the k -core decomposition method, we identify and quantify the network structural changes and map these changes with the migration acceleration patterns. We conclude that network structural changes are essential for explaining migration acceleration observed in China during the 1995-2000 period.

  17. Agent-based modeling of China's rural-urban migration and social network structure

    Science.gov (United States)

    Fu, Zhaohao; Hao, Lingxin

    2018-01-01

    We analyze China's rural-urban migration and endogenous social network structures using agent-based modeling. The agents from census micro data are located in their rural origin with an empirical-estimated prior propensity to move. The population-scale social network is a hybrid one, combining observed family ties and locations of the origin with a parameter space calibrated from census, survey and aggregate data and sampled using a stepwise Latin Hypercube Sampling method. At monthly intervals, some agents migrate and these migratory acts change the social network by turning within-nonmigrant connections to between-migrant-nonmigrant connections, turning local connections to nonlocal connections, and adding among-migrant connections. In turn, the changing social network structure updates migratory propensities of those well-connected nonmigrants who become more likely to move. These two processes iterate over time. Using a core-periphery method developed from the k-core decomposition method, we identify and quantify the network structural changes and map these changes with the migration acceleration patterns. We conclude that network structural changes are essential for explaining migration acceleration observed in China during the 1995-2000 period.

  18. Recent advances in the development of antiviral agents using computer-aided structure based approaches.

    Science.gov (United States)

    Kumar, Vikash; Chandra, Sharat; Siddiqi, Mohammad Imran

    2014-01-01

    Viral diseases have been affecting the human race since ancient times. Currently, a long list of diseases caused by the viruses is available and extensive research in this area has resulted in understanding the finest details of the molecular mechanism of pathogenesis caused by these pathogens. Side by side, efforts have been made towards the search and design of antiviral agents that could interfere with viral pathogenesis. As a result of these efforts a number of effective antiviral agents have been developed and are available in the market. However, the high cost and lengthy protocol of the drug discovery process are some of the major limiting factors in the development of new and more effective antiviral agents. Considering the above fact, presently the research community is trying to integrate short and cost effective techniques in the modern drug discovery process for the identification and design of novel antiviral agents. Computeraided drug design (CADD), which comprises of various techniques like molecular docking, virtual screening, three dimensional quantitative structure activity relationship (3D-QSAR) studies and many more, has the capability to speed up the antiviral drug development process. Successful design of antiviral drugs like Relenza, Saquinavir and Tamiflu have validated application of these techniques and holds a bright future in drug discovery protocol. This review explores the role of CADD in antiviral drug development and highlights the recent advances in antiviral drug research using computer-aided structure based approaches.

  19. Structural stability of DNA origami nanostructures in the presence of chaotropic agents.

    Science.gov (United States)

    Ramakrishnan, Saminathan; Krainer, Georg; Grundmeier, Guido; Schlierf, Michael; Keller, Adrian

    2016-05-21

    DNA origami represent powerful platforms for single-molecule investigations of biomolecular processes. The required structural integrity of the DNA origami may, however, pose significant limitations regarding their applicability, for instance in protein folding studies that require strongly denaturing conditions. Here, we therefore report a detailed study on the stability of 2D DNA origami triangles in the presence of the strong chaotropic denaturing agents urea and guanidinium chloride (GdmCl) and its dependence on concentration and temperature. At room temperature, the DNA origami triangles are stable up to at least 24 h in both denaturants at concentrations as high as 6 M. At elevated temperatures, however, structural stability is governed by variations in the melting temperature of the individual staple strands. Therefore, the global melting temperature of the DNA origami does not represent an accurate measure of their structural stability. Although GdmCl has a stronger effect on the global melting temperature, its attack results in less structural damage than observed for urea under equivalent conditions. This enhanced structural stability most likely originates from the ionic nature of GdmCl. By rational design of the arrangement and lengths of the individual staple strands used for the folding of a particular shape, however, the structural stability of DNA origami may be enhanced even further to meet individual experimental requirements. Overall, their high stability renders DNA origami promising platforms for biomolecular studies in the presence of chaotropic agents, including single-molecule protein folding or structural switching.

  20. Adjustable threshold-voltage in all-inkjet-printed organic thin film transistor using double-layer dielectric structures

    International Nuclear Information System (INIS)

    Wu, Wen-Jong; Lee, Chang-Hung; Hsu, Chun-Hao; Yang, Shih-Hsien; Lin, Chih-Ting

    2013-01-01

    An all-inkjet-printed organic thin film transistor (OTFT) with a double-layer dielectric structure is proposed and implemented in this study. By using the double-layer structure with different dielectric materials (i.e., polyvinylphenol with poly(vinylidene fluoride-co-hexafluoropropylene)), the threshold-voltage of OTFT can be adjusted. The threshold-voltage shift can be controlled by changing the composition of dielectric layers. That is, an enhancement-mode OTFT can be converted to a depletion-mode OTFT by selectively printing additional dielectric layers to form a high-k/low-k double-layer structure. The printed OTFT has a carrier mobility of 5.0 × 10 −3 cm 2 /V-s. The threshold-voltages of the OTFTs ranged between − 13 V and 10 V. This study demonstrates an additional design parameter for organic electronics manufactured using inkjet printing technology. - Highlights: • A double-layer dielectric organic thin film transistor, OTFT, is implemented. • The threshold voltage of OTFT can be configured by the double dielectric structure. • The composition of the dielectric determines the threshold voltage shift. • The characteristics of OTFTs can be adjusted by double dielectric structures

  1. Comparing large-scale computational approaches to epidemic modeling: Agent-based versus structured metapopulation models

    Directory of Open Access Journals (Sweden)

    Merler Stefano

    2010-06-01

    Full Text Available Abstract Background In recent years large-scale computational models for the realistic simulation of epidemic outbreaks have been used with increased frequency. Methodologies adapt to the scale of interest and range from very detailed agent-based models to spatially-structured metapopulation models. One major issue thus concerns to what extent the geotemporal spreading pattern found by different modeling approaches may differ and depend on the different approximations and assumptions used. Methods We provide for the first time a side-by-side comparison of the results obtained with a stochastic agent-based model and a structured metapopulation stochastic model for the progression of a baseline pandemic event in Italy, a large and geographically heterogeneous European country. The agent-based model is based on the explicit representation of the Italian population through highly detailed data on the socio-demographic structure. The metapopulation simulations use the GLobal Epidemic and Mobility (GLEaM model, based on high-resolution census data worldwide, and integrating airline travel flow data with short-range human mobility patterns at the global scale. The model also considers age structure data for Italy. GLEaM and the agent-based models are synchronized in their initial conditions by using the same disease parameterization, and by defining the same importation of infected cases from international travels. Results The results obtained show that both models provide epidemic patterns that are in very good agreement at the granularity levels accessible by both approaches, with differences in peak timing on the order of a few days. The relative difference of the epidemic size depends on the basic reproductive ratio, R0, and on the fact that the metapopulation model consistently yields a larger incidence than the agent-based model, as expected due to the differences in the structure in the intra-population contact pattern of the approaches. The age

  2. Comparing large-scale computational approaches to epidemic modeling: agent-based versus structured metapopulation models.

    Science.gov (United States)

    Ajelli, Marco; Gonçalves, Bruno; Balcan, Duygu; Colizza, Vittoria; Hu, Hao; Ramasco, José J; Merler, Stefano; Vespignani, Alessandro

    2010-06-29

    In recent years large-scale computational models for the realistic simulation of epidemic outbreaks have been used with increased frequency. Methodologies adapt to the scale of interest and range from very detailed agent-based models to spatially-structured metapopulation models. One major issue thus concerns to what extent the geotemporal spreading pattern found by different modeling approaches may differ and depend on the different approximations and assumptions used. We provide for the first time a side-by-side comparison of the results obtained with a stochastic agent-based model and a structured metapopulation stochastic model for the progression of a baseline pandemic event in Italy, a large and geographically heterogeneous European country. The agent-based model is based on the explicit representation of the Italian population through highly detailed data on the socio-demographic structure. The metapopulation simulations use the GLobal Epidemic and Mobility (GLEaM) model, based on high-resolution census data worldwide, and integrating airline travel flow data with short-range human mobility patterns at the global scale. The model also considers age structure data for Italy. GLEaM and the agent-based models are synchronized in their initial conditions by using the same disease parameterization, and by defining the same importation of infected cases from international travels. The results obtained show that both models provide epidemic patterns that are in very good agreement at the granularity levels accessible by both approaches, with differences in peak timing on the order of a few days. The relative difference of the epidemic size depends on the basic reproductive ratio, R0, and on the fact that the metapopulation model consistently yields a larger incidence than the agent-based model, as expected due to the differences in the structure in the intra-population contact pattern of the approaches. The age breakdown analysis shows that similar attack rates are

  3. Synthesis and characterization of Al-TON zeolite using a dialkylimizadolium as structure-directing agent

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, Christian Wittee; Pergher, Sibele Berenice Castella, E-mail: chriswittee@gmail.com [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil); Villarroel-Rocha, Jhonny [Laboratorio de Solidos Porosos, Instituto de Fisica Aplicada, Universidad Nacional de San Luis, Chacabuco, San Luis (Argentina); Silva, Bernardo Araldi Da; Mignoni, Marcelo Luis [Universidade Regional Integrada, Erechim, RS (Brazil)

    2016-11-15

    In this work, the synthesis of zeolites using 1-butyl-3-methylimidazolium chloride [C{sub 4}MI]Cl as a structure-directing agent was investigated. The organic cation shows effectiveness and selectivity for the syntheses of TON zeolites under different reaction conditions compared to the traditional structure directing agent, 1,8-diaminooctane. The 1-butyl-3-methylimidazolium cation lead to highly crystalline materials and its role as OSDA in our synthesis conditions has been confirmed by characterization techniques. ICP-OES confirms the presence of Al in the samples and {sup 27}Al MAS NMR analysis indicated that aluminum atoms were incorporated in tetrahedral coordination. Scanning electron microscopy indicated that changing the crystallization condition (static or stirring), zeolites with different crystal size were obtained, which consequently affects the textural properties of the zeolites. Moreover, varying some synthesis parameters MFI zeolite can also be obtained. (author)

  4. Internal structure analysis of particle-double network gels used in a gel organ replica

    Science.gov (United States)

    Abe, Mei; Arai, Masanori; Saito, Azusa; Sakai, Kazuyuki; Kawakami, Masaru; Furukawa, Hidemitsu

    2016-04-01

    In recent years, the fabrication of patient organ replicas using 3D printers has been attracting a great deal of attention in medical fields. However, the cost of these organ replicas is very high as it is necessary to employ very expensive 3D printers and printing materials. Here we present a new gel organ replica, of human kidney, fabricated with a conventional molding technique, using a particle-double network hydrogel (P-DN gel). The replica is transparent and has the feel of a real kidney. It is expected that gel organ replicas produced this way will be a useful tool for the education of trainee surgeons and clinical ultrasonography technologists. In addition to developing a gel organ replica, the internal structure of the P-DN gel used is also discussed. Because the P-DN gel has a complex structure comprised of two different types of network, it has not been possible to investigate them internally in detail. Gels have an inhomogeneous network structure. If it is able to get a more uniform structure, it is considered that this would lead to higher strength in the gel. In the present study we investigate the structure of P-DN gel, using the gel organ replica. We investigated the internal structure of P-DN gel using Scanning Microscopic Light Scattering (SMILS), a non-contacting and non-destructive.

  5. Clinical performance of cements as luting agents for telescopic double crown-retained removable partial and complete overdentures.

    Science.gov (United States)

    Behr, Michael; Kolbeck, Carola; Lang, Reinhold; Hahnel, Sebastian; Dirschl, Lisa; Handel, Gerhard

    2009-01-01

    The aim of this study was to investigate the survival rates and technical failures of removable prostheses (RPs) supported by telescopic double crown (TDC)-retained abutment teeth luted with zinc-phosphate or glass-ionomer cement. Clinical records of 577 patients (288 women, 289 men) who received 577 TDC-retained RPs supported by 1,807 abutments at the Department of Prosthodontics of the University Hospital Regensburg, Regensburg, Germany, between 1984 and 2007 were analyzed. The 577 prostheses included 200 attached to telescopic crowns with friction fit (FFs), 62 to conical crowns (CCs), and 315 to parallel-sided telescopic crowns with clearance fit (CFs). Survival probabilities were evaluated for the RPs, loss of cementation of the inner copings, secondary caries, and abutment teeth that required endodontic treatment using the Kaplan-Meier method. A Cox regression analysis determined the impact of covariates such as sex, denture location (maxilla/mandible), Eichner classification, number of abutment teeth, and the type of double crown system used. The 10-year survival probability was 98.8% +/- 0.09% for FFs, 92.9% +/- 0.41% for CCs, and 86.6% +/- 0.05% for CFs. During the observation period, loss of cementation was frequently observed (FFs: 32%, CCs: 53.2%, CFs: 21.3%). After 15 years, more than 75% of patients had experienced at least one "loss of cementation" event. In this respect, zinc-oxide phosphate and glass-ionomer cements did not show any significant difference. The long-term successful outcome of the RP experience was not compromised, although numerous clinical visits were required for maintenance. The predominant maintenance procedure was the need for recementation of the inner copings.

  6. Structured Lyapunov functions for synchronization of identical affine-in-control agents-Unified approach

    Czech Academy of Sciences Publication Activity Database

    Hengster-Movric, K.; Šebek, M.; Čelikovský, Sergej

    2016-01-01

    Roč. 353, č. 14 (2016), s. 3457-3486 ISSN 0016-0032 R&D Projects: GA ČR GA13-20433S Grant - others:GA ČR(CZ) GJ16-25493Y Institutional support: RVO:67985556 Keywords : Multi-agent nonlinear systems * structured Lyapunov functions Subject RIV: BC - Control Systems Theory Impact factor: 3.139, year: 2016 http://library.utia.cas.cz/separaty/2016/TR/celikovsky-0462691.pdf

  7. Conformational Structure of Tyrosine, Tyrosyl-Glycine, and Tyrosyl-Glycyl-Glycine by Double Resonance Spectroscopy

    Science.gov (United States)

    Abo-Riziq, Ali; Grace, Louis; Crews, Bridgit; Callahan, Michael P,; van Mourik, Tanja; de Vries, Mattanjah S,

    2011-01-01

    We investigated the variation in conformation for the amino acid tyrosine (Y), alone and in the small peptides tyrosine-glycine (YC) and tyrosine-glycine-glycine (YGG), in the gas phase by using UV-UV and IR-UV double resonance spectroscopy and density functional theory calculations. For tyrosine we found seven different conformations, for YG we found four different conformations, and for YGG we found three different conformations. As the peptides get larger, we observe fewer stable conformers, despite the increasing complexity and number of degrees of freedom. We find structural trends similar to those in phenylalanine-glycine glycine (FGG) and tryptophan-glycine-glycine (WGG)j however) the effect of dispersive forces in FGG for stabilizing a folded structure is replaced by that of hydrogen bonding in YGG.

  8. Accelerated safety analyses - structural analyses Phase I - structural sensitivity evaluation of single- and double-shell waste storage tanks

    International Nuclear Information System (INIS)

    Becker, D.L.

    1994-11-01

    Accelerated Safety Analyses - Phase I (ASA-Phase I) have been conducted to assess the appropriateness of existing tank farm operational controls and/or limits as now stipulated in the Operational Safety Requirements (OSRs) and Operating Specification Documents, and to establish a technical basis for the waste tank operating safety envelope. Structural sensitivity analyses were performed to assess the response of the different waste tank configurations to variations in loading conditions, uncertainties in loading parameters, and uncertainties in material characteristics. Extensive documentation of the sensitivity analyses conducted and results obtained are provided in the detailed ASA-Phase I report, Structural Sensitivity Evaluation of Single- and Double-Shell Waste Tanks for Accelerated Safety Analysis - Phase I. This document provides a summary of the accelerated safety analyses sensitivity evaluations and the resulting findings

  9. Effect of Uric Acid-Lowering Agents on Endothelial Function: A Randomized, Double-Blind, Placebo-Controlled Trial.

    Science.gov (United States)

    Borgi, Lea; McMullan, Ciaran; Wohlhueter, Ann; Curhan, Gary C; Fisher, Naomi D; Forman, John P

    2017-02-01

    Higher levels of serum uric acid are independently associated with endothelial dysfunction, a mechanism for incident hypertension. Overweight/obese individuals are more prone to endothelial dysfunction than their lean counterparts. However, the effect of lowering serum uric acid on endothelial dysfunction in these individuals has not been examined thoroughly. In this randomized, double-blind, placebo-controlled trial of nonhypertensive, overweight, or obese individuals with higher serum uric acid (body mass index ≥25 kg/m 2 and serum uric acid ≥5.0 mg/dL), we assigned subjects to probenecid (500-1000 mg/d), allopurinol (300-600 mg/d), or matching placebo. The primary outcome was endothelium-dependent vasodilation measured by brachial artery ultrasound at baseline and 8 weeks. By the end of the trial, 47, 49, and 53 participants had been allocated to receive probenecid, allopurinol, and placebo, respectively. Mean serum uric acid levels significantly decreased in the probenecid (from 6.1 to 3.5 mg/dL) and allopurinol groups (from 6.1 to 2.9 mg/dL) but not in the placebo group (6.1 to 5.6 mg/dL). None of the interventions produced any significant change in endothelium-dependent vasodilation (probenecid, 7.4±5.1% at baseline and 8.3±5.1% at 8 weeks; allopurinol, 7.6±6.0% at baseline and 6.2±4.8% at 8 weeks; and placebo, 6.5±3.8% at baseline and 7.1±4.9% at 8 weeks). In this randomized, double-blind, placebo-controlled trial, uric acid lowering did not affect endothelial function in overweight or obese nonhypertensive individuals. These data do not support the hypothesis that uric acid is causally related to endothelial dysfunction, a potential mechanism for development of hypertension. © 2016 American Heart Association, Inc.

  10. MR brain scan tissues and structures segmentation: local cooperative Markovian agents and Bayesian formulation

    International Nuclear Information System (INIS)

    Scherrer, B.

    2008-12-01

    Accurate magnetic resonance brain scan segmentation is critical in a number of clinical and neuroscience applications. This task is challenging due to artifacts, low contrast between tissues and inter-individual variability that inhibit the introduction of a priori knowledge. In this thesis, we propose a new MR brain scan segmentation approach. Unique features of this approach include (1) the coupling of tissue segmentation, structure segmentation and prior knowledge construction, and (2) the consideration of local image properties. Locality is modeled through a multi-agent framework: agents are distributed into the volume and perform a local Markovian segmentation. As an initial approach (LOCUS, Local Cooperative Unified Segmentation), intuitive cooperation and coupling mechanisms are proposed to ensure the consistency of local models. Structures are segmented via the introduction of spatial localization constraints based on fuzzy spatial relations between structures. In a second approach, (LOCUS-B, LOCUS in a Bayesian framework) we consider the introduction of a statistical atlas to describe structures. The problem is reformulated in a Bayesian framework, allowing a statistical formalization of coupling and cooperation. Tissue segmentation, local model regularization, structure segmentation and local affine atlas registration are then coupled in an EM framework and mutually improve. The evaluation on simulated and real images shows good results, and in particular, a robustness to non-uniformity and noise with low computational cost. Local distributed and cooperative MRF models then appear as a powerful and promising approach for medical image segmentation. (author)

  11. AZD1775 induces toxicity through double-stranded DNA breaks independently of chemotherapeutic agents in p53-mutated colorectal cancer cells.

    Science.gov (United States)

    Webster, Peter John; Littlejohns, Anna Tiffany; Gaunt, Hannah Jane; Prasad, K Raj; Beech, David John; Burke, Dermot Anthony

    2017-01-01

    AZD1775 is a small molecule WEE1 inhibitor used in combination with DNA-damaging agents to cause premature mitosis and cell death in p53-mutated cancer cells. Here we sought to determine the mechanism of action of AZD1775 in combination with chemotherapeutic agents in light of recent findings that AZD1775 can cause double-stranded DNA (DS-DNA) breaks. AZD1775 significantly improved the cytotoxicity of 5-FU in a p53-mutated colorectal cancer cell line (HT29 cells), decreasing the IC 50 from 9.3 μM to 3.5 μM. Flow cytometry showed a significant increase in the mitotic marker pHH3 (3.4% vs. 56.2%) and DS-DNA break marker γH2AX (5.1% vs. 50.7%) for combination therapy compared with 5-FU alone. Combination therapy also increased the amount of caspase-3 dependent apoptosis compared with 5-FU alone (4% vs. 13%). The addition of exogenous nucleosides to combination therapy significantly rescued the increased DS-DNA breaks and caspase-3 dependent apoptosis almost to the levels of 5-FU monotherapy. In conclusion, AZD1775 enhances 5-FU cytotoxicity through increased DS-DNA breaks, not premature mitosis, in p53-mutated colorectal cancer cells. This finding is important for designers of future clinical trials when considering the optimal timing and duration of AZD1775 treatment.

  12. Structure and conductive properties of poly(ethylene oxide)/layered double hydroxide nanocomposite polymer electrolytes

    International Nuclear Information System (INIS)

    Liao, C.-S.; Ye, W.-B.

    2004-01-01

    The oligo(ethylene oxide) modified layered double hydroxide (LDH) prepared by template method was added as a nanoscale nucleating agent into poly(ethylene oxide) (PEO) to form PEO/OLDH nanocomposite electrolytes. The effects of OLDH addition on morphology and conductivities of nanocomposite electrolytes were studied using wide-angle X-ray diffractometer, polarized optical microscopy, differential scanning calorimetry and ionic conductivity measurement. The results show that the exfoliated morphology of nanocomposites is formed due to the surface modification of LDH layers with PEO matrix compatible oligo(ethylene oxide)s. The nanoscale dispersed OLDH layers inhibit the crystal growth of PEO crystallites and result in a plenty amount of intercrystalline grain boundary within PEO/OLDH nanocomposites. The ionic conductivities of nanocomposite electrolytes are enhanced by three orders of magnitude compared to the pure PEO polymer electrolytes at ambient temperature. It can be attributed to the ease transport of Li + along intercrystalline amorphous phase. This novel nanocomposite electrolytes system with high conductivities will be benefited to fabricate the thin-film type of Li-polymer secondary battery

  13. Structural Pre-sizing of a Coaxial Double-tube Type Hot Gas Duct

    Energy Technology Data Exchange (ETDEWEB)

    Song, Kee Nam; Kim, Y-W [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2008-10-15

    The nuclear hydrogen system being researched at KAERI is planning to produce hydrogen in the order of 950 .deg. C by using nuclear energy and a thermo-chemical process, and helium gas is tentatively considered as the choice for the coolant. A hot gas duct (HGD) is a key component connecting the reactor pressure vessel and the intermediate heat exchanger (IHX) for the nuclear hydrogen system. The HGD is a unique component exclusively found in an HTR-module concept where a nuclear core and IHX are placed separately into two pressure vessels, which require a connecting duct between them. A coaxial double-tube type cross vessel is considered for the HGD structure of the nuclear hydrogen system because of its successive extensive experience. In this study, a structural pre-sizing for the primary HGD was carried out. These activities include a predecision on the geometric dimensions, a pre-evaluation on the strength, and a pre-selection on the material of the coaxial double-tube type cross vessel components. A predecision on the geometric dimensions was undertaken based on various engineering concepts, such as a constant flow velocity (CFV) model, a constant flow rate (CFR) model, a constant hydraulic head (CHH) model, and finally a heat balanced (HB) model. For the CFV model, CFR model, and CHH model, the HGD structure might be insensitive to a flow induced vibration (FIV) in the case where there are no pressure differences between the hot and cold helium regions. Also we compared the geometric dimensions from the various models.

  14. Molecular structure of r/GCG/d/TATACGC/ - A DNA-RNA hybrid helix joined to double helical DNA

    Science.gov (United States)

    Wang, A. H.-J.; Fujii, S.; Rich, A.; Van Boom, J. H.; Van Der Marel, G. A.; Van Boeckel, S. A. A.

    1982-01-01

    The molecule r(GCG)d(TATACGC) is self-complementary and forms two DNA-RNA hybrid segments surrounding a central region of double helical DNA; its molecular structure has been solved by X-ray analysis. All three parts of the molecule adopt a conformation which is close to that seen in the 11-fold RNA double helix. The conformation of the ribonucleotides is partly determined by water molecules bridging between the ribose O2' hydroxyl group and cytosine O2. The hybrid-DNA duplex junction contains no structural discontinuities. However, the central DNA TATA sequence has some structural irregularities.

  15. Plasmonic terahertz detection by a double-grating-gate field-effect transistor structure with an asymmetric unit cell

    Science.gov (United States)

    Popov, V. V.; Fateev, D. V.; Otsuji, T.; Meziani, Y. M.; Coquillat, D.; Knap, W.

    2011-12-01

    Plasmonic terahertz detection by a double-grating gate field-effect transistor structure with an asymmetric unit cell is studied theoretically. Detection responsivity exceeding 8 kV/W at room temperature in the photovoltaic response mode is predicted for strong asymmetry of the structure unit cell. This value of the responsivity is an order of magnitude greater than reported previously for the other types of uncooled plasmonic terahertz detectors. Such enormous responsivity can be obtained without using any supplementary antenna elements because the double-grating gate acts as an aerial matched antenna that effectively couples the incoming terahertz radiation to plasma oscillations in the structure channel.

  16. Controlled release of stored pulses in a double-quantum-well structure

    International Nuclear Information System (INIS)

    Carreno, F; Anton, M A

    2009-01-01

    We show that an asymmetric double-quantum-well structure can operate as an optical memory. The double quantum wells are modelled like an atomic ensemble of four-level atoms in the Λ-V-type configuration with vacuum-induced coherence arising from resonant tunnelling through the ultra-thin potential energy barrier between the wells. A weak quantum field connects the ground level with the two upper levels and an auxiliary classical control field connects the intermediate level with the upper levels. The quantum field can be mapped into two channels. One channel results from the adiabatic change of the control field which maps the incoming quantum field into the coherence of the two lower levels like in a Λ-type atomic ensemble. The other channel results from the mapping of the quantum field into a combination of coherences between the two upper levels and the ground level, and it is allowed by the adiabatic change of the upper level splitting via an external voltage. The possibility of releasing multiple pulses from the medium resulting from the existence of a non-evolving component of the two-channel memory is shown. A physical picture has been developed providing an explanation of the performance of the device.

  17. Green and efficient extraction strategy to lithium isotope separation with double ionic liquids as the medium and ionic associated agent

    International Nuclear Information System (INIS)

    Xu Jingjing; Li Zaijun; Gu Zhiguo; Wang Guangli; Liu Junkang

    2013-01-01

    The paper reported a green and efficient extraction strategy to lithium isotope separation. A 4-methyl-10-hydroxybenzoquinoline (ROH), hydrophobic ionic liquid-1,3-di(isooctyl)imidazolium hexafluorophosphate ([D(i-C 8 )IM][PF 6 ]), and hydrophilic ionic liquid-1-butyl-3-methylimidazolium chloride (ILCl) were used as the chelating agent, extraction medium and ionic associated agent. Lithium ion (Li + ) first reacted with ROH in strong alkali solution to produce a lithium complex anion. It then associated with IL + to form the Li(RO) 2 IL complex, which was rapidly extracted into the organic phase. Factors for effect on the lithium isotope separation were examined. To obtain high extraction efficiency, a saturated ROH in the [D(i-C 8 )IM][PF 6 ] (0.3 mol l -1 ), mixed aqueous solution containing 0.3 mol l -1 lithium chloride, 1.6 mol l -1 sodium hydroxide and 0.8 mol l -1 ILCl and 3:1 were selected as the organic phase, aqueous phase and phase ratio (o/a). Under optimized conditions, the single-stage extraction efficiency was found to be 52 %. The saturated lithium concentration in the organic phase was up to 0.15 mol l -1 . The free energy change (ΔG), enthalpy change (ΔH) and entropy change (ΔS) of the extraction process were -0.097 J mol -1 , -14.70 J mol K -1 and -48.17 J mol -1 K -1 , indicating a exothermic process. The partition coefficients of lithium will enhance with decrease of the temperature. Thus, a 25 deg C of operating temperature was employed for total lithium isotope separation process. Lithium in Li(RO) 2 IL was stripped by the sodium chloride of 5 mol l -1 with a phase ratio (o/a) of 4. The lithium isotope exchange reaction in the interface between organic phase and aqueous phase reached the equilibrium within 1 min. The single-stage isotope separation factor of 7 Li- 6 Li was up to 1.023 ± 0.002, indicating that 7 Li was concentrated in organic phase and 6 Li was concentrated in aqueous phase. All chemical reagents used can be well recycled

  18. Structural qualification of the multifunctional instrument tree for installation in double-shell and 100-series single-shell tanks

    International Nuclear Information System (INIS)

    Strohlow, J.P.

    1995-12-01

    This document provides the technical basis and methodology for qualifying the multifunctional instrument tree (MIT) structure for installation in double-shell and 100-series single-shell tanks. Structural qualification for MIT installations in specific tanks are also contained in this document

  19. Role of Electrical Double Layer Structure in Ionic Liquid Gated Devices.

    Science.gov (United States)

    Black, Jennifer M; Come, Jeremy; Bi, Sheng; Zhu, Mengyang; Zhao, Wei; Wong, Anthony T; Noh, Joo Hyon; Pudasaini, Pushpa R; Zhang, Pengfei; Okatan, Mahmut Baris; Dai, Sheng; Kalinin, Sergei V; Rack, Philip D; Ward, Thomas Zac; Feng, Guang; Balke, Nina

    2017-11-22

    Ionic liquid gating of transition metal oxides has enabled new states (magnetic, electronic, metal-insulator), providing fundamental insights into the physics of strongly correlated oxides. However, despite much research activity, little is known about the correlation of the structure of the liquids in contact with the transition metal oxide surface, its evolution with the applied electric potential, and its correlation with the measured electronic properties of the oxide. Here, we investigate the structure of an ionic liquid at a semiconducting oxide interface during the operation of a thin film transistor where the electrical double layer gates the device using experiment and theory. We show that the transition between the ON and OFF states of the amorphous indium gallium zinc oxide transistor is accompanied by a densification and preferential spatial orientation of counterions at the oxide channel surface. This process occurs in three distinct steps, corresponding to ion orientations, and consequently, regimes of different electrical conductivity. The reason for this can be found in the surface charge densities on the oxide surface when different ion arrangements are present. Overall, the field-effect gating process is elucidated in terms of the interfacial ionic liquid structure, and this provides unprecedented insight into the working of a liquid gated transistor linking the nanoscopic structure to the functional properties. This knowledge will enable both new ionic liquid design as well as advanced device concepts.

  20. POROSIMETRY BY DOUBLE-RANDOM MULTIPLE TREE STRUCTURING IN VIRTUAL CONCRETE

    Directory of Open Access Journals (Sweden)

    Piet Stroeven

    2012-03-01

    Full Text Available Two different porosimetry methods are presented in two successive papers. Inspiration for the development came from the rapidly-exploring random tree (RRT approach used in robotics. The novel methods are applied to virtual cementitious materials produced by a modern concurrent algorithm-based discrete element modeling system, HADES. This would render possible realistically simulating all aspects of particulate matter that influence structure-sensitive features of the pore network structure in maturing concrete, namely size, shape and dispersion of aggregate and cement particles. Pore space is a complex tortuous entity. Practical methods conventionally applied for assessment of pore size distribution may fail or present biased information. Among them, mercury intrusion porosimetry and 2D quantitative image analysis are popular. The mathematical morphology operator “opening” can be applied to sections and even provide 3D information on pore size distribution, provided isotropy is guaranteed. Unfortunately, aggregate grain surfaces lead to pore anisotropy. The presented methods allow exploration of pore space in the virtual material, after which pore size distribution is derived from star volume measurements.  In addition to size of pores their continuity is of crucial importance for durability estimation. Double-random multiple tree structuring (DRaMuTS, presented herein, and random node structuring (RaNoS provide such information. The latter method will be introduced in a next issue of IA&S.

  1. Double differential light charged particle emission cross sections for some structural fusion materials

    Directory of Open Access Journals (Sweden)

    Sarpün Ismail Hakki

    2017-01-01

    Full Text Available In fusion reactors, neutron induced radioactivity strongly depends on the irradiated material. So, a proper selection of structural materials will have been limited the radioactive inventory in a fusion reactor. First-wall and blanket components have high radioactivity concentration due to being the most flux-exposed structures. The main objective of fusion structural material research is the development and selection of materials for reactor components with good thermo-mechanical and physical properties, coupled with low-activation characteristics. Double differential light charged particle emission cross section, which is a fundamental data to determine nuclear heating and material damages in structural fusion material research, for some elements target nuclei have been calculated by the TALYS 1.8 nuclear reaction code at 14–15 MeV neutron incident energy and compared with available experimental data in EXFOR library. Direct, compound and pre-equilibrium reaction contribution have been theoretically calculated and dominant contribution have been determined for each emission of proton, deuteron and alpha particle.

  2. Performance assessment on a variety of double side structure during collision interaction with other ship

    Science.gov (United States)

    Prabowo, Aditya Rio; Sohn, Jung Min; Bae, Dong Myung; Cho, Joung Hyung

    2017-09-01

    The main goal of the present paper was to study the physical response of a double side skin (DSS) structure under impact load in a collision event between two ships. Collision energy and damage extent (size and location) during the collision process were observed together with damage patterns on side structure. The ships were modeled after a Ro-Ro passenger ship and cargo reefer which were involved in a ship collision on the Sunda Strait while the analyseswere performed using non-linear simulations FEMto produce virtual simulation data. Several caseswere proposed to be investigated in this work with involvement of parameters i.e. penetration location and ship materials which were embedded on the structure model. A series of material experiments and testing was conducted to obtain detailed material properties which were to be deployed in simulation. It was shown that, after penetration at the transition location, the striking ship was successfully deforming and forming tears to the inner skin. On the other hand, with identical structure and identical mass of construction, the use of high-strength low-alloy (HSLA) steel as the repair material offered considerably better capacity in absorbing the impact load than plain-carbon steel.

  3. Glucose Oral Solution as A Pain-Relieving Agent In Infantile Colic: A Double Blinded Randomized Clinical Trial

    Directory of Open Access Journals (Sweden)

    Iraj Shahramian

    2017-12-01

    Full Text Available Background Infantile colic (IC is a common painful disorder within early months of life. There is no definitive therapeutics for IC. In present study aimed to assess pain-relieving potential of glucose administration in infantile colic. Materials and Methods This was a double blinded randomized clinical trial performed during May 2015-June 2017 in pediatric ward of Amir-Al-Momenin Hospital, Zabol city, Iran. Overall, 72 infants were randomly assigned to either glucose or simethicone groups (36 infants per group. Treatments were continued for 28 days with either 25% or 30% glucose solution and 2.5 mg/kg simethicone. Outcomes were assessed at the end of the intervention (28 days. Statistical analysis was done in SPSS version 22.0. Results Males and females constituted 20 (55.5%, and 16 (45.5% in glucose administrated, and 23 (63.8% and 13 (36.2%, P=0.4 in simethicone group respectively. The mean age (days was 19.1±3.8 and 20.2±4.9 for glucose and simethicone administrated groups, respectively (P=0.2. The crying times per day significantly reduced in both groups (mean reduction in crying times of 3.7±2.1, and 6.3±2.1 hours in glucose and simethicone groups, respectively. Moreover, 25% and 44.4% of infants in glucose and simethicone groups achieved ≥ 50% reduction in crying time, respectively (P=0.06. According to the glucose dose, infants who received 30% glucose solution significantly revealed higher ratio of ≥ 50% reduction in crying time (47.3% than those received 25% glucose solution in which no cases fulfilled this outcome (P

  4. [Spectral analysis of fiber bragg grating modulated by double long period grating and its application in smart structure monitoring].

    Science.gov (United States)

    Lu, Ji-Yun; Liang, Da-Kai; Zhang, Xiao-Li; Zhu, Zhu

    2009-12-01

    Spectrum of fiber bragg grating (FBG) sensor modulated by double long period grating (LPFG) is proposed in the paper. Double LPFG consists of two LPFGS whose center wavelengths are the same and reflection spectrum of FBG sensor is located in linear range of double LPFG transmission spectrum. Based on spectral analysis of FBG and double LPFG, reflection spectrum of FBG modulated by double LPFG is obtained and studied by use of band-hider filter characteristics for double LPFG. An FBG sensor is attached on the surface of thin steel beam, which is strained by bending, and the center wavelength of FBG sensor will shift. The spectral peak of FBG sensor modulated by double LPFG is changed correspondingly, and the spectral change will lead to variation in exit light intensity from double LPFG. Experiment demonstrates that the relation of filtering light intensity from double LPFG monitored by optical power meter to center wavelength change of FBG sensor is linear and the minimum strain of material (steel beam) detected by the modulation and demodulation system is 1.05 microepsilon. This solution is used in impact monitoring of optical fibre smart structure, and FBG sensor is applied for impulse response signal monitoring induced by low-velocity impact, when impact pendulum is loaded to carbon fiber-reinforced plastics (CFP). The acquired impact response signal and fast Fourier transform of the signal detected by FBG sensor agree with the measurement results of eddy current displacement meter attached to the FBG sensor. From the results, the present method using FBG sensor is found to be effective for monitoring the impact. The research provides a practical reference in dynamic monitoring of optical fiber smart structure field.

  5. A structure-activity analysis of the variation in oxime efficacy against nerve agents

    International Nuclear Information System (INIS)

    Maxwell, Donald M.; Koplovitz, Irwin; Worek, Franz; Sweeney, Richard E.

    2008-01-01

    A structure-activity analysis was used to evaluate the variation in oxime efficacy of 2-PAM, obidoxime, HI-6 and ICD585 against nerve agents. In vivo oxime protection and in vitro oxime reactivation were used as indicators of oxime efficacy against VX, sarin, VR and cyclosarin. Analysis of in vivo oxime protection was conducted with oxime protective ratios (PR) from guinea pigs receiving oxime and atropine therapy after sc administration of nerve agent. Analysis of in vitro reactivation was conducted with second-order rate contants (k r2 ) for oxime reactivation of agent-inhibited acetylcholinesterase (AChE) from guinea pig erythrocytes. In vivo oxime PR and in vitro k r2 decreased as the volume of the alkylmethylphosphonate moiety of nerve agents increased from VX to cyclosarin. This effect was greater with 2-PAM and obidoxime (> 14-fold decrease in PR) than with HI-6 and ICD585 ( r2 as the volume of the agent moiety conjugated to AChE increased was consistent with a steric hindrance mechanism. Linear regression of log (PR-1) against log (k r2 · [oxime dose]) produced two offset parallel regression lines that delineated a significant difference between the coupling of oxime reactivation and oxime protection for HI-6 and ICD585 compared to 2-PAM and obidoxime. HI-6 and ICD585 appeared to be 6.8-fold more effective than 2-PAM and obidoxime at coupling oxime reactivation to oxime protection, which suggested that the isonicotinamide group that is common to both of these oximes, but absent from 2-PAM and obidoxime, is important for oxime efficacy

  6. Maintenance of genome stability in plants: repairing DNA double strand breaks and chromatin structure stability

    Directory of Open Access Journals (Sweden)

    Sujit eRoy

    2014-09-01

    Full Text Available Plant cells are subject to high levels of DNA damage resulting from plant’s obligatory dependence on sunlight and the associated exposure to environmental stresses like solar UV radiation, high soil salinity, drought, chilling injury and other air and soil pollutants including heavy metals and metabolic byproducts from endogenous processes. The irreversible DNA damages, generated by the environmental and genotoxic stresses affect plant growth and development, reproduction and crop productivity. Thus, for maintaining genome stability, plants have developed an extensive array of mechanisms for the detection and repair of DNA damages. This review will focus recent advances in our understanding of mechanisms regulating plant genome stability in the context of repairing of double stand breaks and chromatin structure maintenance.

  7. Hot electron and real space transfer in double-quantum-well structures

    International Nuclear Information System (INIS)

    Okuno, Eiichi; Sawaki, Nobuhiko; Akasaki, Isamu; Kano, Hiroyuki; Hashimoto, Masafumi.

    1991-01-01

    The hot electron phenomena and real space transfer (RST) effect are studied in GaAs/AlGaAs double-quantum-well (DQW) structures, in which we have two kind of quantum wells with different widths. The drift velocity and the electron temperature at liquid helium temperature are investigated as a function of the external electric field applied parallel to the heterointerface. By increasing the field, the electron temperature rises and reaches a plateau in the intermediate region, followed by further rise in the high-field region. The appearance of the plateau is attributed to the RST effect between the two quantum wells. The threshold field for the appearance of the plateau is determined by the difference energy between the quantized levels in two wells. The energy loss rate as a function of the electron temperature indicates that the RST is assisted by LO phonon scattering. (author)

  8. Body-insensitive Multi-Mode MIMO Terminal Antenna of Double-Ring Structure

    DEFF Research Database (Denmark)

    Zhao, Kun; Zhang, Shuai; Ishimiya, Katsunori

    2015-01-01

    In this paper, we propose a novel multimode multi-input multi-output (MIMO) antenna system composed of a dual-element MIMO cellular antenna and dual-element MIMO Wi-Fi antenna for mobile terminal applications. The antenna system has a double-ring structure and can be integrated with the metal frame...... of mobile terminals. With the multimode excitation, the MIMO cellular antenna can operate at 830-900 MHz, 1700-2200 MHz, and 2400-2700 MHz, for 2G, 3G, and LTE bands, respectively. The MIMO Wi-Fi antenna can cover two Wi-Fi bands from 2.4 to 2.5 GHz and from 5.2 to 5.8 GHz. The effect of a user's body...

  9. The influence of finite cavities on the sound insulation of double-plate structures.

    Science.gov (United States)

    Brunskog, Jonas

    2005-06-01

    Lightweight walls are often designed as frameworks of studs with plates on each side--a double-plate structure. The studs constitute boundaries for the cavities, thereby both affecting the sound transmission directly by short-circuiting the plates, and indirectly by disturbing the sound field between the plates. The paper presents a deterministic prediction model for airborne sound insulation including both effects of the studs. A spatial transform technique is used, taking advantage of the periodicity. The acoustic field inside the cavities is expanded by means of cosine-series. The transmission coefficient (angle-dependent and diffuse) and transmission loss are studied. Numerical examples are presented and comparisons with measurement are performed. The result indicates that a reasonably good agreement between theory and measurement can be achieved.

  10. Structural characterisation of aluminium layered double hydroxides by (27)Al solid-state NMR.

    Science.gov (United States)

    Vyalikh, Anastasia; Massiot, Dominique; Scheler, Ulrich

    2009-09-01

    (27)Al solid-state NMR has been applied to study the local structure of pristine and chemically modified aluminium layered double hydroxides (LDH). The pristine LDH only shows six-fold coordinated, octahedral, aluminium, while the calcined and subsequently surfactant treated LDH sample shows a significant fraction of four-fold coordinated tetrahedral aluminium. The co-existence of two types of octahedral sites with different quadrupolar parameters is clearly observed in both samples. Quadrupolar coupling constants and isotropic chemical shifts have been measured from the (27)Al triple-quantum MAS NMR allowing to fit the (27)Al MAS spectra and quantify the different species in the samples. The quantitative analysis reveals that 30% of the aluminium is in four-fold coordination in the surfactant-modified LDH. We show that this chemical modification retains the two types of AlO(6) sites with a decreased intensity of the site showing the lowest quadrupolar coupling constant.

  11. Tuning Electronic Structures of BN and C Double-Wall Hetero-Nanotubes

    Directory of Open Access Journals (Sweden)

    Xueran Liu

    2015-01-01

    Full Text Available First principle calculations based on density functional theory with the generalized gradient approximation were carried out to investigate the energetic and electronic properties of carbon and boron nitride double-wall hetero-nanotubes (C/BN-DWHNTs with different chirality and size, including an armchair (n, n carbon nanotube (CNT enclosed in (m, m boron nitride nanotube (BNNT and a zigzag (n, 0 CNT enclosed in (m, 0 BNNT. The electronic structure of these DWHNTs under a transverse electric field was also investigated. The ability to tune the band gap with changing the intertube distance (di and imposing an external electric field (F of zigzag DWHNTs provides the possibility for future electronic and electrooptic nanodevice applications.

  12. Soil structure interaction analysis for the Hanford Site 241-SY-101 double-shell waste storage tanks

    International Nuclear Information System (INIS)

    Giller, R.A.; Weiner, E.O.

    1991-09-01

    The 241-SY-101 tank is a double-shell waste storage tank buried in the 241-SY tank farm in the 200 West Area of the Hanford Site. This analysis addresses the effects of seismic soil-structure interaction on the tank structure and includes a parametric soil-structure interaction study addressing three configurations: two-dimensional soil structure, a two-dimensional structure-soil-structure, and a three-dimensional soil-structure interaction. This study was designed to determine an optimal method for addressing seismic-soil effects on underground storage tanks. The computer programs calculate seismic-soil pressures on the double-shell tank walls and and seismic acceleration response spectra in the tank. The results of this soil-structure interaction parametric study as produced by the computer programs are given in terms of seismic soil pressures and response spectra. The conclusions of this soil-structure interaction evaluation are that dynamically calculated soil pressures in the 241-SY-101 tank are significantly reduce from those using standard hand calculation methods and that seismic evaluation of underground double-shell waste storage tanks must consider soil-structure interaction effects in order to predict conservative structural response. Appendixes supporting this study are available in Volume 2 of this report

  13. Structural, magnetic and electrical characterization of Cd-substituted Mg ferrites synthesized by double sintering technique

    Energy Technology Data Exchange (ETDEWEB)

    Zahir, R. [Department of Physics, Chittagong University of Engineering and Technology, Chittagong 4349 (Bangladesh); Chowdhury, F.-U.Z, E-mail: faruque@cuet.ac.bd [Department of Physics, Chittagong University of Engineering and Technology, Chittagong 4349 (Bangladesh); Uddin, M.M. [Department of Physics, Chittagong University of Engineering and Technology, Chittagong 4349 (Bangladesh); Hakim, M.A. [Materials Science Division, Atomic Energy Center, Dhaka 1000 (Bangladesh)

    2016-07-15

    Cd-substituted Mg ferrites with compositional formula Mg{sub 1−x}Cd{sub x}Fe{sub 2}O{sub 4} with 0.1≤x≤0.6 in the steps of 0.1 have been synthesized by double sintering ceramic technique. The X-ray diffraction analysis has revealed that the samples crystallize in a single phase cubic spinel structure. The lattice parameter has increased with increasing Cd content in conformity with Vegard's law. The study of scanning electron microscopy has revealed that Cd substitution has increased the particle size of the ferrites increases from ~2.2 to 9.2 µm. Some probable interpretations based on literature have been discussed. The increase in particle size with increasing of Cd content has consequently resulted in the initial permeability. The Curie temperature has decreased linearly with increasing Cd content which pointed out the weakening of A-B exchange interaction. The spectra of quality factor have showed a steady bandwidth of 0.1–8 MHz, this finding makes the ferrite system suitable for broadband pulse transformer. The variation of electrical resistivity (DC and AC) has been explained on the basis of electron hopping between Fe{sup 2+}and Fe{sup 3+}. - Highlights: • Synthesis of Cd-substituted Mg ferrites by double sintering ceramic technique. • Studies of Cd substitution on the structural and magnetic properties of Mg Ferrites. • The Curie temperature decreases linearly with increasing Cd concentration. • Due to the conduction of hopping of charge carriers DC resistivity decreases.

  14. Structure of a double hexamer of the Pyrococcus furiosus minichromosome maintenance protein N-terminal domain

    Energy Technology Data Exchange (ETDEWEB)

    Meagher, Martin; Enemark, Eric J.

    2016-06-22

    The crystal structure of the N-terminal domain of thePyrococcus furiosusminichromosome maintenance (MCM) protein as a double hexamer is described. The MCM complex is a ring-shaped helicase that unwinds DNA at the replication fork of eukaryotes and archaea. Prior to replication initiation, the MCM complex assembles as an inactive double hexamer at specific sites of DNA. The presented structure is highly consistent with previous MCM double-hexamer structures and shows two MCM hexamers with a head-to-head interaction mediated by the N-terminal domain. Minor differences include a diminished head-to-head interaction and a slightly reduced inter-hexamer rotation.

  15. Adaptive Sliding Mode Control of Dynamic Systems Using Double Loop Recurrent Neural Network Structure.

    Science.gov (United States)

    Fei, Juntao; Lu, Cheng

    2018-04-01

    In this paper, an adaptive sliding mode control system using a double loop recurrent neural network (DLRNN) structure is proposed for a class of nonlinear dynamic systems. A new three-layer RNN is proposed to approximate unknown dynamics with two different kinds of feedback loops where the firing weights and output signal calculated in the last step are stored and used as the feedback signals in each feedback loop. Since the new structure has combined the advantages of internal feedback NN and external feedback NN, it can acquire the internal state information while the output signal is also captured, thus the new designed DLRNN can achieve better approximation performance compared with the regular NNs without feedback loops or the regular RNNs with a single feedback loop. The new proposed DLRNN structure is employed in an equivalent controller to approximate the unknown nonlinear system dynamics, and the parameters of the DLRNN are updated online by adaptive laws to get favorable approximation performance. To investigate the effectiveness of the proposed controller, the designed adaptive sliding mode controller with the DLRNN is applied to a -axis microelectromechanical system gyroscope to control the vibrating dynamics of the proof mass. Simulation results demonstrate that the proposed methodology can achieve good tracking property, and the comparisons of the approximation performance between radial basis function NN, RNN, and DLRNN show that the DLRNN can accurately estimate the unknown dynamics with a fast speed while the internal states of DLRNN are more stable.

  16. Effectiveness of a new non-hydrogen peroxide bleaching agent after single use - a double-blind placebo-controlled short-term study

    Directory of Open Access Journals (Sweden)

    Mozhgan Bizhang

    Full Text Available Abstract Tooth whitening represents perhaps the most common aesthetic procedure in dentistry worldwide. The efficacy of bleaching depends on three aspects: bleaching agent, bleaching method, and tooth color. Objective: This in vivo study aimed to examine whitening effects on frontal teeth of the upper and lower jaws using an over-the-counter (OTC non-hydrogen peroxide bleaching agent in comparison to a placebo after one single use. Material and methods: Forty subjects (25 female; 15 male participated in this double-blind randomized placebo-controlled trial. The subjects were randomly allocated to two groups (n=20. The test group received the OTC product (iWhite Instant and the placebo group received an identically composed product except for the active agents. Each subject was treated with a prefilled tray containing iWhite Instant or the placebo for 20 minutes. The tooth shade of the front teeth (upper and lower jaws was assessed before (E_0, immediately after (E_1 and 24 h after treatment (E_2, using a shade guide (VITA classical. Statistical testing was accomplished using the Mann-Whitney U test (p<0.001. The dropout rate was 0%. Results: There were no significant differences at E_0 between placebo and test groups regarding the tooth color. Differences in tooth color changes immediately after (ΔE1_0 and 24 h after treatment (ΔE2_0 were calculated for both groups. The mean values (standard deviations of tooth color changes for ΔE1_0 were 2.26 (0.92 in the test group and 0.01 (0.21 in the placebo group. The color changes for ΔE2_0 showed mean values of 2.15 (1.10 in the test group and 0.07 (0.35 in the placebo group. For ΔE1_0 and ΔE2_0 significant differences were found between the groups. Conclusion: In this short-term study, the results showed that a non-hydrogen peroxide bleaching agent has significant whitening effects immediately and 24 h after a single-use treatment.

  17. FEM validation of a double porosity elastic model for consolidation of structurally complex clayey soils

    Science.gov (United States)

    Callari, C.; Federico, F.

    2000-04-01

    Laboratory consolidation of structured clayey soils is analysed in this paper. The research is carried out by two different methods. The first one treats the soil as an isotropic homogeneous equivalent Double Porosity (DP) medium. The second method rests on the extensive application of the Finite Element Method (FEM) to combinations of different soils, composing 2D or fully 3D ordered structured media that schematically discretize the complex material. Two reference problems, representing typical situations of 1D laboratory consolidation of structured soils, are considered. For each problem, solution is obtained through integration of the equations governing the consolidation of the DP medium as well as via FEM applied to the ordered schemes composed of different materials. The presence of conventional experimental devices to ensure the drainage of the sample is taken into account through appropriate boundary conditions. Comparison of FEM results with theoretical results clearly points out the ability of the DP model to represent consolidation processes of structurally complex soils. Limits of applicability of the DP model may arise when the rate of fluid exchange between the two porous systems is represented through oversimplified relations. Results of computations, obtained having assigned reasonable values to the meso-structural and to the experimental apparatus parameters, point out that a partially efficient drainage apparatus strongly influences the distribution along the sample and the time evolution of the interstitial water pressure acting in both systems of pores. Data of consolidation tests in a Rowe's cell on samples of artificially fissured clays reported in the literature are compared with the analytical and numerical results showing a significant agreement.

  18. New chiral zwitterionic phosphorus heterocycles: synthesis, structure, properties and application as chiral solvating agents.

    Science.gov (United States)

    Sheshenev, Andrey E; Boltukhina, Ekaterina V; Grishina, Anastasiya A; Cisařova, Ivana; Lyapkalo, Ilya M; Hii, King Kuok Mimi

    2013-06-17

    A family of new chiral zwitterionic phosphorus-containing heterocycles (zPHC) have been derived from methylene-bridged bis(imidazolines). These structures were unambiguously determined, including single-crystal XRD analysis for two compounds. The stability, acid/base and electronic properties of these dipolar phosphorus heterocycles were subsequently investigated. zPHCs can be successfully employed as a new class of chiral solvating agents for the enantiodifferentiation of chiral carboxylic and sulfonic acids by NMR spectroscopy. The stoichiometry and binding constants for the donor-acceptor complexes formed were established by NMR titration methods. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Quantifying Long-Range Interactions and Coherent Structure in Multi-Agent Dynamics.

    Science.gov (United States)

    Cliff, Oliver M; Lizier, Joseph T; Wang, X Rosalind; Wang, Peter; Obst, Oliver; Prokopenko, Mikhail

    2017-01-01

    We develop and apply several novel methods quantifying dynamic multi-agent team interactions. These interactions are detected information-theoretically and captured in two ways: via (i) directed networks (interaction diagrams) representing significant coupled dynamics between pairs of agents, and (ii) state-space plots (coherence diagrams) showing coherent structures in Shannon information dynamics. This model-free analysis relates, on the one hand, the information transfer to responsiveness of the agents and the team, and, on the other hand, the information storage within the team to the team's rigidity and lack of tactical flexibility. The resultant interaction and coherence diagrams reveal implicit interactions, across teams, that may be spatially long-range. The analysis was verified with a statistically significant number of experiments (using simulated football games, produced during RoboCup 2D Simulation League matches), identifying the zones of the most intense competition, the extent and types of interactions, and the correlation between the strength of specific interactions and the results of the matches.

  20. Synthesis and crystal structures of gold nanowires with Gemini surfactants as directing agents.

    Science.gov (United States)

    Xu, Feng; Hou, Hao; Gao, Zhinong

    2014-12-15

    The preparation of crystalline gold nanowires (NWs) by using gemini surfactants as directing agents through a three-step seed-mediated method is reported. Unlike the nanorods with relatively low aspect ratios (typically below 20) obtained by using cetyltrimethylammonium bromide as a directing agent, the NWs obtained in this investigation can reach up to 4.4 μm, and the largest aspect ratio is calculated to be 210. For this, each of seven different gemini surfactants are utilized as directing agents, and the length and/or aspect ratio of the NWs can be tuned by varying the hydrocarbon chain lengths of the gemini surfactants. Both single and twinned crystalline structures are elucidated by selected-area electron diffraction and high-resolution transmission electron microscopy studies. The use of gemini surfactants not only advances the synthesis of gold nanostructures, but improves the understanding of the growth mechanism for seed-mediated growth. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Effect of autonomic blocking agents and structurally related substances on the “salt arousal of drinking”

    NARCIS (Netherlands)

    Wied, D. de

    The effect of autonomic blocking agents and structurally related substances was studied in rats in which thirst was produced by the administration of a hypertonic sodium chloride solution. Scopolamine, methamphetamine, amphetamine, chlorpromazine, atropine, mecamylamine, hexamethonium, nethalide,

  2. Photoluminescence and structural properties of unintentional single and double InGaSb/GaSb quantum wells grown by MOVPE

    Science.gov (United States)

    Ahia, Chinedu Christian; Tile, Ngcali; Botha, Johannes R.; Olivier, E. J.

    2018-04-01

    The structural and photoluminescence (PL) characterization of InGaSb quantum well (QW) structures grown on GaSb substrate (100) using atmospheric pressure Metalorganic Vapor Phase Epitaxy (MOVPE) is presented. Both structures (single and double-InGaSb QWs) were inadvertently formed during an attempt to grow capped InSb/GaSb quantum dots (QDs). In this work, 10 K PL peak energies at 735 meV and 740 meV are suggested to be emissions from the single and double QWs, respectively. These lines exhibit red shifts, accompanied by a reduction in their full-widths at half-maximum (FWHM) as the excitation power decreases. The presence of a GaSb spacer in the double QW was found to increase the strength of the PL emission, which consequently gives rise to a reduced blue-shift and broadening of the PL emission line observed for the double QW with an increase in laser power, while the low thermal activation energy for the quenching of the PL from the double QW is attributed to the existence of threading dislocations, as seen in the bright field TEM image for this sample.

  3. Structure and Capacitance of Electrical Double Layers at the Graphene–Ionic Liquid Interface

    Directory of Open Access Journals (Sweden)

    Pengfei Lu

    2017-09-01

    Full Text Available Molecular dynamics simulations are carried out to investigate the structure and capacitance of the electrical double layers (EDLs at the interface of vertically oriented graphene and ionic liquids [EMIM]+/[BF4]−. The distribution and migration of the ions in the EDL on the rough and non-rough electrode surfaces with different charge densities are compared and analyzed, and the effect of the electrode surface morphology on the capacitance of the EDL is clarified. The results suggest that alternate distributions of anions and cations in several consecutive layers are formed in the EDL on the electrode surface. When the electrode is charged, the layers of [BF4]− anions experience more significant migration than those of [EMIM]+ cations. These ion layers can be extended deeper into the bulk electrolyte solution by the stronger interaction of the rough electrode, compared to those on the non-rough electrode surface. The potential energy valley of ions on the neutral electrode surface establishes a potential energy difference to compensate the energy cost of the ion accumulation, and is capable of producing a potential drop across the EDL on the uncharged electrode surface. Due to the greater effective contact area between the ions and electrode, the rough electrode possesses a larger capacitance than the non-rough one. In addition, it is harder for the larger-sized [EMIM]+ cations to accumulate in the narrow grooves on the rough electrode, when compared with the smaller [BF4]−. Consequently, the double-hump-shaped C–V curve (which demonstrates the relationship between differential capacitance and potential drop across the EDL for the rough electrode is asymmetric, where the capacitance increases more significantly when the electrode is positively charged.

  4. Different G2/M accumulation in M059J and M059K cells after exposure to DNA double-strand break-inducing agents

    International Nuclear Information System (INIS)

    Holgersson, Asa; Heiden, Thomas; Castro, Juan; Edgren, Margareta R.; Lewensohn, Rolf; Meijer, Annelie E.

    2005-01-01

    Purpose: To investigate and compare the cell cycle progression in relation to cell death in the human glioma cell lines, M059J and M059K, after exposure to DNA double-strand break-inducing agents. Methods and materials: The M059J and M059K cells, deficient and proficient in the catalytic subunit of the DNA-dependent protein kinase, respectively, were exposed to 1 and 4 Gy of photons or accelerated nitrogen ions. In addition, M059J and M059K cells were treated with 10 and 40 μg/mL of bleomycin for 30 min, respectively. Cell cycle progression, monitored by DNA flow cytometry, was measured up to 72 h after treatment. Results: M059J, but not M059K, cells displayed G 2 /M accumulation after low linear energy transfer irradiation. High linear energy transfer radiation exposure however, resulted in a substantial increase of M059K cells in the G 2 /M phase detected at 48 h. At 72 h, the number of cells in the G 2 /M phase was equivalent to its control. M059J cells accumulated mainly in S phase after high linear energy transfer irradiation. In contrast to M059K, M059J cells were still blocked at 72 h. Bleomycin induced G 2 /M accumulation for both M059J and M059K cells detected 24 h after treatment. At 48 h, the percentage of bleomycin-treated M059J cells in G 2 /M phase remained high, and the number of M059K cells had decreased to control levels. Neither cell line showed cell cycle arrest (≤10 h) after exposure to these agents. Conclusion: Distinct cell cycle block and release is dependent on the complexity of the induced DNA damage and the presence of the DNA-dependent protein kinase catalytic subunit

  5. Drug delivery system for an anticancer agent, chlorogenate-Zn/Al-layered double hydroxide nanohybrid synthesised using direct co-precipitation and ion exchange methods

    Energy Technology Data Exchange (ETDEWEB)

    Barahuie, Farahnaz [Materials Synthesis and Characterization Laboratory, Institute of Advanced Technology (ITMA), Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Hussein, Mohd Zobir, E-mail: mzobir@putra.upm.edu.my [Materials Synthesis and Characterization Laboratory, Institute of Advanced Technology (ITMA), Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Arulselvan, Palanisamy [Laboratory of Vaccines and Immunotherapeutics, Institute of Bioscience, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Fakurazi, Sharida [Laboratory of Vaccines and Immunotherapeutics, Institute of Bioscience, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Department of Human Anatomy, Faculty of Medicine and Health Sciences, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia); Zainal, Zulkarnain [Materials Synthesis and Characterization Laboratory, Institute of Advanced Technology (ITMA), Universiti Putra Malaysia, 43400 UPM Serdang, Selangor (Malaysia)

    2014-09-15

    A nano-structured drug-inorganic clay hybrid involving an active anticancer compound, which is chlorogenic acid (CA) intercalated into Zn/Al-layered double hydroxide, has been assembled via ion-exchange and co-precipitation methods to form a nanohybrid CZAE (a chlorogenic acid-Zn/Al nanohybrid synthesised using an ion-exchange method) and CZAC (a chlorogenic acid-Zn/Al nanohybrid synthesised using a direct method), respectively. The X-ray diffraction (XRD) results confirmed that the CA-LDH had a hybrid structure in which the anionic chlorogenate is arranged between the interlayers as a horizontal monolayer at 90 and 20° angles from the x axis for CZAE and CZAC, respectively. Both nanohybrids have the properties of mesoporous materials. The high loading percentage of chlorogenic acid (approximately 43.2% for CZAE and 45.3% for CZAC) with basal spacings of 11.7 and 12.6 Å for CZAE and CZAC, respectively, corroborates the successful intercalation of chlorogenic acid into the interlayer gallery of layered double hydroxides. Free chlorogenic acid and the synthesised nanocomposites (CZAE, CZAC) were assessed for their cytotoxicity against various cancer cells. The Fourier transform infrared data supported the formation of both nanohybrids, and a thermal analysis showed that the nanohybrids are more thermally stable than their counterparts. The chlorogenate shows a sustained release, and the release rate of chlorogenate from CZAE and CZAC nanohybrids at pH 7.4 is remarkably lower than that at pH 4.8 due to their different release mechanisms. The release rate of chlorogenate from both nanohybrids can be described as pseudo-second order. The present investigation revealed the potential of the nanohybrids to enhance the in vitro anti-tumour effect of chlorogenic acid in liver and lung cancer cells in vitro. - Highlights: • We intercalated chlorogenic into Zn/Al-layered double hydroxide by ion-exchange and coprecipitation methods. • The two methods gave nanocomposites

  6. Structure design of AlN double-ended tuning fork resonators

    Science.gov (United States)

    Lei, Qiang; Gao, Yang; Han, Chao

    2017-11-01

    The resonant sensors based on aluminum nitride double-ended tuning fork (AlN DETF) have the characteristics of small size, good stability and reliability, fast response. In order to improve the sensitivity and resolution, it is necessary to analyze the influence of the structure parameters of vibrating beam on the sensitivity and signal power of AlN resonator. The multi-physics model of AlN DETF resonator was established to verify effect of single parameter on the sensitivity by pre-stressed eigenfrequency analysis. The relationships between signal power and length, width of vibrating beam were obtained by post-processing data of simulation results when the thickness remained constant. The results show that relative sensitivity and signal power are growing with opposite direction with the width or the length of the beam. Therefore, there is a design tradeoff between signal power and relative sensitivity of AlN resonator according to the process and structure strength. The optimized AlN DETF resonator was simulated, its sensitivity, signal power and Q are 56 Hz/μN, 6.8e-4 nW and 958, respectively.

  7. Dispersed free phytosterols as structuring agents in lipid systems with reduced saturated fat

    International Nuclear Information System (INIS)

    Godoi, K.R.R.; Basso, R.C.; Buscato, M.H.M.; Cardoso, L.P.; Kieckbusch, T.G.; Ribeiro, A.P.B.

    2017-01-01

    The negative effects of trans fatty acids and saturated fatty acids in food have been widely discussed and this has led to progressive changes in the legislation of many countries. The use of structuring agents or crystallization modifiers, as specific triacylglycerol and minor lipids have been indicated as the only viable alternative for obtaining low saturated fats with properties which are compatible with food application. In this context, phytosterols, natural products with hypocholesterolemic action, and hard fat-crystallization modulators, present a new option for structuring lipid matrices. This work characterized the effects of fully hydrogenated soybean oil and free phytosterols on the physical properties and crystallization behavior of palm oil and canola oil blends for the development of zero trans-fat bases with low levels of saturated fatty acids. The systems were evaluated for chemical composition, atherogenic index, solid fat profiles, microstructure, consistency, thermal behavior and polymorphism. [es

  8. Three-dimensional structure of a protozoal double-stranded RNA virus that infects the enteric pathogen Giardia lamblia.

    Science.gov (United States)

    Janssen, Mandy E W; Takagi, Yuko; Parent, Kristin N; Cardone, Giovanni; Nibert, Max L; Baker, Timothy S

    2015-01-15

    Giardia lamblia virus (GLV) is a small, nonenveloped, nonsegmented double-stranded RNA (dsRNA) virus infecting Giardia lamblia, the most common protozoan pathogen of the human intestine and a major agent of waterborne diarrheal disease worldwide. GLV (genus Giardiavirus) is a member of family Totiviridae, along with several other groups of protozoal or fungal viruses, including Leishmania RNA viruses and Trichomonas vaginalis viruses. Interestingly, GLV is more closely related than other Totiviridae members to a group of recently discovered metazoan viruses that includes penaeid shrimp infectious myonecrosis virus (IMNV). Moreover, GLV is the only known protozoal dsRNA virus that can transmit efficiently by extracellular means, also like IMNV. In this study, we used transmission electron cryomicroscopy and icosahedral image reconstruction to examine the GLV virion at an estimated resolution of 6.0 Å. Its outermost diameter is 485 Å, making it the largest totivirus capsid analyzed to date. Structural comparisons of GLV and other totiviruses highlighted a related "T=2" capsid organization and a conserved helix-rich fold in the capsid subunits. In agreement with its unique capacity as a protozoal dsRNA virus to survive and transmit through extracellular environments, GLV was found to be more thermoresistant than Trichomonas vaginalis virus 1, but no specific protein machinery to mediate cell entry, such as the fiber complexes in IMNV, could be localized. These and other structural and biochemical findings provide a basis for future work to dissect the cell entry mechanism of GLV into a "primitive" (early-branching) eukaryotic host and an important enteric pathogen of humans. Numerous pathogenic bacteria, including Corynebacterium diphtheriae, Salmonella enterica, and Vibrio cholerae, are infected with lysogenic bacteriophages that contribute significantly to bacterial virulence. In line with this phenomenon, several pathogenic protozoa, including Giardia lamblia

  9. A fast vibro-acoustic response analysis method for double wall structures including a viscothermal air layer

    NARCIS (Netherlands)

    Basten, T.G.H.; Grooteman, F.P.

    2000-01-01

    The damping behaviour of a thin air layer between two flexible panels can be used to reduce sound radiation of structural excited panels. The numerical model of the double wall panels takes into account full acousto-elastic interaction and viscothermal wave propagation in the air layer. This means

  10. Calcitonin and carcinoembryonic antigen doubling times as prognostic factors in medullary thyroid carcinoma: a structured meta-analysis

    NARCIS (Netherlands)

    Meijer, Johannes A. A.; le Cessie, Saskia; van den Hout, Wilbert B.; Kievit, Job; Schoones, Johannes W.; Romijn, Johannes A.; Smit, Johannes W. A.

    2010-01-01

    In the management of patients with medullary thyroid carcinoma (MTC), calcitonin doubling time (dt) has gained interest as an independent predictor of recurrence and survival. To perform a structured meta-analysis of the diagnostic value of calcitonin dt, carcinoembryonic antigen (CEA) dt and the

  11. Mesoporous Silica Formation by Block Copolymers and Cetyltrimethylammonium Bromide as Structure Control Agent

    Directory of Open Access Journals (Sweden)

    Mohamad Ali Semsarzadeh

    2013-01-01

    Full Text Available Block copolymers and cetyltrimethylammonium bromide were used as templates in nano silica structure formation like MCM-41Mobil Composition of Matter, SBA16 Santa Barbara Amorphous and a new compound namely SPB  silicone mesoporous particles, prepared by sol-gel method using PPG-PEG-PPG block copolymer to compare the porosity and regularity of the products together. In this work tetraethylorthosilicate  TEOS, as silica source and alcohol as surface modifying agent were used because of having the main advantage, compared to an ionic template such as etyltrimethylammonium bromide, in producing larger pores  and thicker walls for holding larger catalytic molecules in their pores or increasing  their resistance towards fragmentation. In order to study the copolymer as a template,  SPB structure was prepared and compared with SBA16 which was found to have  broader  pore-size  distribution  and  smaller  specifc  surface  area.  Using  alcohol  in particle production resulted in higher formation rate of micelles with improved  morphology. Nitrogen adsorption-desorption, X-ray diffraction and electron scanning  microscopy confrmed the mesoporous structure and regularity of these synthesized  materials. Finally a mechanism is proposed for the formation of these structures.

  12. Double-helical - ladder structural transition in the B-DNA is induced by a loss of dispersion energy

    Czech Academy of Sciences Publication Activity Database

    Černý, Jiří; Kabeláč, Martin; Hobza, Pavel

    2008-01-01

    Roč. 130, č. 47 (2008), s. 16055-16059 ISSN 0002-7863 R&D Projects: GA MŠk LC512; GA AV ČR IAA400550808 Institutional research plan: CEZ:AV0Z40550506 Keywords : B-DNA * double-helical structure * ladder-like structure Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 8.091, year: 2008

  13. Plasmonic terahertz detection by a double-grating-gate field-effect transistor structure with an asymmetric unit cell

    OpenAIRE

    Popov, V. V.; Fateev, D. V.; Otsuji, T.; Meziani, Y. M.; Coquillat, D.; Knap, W.

    2011-01-01

    Plasmonic terahertz detection by a double-grating gate field-effect transistor structure with an asymmetric unit cell is studied theoretically. Detection responsivity exceeding 8 kV/W at room temperature in the photovoltaic response mode is predicted for strong asymmetry of the structure unit cell. This value of the responsivity is an order of magnitude greater than reported previously for the other types of uncooled plasmonic terahertz detectors. Such enormous responsivity can be obtained wi...

  14. Generalized equivalent circuit model for ultra wideband antenna structure with double steps for energy scavenging

    International Nuclear Information System (INIS)

    Heong, Oon Kheng; Hock, Goh Chin; Chakrabarty, Chandan Kumar; Hock, Goh Tian

    2013-01-01

    There are various types of UWB antennas can be used to scavenge energy from the air and one of them is the printed disc monopole antenna. One of the new challenges imposed on ultra wideband is the design of a generalized antenna circuit model. It is developed in order to extract the inductance and capacitance values of the UWB antennas. In this research work, the developed circuit model can be used to represent the rectangular printed disc monopole antenna with double steps. The antenna structure is simulated with CST Microwave Studio, while the circuit model is simulated with AWR Microwave Office. In order to ensure the simulation result from the circuit model is accurate, the circuit model is also simulated using Mathlab program. The developed circuit model is found to be able to depict the actual UWB antenna. Energy harvesting from environmental wirelessly is an emerging method, which forms a promising alternative to existing energy scavenging system. The developed UWB can be used to scavenge wideband energy from electromagnetic wave present in the environment.

  15. Structure, stability, and motion of dislocations in double-wall carbon nanotubes

    Science.gov (United States)

    Zhang, Kai-Wang; Li, Zhong-Qiu; Wu, Jian; Peng, Xiang-Yang; Tan, Xin-Jun; Sun, Li-Zhong; Zhong, Jian-Xin

    2012-10-01

    In this paper, a novel double-wall carbon nanotube (DWCNT) with both edge and screw dislocations is studied by using the molecular dynamics (MD) method. The differences between two adjacent tubule indexes of armchair and zigzag nanotubes are determined to be 5 and 9, respectively, by taking into account the symmetry, integrality, and thermal stability of the composite structures. It is found that melting first occurs near the dislocations, and the melting temperatures of the dislocated armchair and zigzag DWCNTs are around 2600 K—2700 K. At the pre-melting temperatures, the shrink of the dislocation loop, which is comprised of edge and screw dislocations, implies that the composite dislocation in DWCNTs has self-healing ability. The dislocated DWCNTs first fracture at the edge dislocations, which induces the entire break in axial tensile test. The dislocated DWCNTs have a smaller fracture strength compared to the perfect DWCNTs. Our results not only match with the dislocation glide of carbon nanotubes (CNTs) in experiments, but also can free from the electron beam radiation under experimental conditions observed by the high resolution transmission electron microscope (HRTEM), which is deemed to cause the motion of dislocation loop.

  16. A Novel Double-Piston Magnetorheological Damper for Space Truss Structures Vibration Suppression

    Directory of Open Access Journals (Sweden)

    Qiang Wang

    2014-01-01

    Full Text Available The design, fabrication, and testing of a new double-piston MR damper for space applications are discussed. The design concept for the damper is described in detail. The electromagnetic analysis of the design and the fabrication of the MR damper are also presented. The design analysis shows that the damper meets the weight and size requirements for being included in a space truss structure. The prototype design is tested in a damper dynamometer. The test results show that the damper can provide nearly 80 N of damping force at its maximum velocity and current. The test results also show that the seal drag could contribute significantly to the damping forces. Additionally, the test results indicate that both the work by the damper and damping force increase rapidly with increasing current at lower currents and taper off at higher currents as the damper starts to saturate. The damper force versus velocity plots show hysteresis in both pre- and postyield regions and asymmetric forces in jounce and rebound. A model is proposed for representing the force-displacement, force-velocity, and asymmetric forces observed in test results. A comparison of the modeling results and test data indicates that the model accurately represents the force characteristics of the damper.

  17. [The value of double contrast arthrotomography combined with cinematography in the diagnosis of functional and structural TMJ alterations].

    Science.gov (United States)

    Engelke, W; Grossniklaus, B; Sailer, H F

    1991-01-01

    Double contrast arthrotomography combined with cinematography as a diagnostic instrument establishing functional and structural TMJ alterations is evaluated for its diagnostic value and reliability within the chain of diagnostic measures applied. In 131 patients double-contrast arthrotomography was followed by a comprehensive history of joint problems, and verification of the clinical findings as well as the arthrographic diagnosis and the post-arthrographic TMJ alterations. Our interest was focussed, among others, on the question whether arthrography alone would have any therapeutic effect or produce an alteration in TMJ function.

  18. Drug delivery system for an anticancer agent, chlorogenate-Zn/Al-layered double hydroxide nanohybrid synthesised using direct co-precipitation and ion exchange methods

    Science.gov (United States)

    Barahuie, Farahnaz; Hussein, Mohd Zobir; Arulselvan, Palanisamy; Fakurazi, Sharida; Zainal, Zulkarnain

    2014-09-01

    A nano-structured drug-inorganic clay hybrid involving an active anticancer compound, which is chlorogenic acid (CA) intercalated into Zn/Al-layered double hydroxide, has been assembled via ion-exchange and co-precipitation methods to form a nanohybrid CZAE (a chlorogenic acid-Zn/Al nanohybrid synthesised using an ion-exchange method) and CZAC (a chlorogenic acid-Zn/Al nanohybrid synthesised using a direct method), respectively. The X-ray diffraction (XRD) results confirmed that the CA-LDH had a hybrid structure in which the anionic chlorogenate is arranged between the interlayers as a horizontal monolayer at 90 and 20° angles from the x axis for CZAE and CZAC, respectively. Both nanohybrids have the properties of mesoporous materials. The high loading percentage of chlorogenic acid (approximately 43.2% for CZAE and 45.3% for CZAC) with basal spacings of 11.7 and 12.6 Å for CZAE and CZAC, respectively, corroborates the successful intercalation of chlorogenic acid into the interlayer gallery of layered double hydroxides. Free chlorogenic acid and the synthesised nanocomposites (CZAE, CZAC) were assessed for their cytotoxicity against various cancer cells. The Fourier transform infrared data supported the formation of both nanohybrids, and a thermal analysis showed that the nanohybrids are more thermally stable than their counterparts. The chlorogenate shows a sustained release, and the release rate of chlorogenate from CZAE and CZAC nanohybrids at pH 7.4 is remarkably lower than that at pH 4.8 due to their different release mechanisms. The release rate of chlorogenate from both nanohybrids can be described as pseudo-second order. The present investigation revealed the potential of the nanohybrids to enhance the in vitro anti-tumour effect of chlorogenic acid in liver and lung cancer cells in vitro.

  19. Study of the attractor structure of an agent-based sociological model

    Energy Technology Data Exchange (ETDEWEB)

    Timpanaro, Andre M; Prado, Carmen P C, E-mail: timpa@if.usp.br, E-mail: prado@if.usp.br [Instituto de Fisica da Universidade de Sao Paulo, Sao Paulo (Brazil)

    2011-03-01

    The Sznajd model is a sociophysics model that is based in the Potts model, and used for describing opinion propagation in a society. It employs an agent-based approach and interaction rules favouring pairs of agreeing agents. It has been successfully employed in modeling some properties and scale features of both proportional and majority elections (see for instance the works of A. T. Bernardes and R. N. Costa Filho), but its stationary states are always consensus states. In order to explain more complicated behaviours, we have modified the bounded confidence idea (introduced before in other opinion models, like the Deffuant model), with the introduction of prejudices and biases (we called this modification confidence rules), and have adapted it to the discrete Sznajd model. This generalized Sznajd model is able to reproduce almost all of the previous versions of the Sznajd model, by using appropriate choices of parameters. We solved the attractor structure of the resulting model in a mean-field approach and made Monte Carlo simulations in a Barabasi-Albert network. These simulations show great similarities with the mean-field, for the tested cases of 3 and 4 opinions. The dynamical systems approach that we devised allows for a deeper understanding of the potential of the Sznajd model as an opinion propagation model and can be easily extended to other models, like the voter model. Our modification of the bounded confidence rule can also be readily applied to other opinion propagation models.

  20. Synthesis, effect of capping agents, structural, optical and photoluminescence properties of ZnO nanoparticles

    International Nuclear Information System (INIS)

    Singh, A.K.; Viswanath, V.; Janu, V.C.

    2009-01-01

    Zinc oxide nanoparticles were synthesized using chemical method in alcohol base. During synthesis three capping agents, i.e. triethanolamine (TEA), oleic acid and thioglycerol, were used and the effect of concentrations was analyzed for their effectiveness in limiting the particle growth. Thermal stability of ZnO nanoparticles prepared using TEA, oleic acid and thioglycerol capping agents, was studied using thermogravimetric analyzer (TGA). ZnO nanoparticles capped with TEA showed maximum weight loss. X-ray diffraction (XRD) and scanning electron microscopy (SEM) were used for structural and morphological characterization of ZnO nanoparticles. Particle size was evaluated using effective mass approximation method from UV-vis spectroscopy and Scherrer's formula from XRD patterns. XRD analysis revealed single crystal ZnO nanoparticles of size 12-20 nm in case of TEA capping. TEA, oleic acid and thioglycerol capped synthesized ZnO nanoparticles were investigated at room temperature photoluminescence for three excitation wavelengths i.e. 304, 322 and 325 nm, showing strong peaks at about 471 nm when excited at 322 and 325 nm whereas strong peak was observed at 411 for 304 nm excitation.

  1. Advances in quantitative structure-activity relationship models of anti-Alzheimer's agents.

    Science.gov (United States)

    Ambure, Pravin; Roy, Kunal

    2014-06-01

    Alzheimer's disease (AD) is one of the lethal diseases, mainly affecting older people. The unclear root cause and involvement of various enzymes in the pathological conditions confirm the complexity of the disease. Quantitative structure-activity relationship (QSAR) techniques are of great significance in the design of drugs against AD. In the present review, the authors provide a basic background about AD and QSAR techniques. Furthermore, they review the various QSAR studies reported against various targets of AD. The information provided for each QSAR study includes chemical scaffold and target enzyme under study, applied QSAR technique and outcomes of the respective study. In silico techniques like QSAR hold great potential in designing leads against a complex disease like AD. In combination with other in silico techniques, QSAR can provide more useful and rational insight to facilitate the discovery of novel compounds. Only few QSAR studies on imaging agents have been reported; hence, more QSAR studies are recommended to explore the biomarker or imaging agents for improving diagnosis. Again, for proper symptomatic treatment, multi-target drugs acting on more than one target are required. Hence, more multi-target QSAR studies are recommended in future to achieve this goal.

  2. Adsorption and oxidation of fluoroquinolone antibacterial agents and structurally related amines with goethite.

    Science.gov (United States)

    Zhang, Huichun; Huang, Ching-Hua

    2007-01-01

    Seven members (ciprofloxacin, enrofloxacin, norfloxacin, ofloxacin, lomefloxacin, pipemidic acid, and flumequine) of the popular fluoroquinolone antibacterial agents (FQs) were found to adsorb strongly to goethite with 50-76% of the added FQ adsorbed under the experimental conditions. The adsorption isotherms fitted well to the Langmuir model. Adsorption was accompanied by slow oxidation of the FQs (except for flumequine) by goethite yielding a range of hydroxylated and dealkylated products. The oxidation kinetics showed different stages in reaction rate, mostly likely caused by accumulation of Fe(II) species on the oxide surface that slowed the reaction. Structurally related amines 1-phenylpiperazine, N-phenylmorpholine, aniline, and N,N-dimethylaniline were found to be oxidized by goethite without significant adsorption. The results strongly indicate that the carboxylic group of FQs is critical for adsorption while the piperazine ring is susceptible to oxidation. A radical mechanism is proposed for the oxidation of FQs by goethite which involves formation of a surface complex between the FQ and surface-bound Fe(III) through adsorption, and initial oxidation at the piperazinyl N1 atom to form radical intermediates that ultimately lead to the final products. This study indicates that Fe oxides in aquatic sediments may well play an important role in the natural attenuation of fluoroquinolone antibacterial agents.

  3. Profesar la profesión de profesor. Entre el filósofo y el agente doble Professing the teacher's profession. Between the philosopher and the double agent

    Directory of Open Access Journals (Sweden)

    Jose Garcia Molina

    2013-03-01

    , what the university can do or can be today. This synthesis leads us to think the function of the university teacher using the metaphors of the philosopher and the double agent.

  4. Structural Effect of Thioureas on the Detection of Chemical Warfare Agent Simulants.

    Science.gov (United States)

    Ha, Seonggyun; Lee, Minhe; Seo, Hyun Ook; Song, Sun Gu; Kim, Kyung-Su; Park, Chan Heum; Kim, Il Hee; Kim, Young Dok; Song, Changsik

    2017-08-25

    The ability to rapidly detect, identify, and monitor chemical warfare agents (CWAs) is imperative for both military and civilian defense. Since most CWAs and their simulants have an organophosphonate group, which is a hydrogen (H)-bond acceptor, many H-bond donors have been developed to effectively bind to the organophosphonate group. Although thioureas have been actively studied as an organocatalyst, they are relatively less investigated in CWA detection. In addition, there is a lack of studies on the structure-property relationship for gas phase detection. In this study, we synthesized various thioureas of different chemical structures, and tested them for sensing dimethylmethylphosphonate (DMMP), a CWA simulant. Molecular interaction between DMMP and thiourea was measured by 1 H NMR titration and supported by density functional theory (DFT) calculations. Strong H-bond donor ability of thiourea may cause self-aggregation, and CH-π interaction can play an important role in the DMMP detection. Gas-phase adsorption of DMMP was also measured using a quartz crystal microbalance (QCM) and analyzed using the simple Langmuir isotherm, showing the importance of structure-induced morphology of thioureas on the surface.

  5. Chalcone scaffolds as anti-infective agents: structural and molecular target perspectives.

    Science.gov (United States)

    Mahapatra, Debarshi Kar; Bharti, Sanjay Kumar; Asati, Vivek

    2015-08-28

    In recent years, widespread outbreak of numerous infectious diseases across the globe has created havoc among the population. Particularly, the inhabitants of tropical and sub-tropical regions are mainly affected by these pathogens. Several natural and (semi) synthetic chalcones deserve the credit of being potential anti-infective candidates that inhibit various parasitic, malarial, bacterial, viral, and fungal targets like cruzain-1/2, trypanopain-Tb, trans-sialidase, glyceraldehyde-3-phosphate dehydrogenase (GAPDH), fumarate reductase, falcipain-1/2, β-hematin, topoisomerase-II, plasmepsin-II, lactate dehydrogenase, protein kinases (Pfmrk and PfPK5), and sorbitol-induced hemolysis, DEN-1 NS3, H1N1, HIV (Integrase/Protease), protein tyrosine phosphatase A/B (Ptp-A/B), FtsZ, FAS-II, lactate/isocitrate dehydrogenase, NorA efflux pump, DNA gyrase, fatty acid synthase, chitin synthase, and β-(1,3)-glucan synthase. In this review, a comprehensive study (from Jan. 1982 to May 2015) of the structural features of anti-infective chalcones, their mechanism of actions (MOAs) and structure activity relationships (SARs) have been highlighted. With the knowledge of molecular targets, structural insights and SARs, this review may be helpful for (medicinal) chemists to design more potent, safe, selective and cost effective anti-infective agents. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  6. Drug Development of the Antimalarial Agent Artemisinin: Total Synthesis, Analog Synthesis, and Structure-Activity Relationship Studies

    Science.gov (United States)

    1990-08-15

    jHoluenesulfonyl hydrazide in tetrahydrofuran (THF), solvolysis of the ketal group and subsequent hydrazone formation was observed. Under base...ARTEMISININ: TOTAL SYNTHESIS , ANALOG SYNTHESIS , AND STRUCTURE-ACTIVITY RELATIONSHIP STUDIES mc Mitchell A. Avery, Ph.D. SRI International...Antimalarial Agent Artemisinin: Total Synthesis , Analog Synthesis and Structure-Activity Relationship Studies 12 PERSONAL AUTHOR(S) Mitchell A

  7. Atomic resolution structure of the double mutant (K53,56M) of bovine pancreatic phospholipase A2

    International Nuclear Information System (INIS)

    Sekar, K.; Yogavel, M.; Gayathri, D.; Velmurugan, D.; Krishna, R.; Poi, M.-J.; Dauter, Z.; Dauter, M.; Tsai, M.-D.

    2005-01-01

    The atomic resolution crystal structure of the double mutant (K53,56M) of bovine pancreatic phospholipase A 2 is reported. The structure of the double mutant K53,56M has previously been refined at 1.9 Å resolution using room-temperature data. The present paper reports the crystal structure of the same mutant K53,56M refined against 1.1 Å data collected using synchrotron radiation. A total of 116 main-chain atoms from 29 residues and 44 side chains are modelled in alternate conformations. Most of the interfacial binding residues are found to be disordered and alternate conformations could be recognized. The second calcium ion-binding site residue Glu92 adopts two alternate conformations. The minor and major conformations of Glu92 correspond to the second calcium ion bound and unbound states

  8. Antimitotic antitumor agents: synthesis, structure-activity relationships, and biological characterization of N-aryl-N'-(2-chloroethyl)ureas as new selective alkylating agents.

    Science.gov (United States)

    Mounetou, E; Legault, J; Lacroix, J; C-Gaudreault, R

    2001-03-01

    A series of N-aryl-N'-(2-chloroethyl)ureas (CEUs) and derivatives were synthesized and evaluated for antiproliferative activity against a wide panel of tumor cell lines. Systematic structure--activity relationship (SAR) studies indicated that: (i) a branched alkyl chain or a halogen at the 4-position of the phenyl ring or a fluorenyl/indanyl group, (ii) an exocyclic urea function, and (iii) a N'-2-chloroethyl moiety were required to ensure significant cytotoxicity. Biological experiments, such as immunofluorescence microscopy, confirmed that these promising compounds alter the cytoskeleton by inducing microtubule depolymerization via selective alkylation of beta-tubulin. Subsequent evaluations demonstrated that potent CEUs were weak alkylators, were non-DNA-damaging agents, and did not interact with the thiol function of either glutathione or glutathione reductase. Therefore, CEUs are part of a new class of antimitotic agents. Finally, among the series of CEUs evaluated, compounds 12, 15, 16, and 27 were selected for further in vivo trials.

  9. Structural and metal-insulator transitions in rhenium-based double perovskites via orbital ordering

    Science.gov (United States)

    Lee, Alex Taekyung; Marianetti, Chris A.

    2018-01-01

    Re-based double perovskites (DPs) have garnered substantial attention due to their high Curie temperatures (TC) and display of complex interplay of structural and metal-insulator transitions (MIT). Here we systematically study the ground-state electronic and structural properties for a family of Re-based DPs A2B ReO6 (A =Sr, Ca and B =Cr, Fe), which are related by a common low-energy Hamiltonian, using density functional theory +U calculations. We show that the on-site interaction U of Re induces orbital ordering (denoted C-OO), with each Re site having an occupied dx y orbital and a C-type alternation among dx z/dy z , resulting in an insulating state consistent with experimentally determined insulators Sr2CrReO6 , Ca2CrReO6 , and Ca2FeReO6 . The threshold value of UR e for orbital ordering is reduced by inducing Eg octahedral distortions of the same C-type wavelength (denoted C-OD), which serves as a structural signature of the orbital ordering; octahedral tilting also reduces the threshold. The C-OO and the concomitant C-OD are a spontaneously broken symmetry for the Sr-based materials (i.e., a0a0c- tilt pattern), while not for the Ca-based systems (i.e., a-a-b+ tilt pattern). Spin-orbit coupling does not qualitatively change the physics of the C-OO/C-OD, but can induce relevant quantitative changes. We prove that a single set of UC r,UF e,UR e capture the experimentally observed metallic state in Sr2FeReO6 and insulating states in other three systems. We predict that the C-OO is the origin of the insulating state in Sr2CrReO6 , and that the concomitant C-OD may be experimentally observed at sufficiently low temperatures (i.e., space group P 42/m ) in pure samples. Additionally, given our prescribed values of U , we show that the C-OO induced insulating state in Ca2CrReO6 will survive even if the C-OD amplitude is suppressed (e.g., due to thermal fluctuations). The role of the C-OO/C-OD in the discontinuous, temperature driven MIT in Ca2FeReO6 is discussed.

  10. Imaging of 3-D seismic velocity structure of Southern Sumatra region using double difference tomographic method

    Energy Technology Data Exchange (ETDEWEB)

    Lestari, Titik, E-mail: t2klestari@gmail.com [Meteorological Climatological and Geophysical Agency (MCGA), Jalan Angkasa I No.2 Kemayoran, Jakarta Pusat, 10720 (Indonesia); Faculty of Earth Science and Technology, Bandung Institute of Technology, Jalan Ganesa No.10, Bandung 40132 (Indonesia); Nugraha, Andri Dian, E-mail: nugraha@gf.itb.ac.id [Global Geophysical Research Group, Faculty of Mining and Petroleum Engineering, Bandung Institute of Technology, Jalan Ganesa 10 Bandung 40132 (Indonesia)

    2015-04-24

    Southern Sumatra region has a high level of seismicity due to the influence of the subduction system, Sumatra fault, Mentawai fault and stretching zone activities. The seismic activities of Southern Sumatra region are recorded by Meteorological Climatological and Geophysical Agency (MCGA’s) Seismograph network. In this study, we used earthquake data catalog compiled by MCGA for 3013 events from 10 seismic stations around Southern Sumatra region for time periods of April 2009 – April 2014 in order to invert for the 3-D seismic velocities structure (Vp, Vs, and Vp/Vs ratio). We applied double-difference seismic tomography method (tomoDD) to determine Vp, Vs and Vp/Vs ratio with hypocenter adjustment. For the inversion procedure, we started from the initial 1-D seismic velocity model of AK135 and constant Vp/Vs of 1.73. The synthetic travel time from source to receiver was calculated using ray pseudo-bending technique, while the main tomographic inversion was applied using LSQR method. The resolution model was evaluated using checkerboard test and Derivative Weigh Sum (DWS). Our preliminary results show low Vp and Vs anomalies region along Bukit Barisan which is may be associated with weak zone of Sumatran fault and migration of partial melted material. Low velocity anomalies at 30-50 km depth in the fore arc region may indicated the hydrous material circulation because the slab dehydration. We detected low seismic seismicity in the fore arc region that may be indicated as seismic gap. It is coincides contact zone of high and low velocity anomalies. And two large earthquakes (Jambi and Mentawai) also occurred at the contact of contrast velocity.

  11. Utilization of Pebax 1657 as structure directing agent in fabrication of ultra-porous ZIF-8

    Energy Technology Data Exchange (ETDEWEB)

    Jomekian, A. [Gas Engineering Department, Ahvaz Faculty of Petroleum Engineering, Petroleum University of Technology (PUT), Post Office Box 63431, Ahvaz (Iran, Islamic Republic of); Faculty of Chemical Engineering, Iran University of Science and Technology (IUST), Narmak, Tehran (Iran, Islamic Republic of); Behbahani, R.M., E-mail: behbahani@put.ac.ir [Gas Engineering Department, Ahvaz Faculty of Petroleum Engineering, Petroleum University of Technology (PUT), Post Office Box 63431, Ahvaz (Iran, Islamic Republic of); Mohammadi, T. [Faculty of Chemical Engineering, Iran University of Science and Technology (IUST), Narmak, Tehran (Iran, Islamic Republic of); Kargari, A. [Department of Petrochemical Engineering, Amirkabir University of Technology (AUT), Mahshahr (Iran, Islamic Republic of)

    2016-03-15

    Ultra porous ZIF-8 particles synthesized using PEO/PA6 based poly(ether-block-amide) (Pebax 1657) as structure directing agent. Structural properties of ZIF-8 samples prepared under different synthesis parameters were investigated by laser particle size analysis, XRD, N{sub 2} adsorption analysis, BJH and BET tests. The overall results showed that: (1) The mean pore size of all ZIF-8 samples increased remarkably (from 0.34 nm to 1.1–2.5 nm) compared to conventionally synthesized ZIF-8 samples. (2) Exceptional BET surface area of 1869 m{sup 2}/g was obtained for a ZIF-8 sample with mean pore size of 2.5 nm. (3) Applying high concentrations of Pebax 1657 to the synthesis solution lead to higher surface area, larger pore size and smaller particle size for ZIF-8 samples. (4) Both, Increase in temperature and decrease in molar ratio of MeIM/Zn{sup 2+} had increasing effect on ZIF-8 particle size, pore size, pore volume, crystallinity and BET surface area of all investigated samples. - Highlights: • The pore size of ZIF-8 samples synthesized with Pebax 1657 increased remarkably. • The BET surface area of 1869 m{sup 2}/gr obtained for a ZIF-8 synthesized sample with Pebax. • Increase in temperature had increasing effect on textural properties of ZIF-8 samples. • Decrease in MeIM/Zn{sup 2+} had increasing effect on textural properties of ZIF-8 samples.

  12. Highly sensitive photodetector based on ge double-barrier punch-through structure

    Directory of Open Access Journals (Sweden)

    Abdulkhaev O. A.

    2015-08-01

    Full Text Available In recent years, transmission and reception systems of optical signals are widely used. Receiving the optical signal in such systems is carried by photoreceiving modules based on a photodetector, which defines the quality of the received signal, the range and speed of the entire system. However, hitherto used p–i–n- and avalanche photodiodes do not fully meet the growing demands. The present work is devoted to investigate the photovoltaic characteristics of semiconductor thin base transistor structure based on germanium, which is superior the silicon counterparts by speed and gain. Investigated p+–n–p-structures were obtained by diffusion of antimony onto the substrate of p-type germanium to a depth of 1 micron and alloying of indium to the part of its surface which creates diffusion layer of ?+-type and with thickness of 0,5 microns. Experiments have shown that the reverse biasing of a single p+-n-emitter-base junction leads to a smooth increase in reverse current, at the same time when it is connected in series to forward biased collector p-n-junction there is a sharp increase in the current by voltage, giving properties of voltage surge suppressor. This behavior of the current-voltage characteristics can be explained by the punch-through effect when the space charge regions of the emitter junction and the space charge region of collector junction touch each other and the conditions are realized for double carrier injection into a fully depleted region of the transistor. At the same time giving small fixed voltages 0,1—0,15 V to the collector-base junction the output static characteristics can be received with an operating voltage of 3—3,5 V. A characteristic feature of the investigated transistor is that when the base region under illumination by integrated light intensity (50 and 3000 lux light current appears, whose magnitude with the increase of operating voltage (up to 1.7 V increases nonlinearly, resulting in increased

  13. Chiral lactic hydrazone derivatives as potential bioactive antibacterial agents: Synthesis, spectroscopic, structural and molecular docking studies

    Science.gov (United States)

    Noshiranzadeh, Nader; Heidari, Azam; Haghi, Fakhri; Bikas, Rahman; Lis, Tadeusz

    2017-01-01

    A series of novel chiral lactic-hydrazone derivatives were synthesized by condensation of (S)-lactic acid hydrazide with salicylaldehyde derivatives and characterized by elemental analysis and spectroscopic studies (FT-IR, 1H NMR and 13C NMR spectroscopy). The structure of one compound was determined by single crystal X-ray analysis. Antibacterial activity of the synthesized compounds was studied against Staphylococcus aureus, Streptococcus pneumonia, Escherichia coli and Pseudomonas aeruginosa as bacterial cultures by broth microdilution method. All of the synthesized compounds showed good antibacterial activity with MIC range of 64-512 μg/mL. Compounds (S,E)-2-hydroxy-N-(2-hydroxy-5-nitrobenzylidene)propanehydrazide (5) and (S,E)-2-hydroxy-N-((3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl)propanehydrazide (7) were the most effective antibacterial derivatives against S. aureus and E. coli respectively with a MIC value of 64 μg/mL. Bacterial biofilm formation assay showed that these compounds significantly inhibited biofilm formation of P. aeruginosa. Also, in silico molecular docking studies were performed to show lipoteichoic acid synthase (LtaS) inhibitory effect of lactic hydrazone derivatives. The association between electronic and structural effects of some substituents on the benzylidene moiety and the biological activity of these chiral compounds were studied. Structural studies show that compound with higher hydrogen bonding interactions show higher antibacterial activity. The results show chiral hydrazone derivatives based on lactic acid hydrazide could be used as potential lead compounds for developing novel antibacterial agents.

  14. Characterization and structural analysis of the potent antiparasitic and antiviral agent tizoxanide

    Science.gov (United States)

    Bruno, Flavia P.; Caira, Mino R.; Martin, Eliseo Ceballos; Monti, Gustavo A.; Sperandeo, Norma R.

    2013-03-01

    Tizoxanide [2-(hydroxy)-N-(5-nitro-2-thiazolyl)benzamide, TIZ] is a new potent anti-infective agent which may enhance current therapies for leishmaniasis, Chagas disease and viral hepatitis. The aim of this study was to identify the conformational preferences that may be related to the biological activity of TIZ by resolving its crystal structure and characterizing various physicochemical properties, including its experimental vibrational and 13C nuclear magnetic resonance properties, behavior on heating and solubility in several solvents at 25 °C. TIZ crystallizes from dimethylformamide as the carboxamide tautomer in the triclinic system, space group P(-1) (No. 2) with the following unit cell parameters at 173(2) K: a = 5.4110(3) Å, b = 7.3315(6) Å, c = 13.5293(9) Å, α = 97.528(3), β = 95.390(4), γ = 97.316(5), V = 524.41(6) Å3, Z = 2, Dc = 1.680 g/cm3, R1 = 0.0482 and wR2 = 0.0911 for 2374 reflections. This modification of TIZ has a 'graphitic' structure and is composed of tightly packed layers of extensively hydrogen-bonded molecules. The various spectroscopic data [Diffuse Fourier transform infrared (DRIFT) and FT-Raman, recorded in the range 3600-500 and 4000-200 cm-1 respectively, and solid-state 13C NMR] were consistent with the structure determined by X-ray crystallography. From DSC, TG and thermomicroscopy, it was concluded that TIZ is thermally stable as a solid and that melting is not an isolated event from the one-step thermal decomposition that it undergoes above 270 °C. This modification of TIZ is practically insoluble in water and slightly soluble in polar aprotic solvents such as dimethylsulfoxide, dimethylformamide and dioxane.

  15. Optimizing the structure of the natural gas market using an agent-based modeling framework

    International Nuclear Information System (INIS)

    Van Benthem, M.

    2010-01-01

    The overall research question guiding this study is as follows: what is the optimal structure of the natural gas market, considering both the degrees of affordability and supply security resulting from this structure? The sub-questions are: How can the concepts of supply security and affordability be usefully defined? (Chapter 2); What should a modeling framework for analyzing the natural gas market with regard to these concepts look like? (Chapters 3 and 4); What general conclusions can be drawn on the basis of this framework? (Chapter 5); What is the effect of liberalization on the Dutch natural gas market? (Chapter 6); What are the possible effects of current trends unfolding in the Dutch natural gas market? (Chapter 7). The framework constructed in this study implicitly contains the necessary elements for deriving a sustainability indicator too. However, to limit the scope of the study, sustainability will not be analyzed explicitly. Chapter 2 provides an introductory description of the natural gas market. Starting from a description of the natural gas value chain, the process of liberalization is described as a change in the organization of the value chain. In addition, the concepts of affordability and supply security are discussed and appropriate quantitative indicators for both objectives are identified. In Chapter 3, a survey of existing gas market models is performed. On the basis of this survey, a classification system for natural gas market models is developed. Furthermore, the characteristics of a modeling framework fit for the purpose of this study are derived. In Chapter 4, a general, quantitative framework for natural gas market modeling is developed on the basis of agent-based computational economics. The model's structure, its dynamics, output and data requirements are described. Furthermore, the properties of each agent are explored, and the possibilities for model verification and validation are outlined. Chapter 5 provides a number of

  16. Atomic structure dependence of nonsequential double ionization of He, Ne and Ar in strong laser pulses

    Energy Technology Data Exchange (ETDEWEB)

    Jesus, V L B de; Feuerstein, B; Zrost, K; Fischer, D; Rudenko, A; Afaneh, F; Schroeter, C D; Moshammer, R; Ullrich, J [Max-Planck-Institut fuer Kernphysik, D-69029 Heidelberg (Germany)

    2004-04-28

    The ion momentum spectra for nonsequential double ionization of rare gases (He, Ne and Ar) in 23 fs 795 nm laser pulses were measured in the intensity range 0.075-1.25 PW cm{sup -2}. In the studies published, confusing differences in the shape of momentum distributions among different targets are consistently explained within a recollision scenario: excitation during recollision plus subsequent field ionization, not implemented in most theoretical approaches, evidently plays a decisive role for He and Ar nonsequential double ionization whereas it plays only a minor role for Ne. (letter to the editor)

  17. A randomized, double blind, placebo and active comparator controlled pilot study of UP446, a novel dual pathway inhibitor anti-inflammatory agent of botanical origin

    Directory of Open Access Journals (Sweden)

    Sampalis John S

    2012-04-01

    Full Text Available Abstract Background Current use of prescribed or over the counter non-steroidal anti-inflammatory drugs (NSAIDs for pain and osteoarthritis (OA have untoward gastrointestinal and cardiovascular related side effects, as a result the need for a safe and effective alternative has become unequivocally crucial. Method A randomized, double blind, placebo and active controlled pilot study of a novel dual pathway, COX1/2 and LOX, inhibitor anti-inflammatory agent of botanical origin, UP446 was conducted. Sixty subjects (age 40-75 with symptomatic OA of the hip or knee were assigned to 4 treatment groups (n = 15; Group A0 (Placebo, CMC capsule, Group A1 (UP446 250 mg/day, Group A2 (UP446 500 mg/day and Group A3 (Celecoxib, 200 mg/day. MOS-SF-36 and Western Ontario and McMaster University Osteoarthritis Index (WOMAC data were collected at baseline and after 30, 60 and 90 days of treatment as a measure of efficacy. Erythrocyte sedimentation rate, C-reactive protein, plasma thrombin time (PTT, fructosamine, Hematology, clinical chemistry and fecal occult blood were monitored for safety. Results Statistically significant decrease in WOMAC pain score were observed for Group A1 at day 90, Group A2 at 30 and 90 days and Group A3 at 60 and 90 days. Statistically significant decrease in WOMAC stiffness score were observed for Group A1 and Group A2 at 30, 60 and 90 days; but not for Group A0 and Group A3. The mean change in WOMAC functional impairment scores were statistically significant for Group A1 and Group A2 respectively at 30 days (p = 0.006 and p = 0.006, at 60 days (p = 0.016 and p = 0.002 and at 90 days (p = 0.018 and p = 0.002, these changes were not significant for Group A0 and Group A3. Based on MOS -SF-36 questionnaires, statistically significant improvements in physical function, endurance and mental health scores were observed for all active treatment groups compared to placebo. No significant changes suggestive of toxicity in routine hematologies

  18. Low x Double ln2(1/x) Resummation Effects at the Sum Rules for Nucleon Structure Function g1

    International Nuclear Information System (INIS)

    Ziaja, B.

    2001-01-01

    We have estimated the contributions to the moments of polarized nucleon structure function g 1 (x,Q 2 ) coming from the region of the very low x (10 -5 2 (1/x) resummation. The Q 2 evolution of g 1 was described by the unified evolution equations incorporating both the leading order Altarelli-Parisi evolution at large and moderate x, and the double ln 2 (1/x) resummation at small x. The moments were obtained by integrating out the extrapolated nucleon structure function in the region 10 -5 < x<1. (author)

  19. How Structure-Directing Agents Control Nanocrystal Shape: Polyvinylpyrrolidone-Mediated Growth of Ag Nanocubes.

    Science.gov (United States)

    Qi, Xin; Balankura, Tonnam; Zhou, Ya; Fichthorn, Kristen A

    2015-11-11

    The importance of structure-directing agents (SDAs) in the shape-selective synthesis of colloidal nanostructures has been well documented. However, the mechanisms by which SDAs actuate shape control are poorly understood. In the polyvinylpyrrolidone (PVP)-mediated growth of {100}-faceted Ag nanocrystals, this capability has been attributed to preferential binding of PVP to Ag(100). We use molecular dynamics simulations to probe the mechanisms by which Ag atoms add to Ag(100) and Ag(111) in ethylene glycol solution with PVP. We find that PVP induces kinetic Ag nanocrystal shapes by regulating the relative Ag fluxes to these facets. Stronger PVP binding to Ag(100) leads to a larger Ag flux to Ag(111) and cubic nanostructures through two mechanisms: enhanced Ag trapping by more extended PVP films on Ag(111) and a reduced free-energy barrier for Ag to cross lower-density films on Ag(111). These flux-regulating capabilities depend on PVP concentration and chain length, consistent with experiment.

  20. Largazole Analogues as Histone Deacetylase Inhibitors and Anticancer Agents: An Overview of Structure-Activity Relationships.

    Science.gov (United States)

    Poli, Giulio; Di Fabio, Romano; Ferrante, Luca; Summa, Vincenzo; Botta, Maurizio

    2017-12-07

    Since the time of its identification, the natural compound largazole rapidly caught the attention of the medicinal chemistry community for its impressive potency as an inhibitor of histone deacetylases (HDACs) and its strong antiproliferative activity against a broad panel of cancer cell lines. The design of largazole analogues is an expanding field of study, due to their remarkable potential as novel anticancer therapeutics. At present, a large ensemble of largazole analogues has been reported, allowing the identification of important structure-activity relationships (SAR) that can guide the design of novel compounds with improved HDAC inhibitory profiles, anticancer activity, and pharmacokinetic properties. The aim of this review is to concisely summarize the information obtained by biological evaluations of the various largazole analogues reported to date, with particular attention given to the latest analogues, as well as to analyze the various SAR obtained from this data, with the purpose of providing useful guidelines for the development of novel potent and selective HDAC inhibitors to be used as anticancer agents. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Hydrothermal synthesis of zeolite T from kaolin using two different structure-directing agents

    Science.gov (United States)

    Arshad, Sazmal E.; Lutfor Rahman, M.; Sarkar, Shaheen M.; Yusslee, Eddy F.; Patuwan, Siti Z.

    2018-01-01

    Zeolite T was synthesized from the molar chemical composition of 1SiO2:0.04Al2O3:0.26Na2O:0.09K2O:14H2O in the form of a homogenous milky solution in the presence of the two different structure-directing agents TMAOH and TEAOH respectively. Modification of the composition of silica was undertaken using metakaolin from calcined kaolin at 750 °C for 4 h, while the molar composition of each different SDA was variated from 0.05, 0.10, 0.15, 0.20 and 0.25. The homogenous mixture was left at room temperature for 24 h before undergoing hydrothermal synthesis at 100 °C for 168 h. The synthesized samples were filtered and aged at 120 °C for 2 h and each sample was calcined at high temperatures (545 °C for TMAOH and 520 °C for TEAOH) for template removal before characterization using XRD and SEM. Crystallization of the zeolite T in its major form only took place at a molar ratio of 0.10 of TMAOH, while TEAOH showed the species evolution of zeolite T into zeolite L and W for other molar ratios.

  2. African electricity market liberalization, competition and structuring: Should double bid markets be set up?

    International Nuclear Information System (INIS)

    Founanou, M.

    2011-01-01

    In this paper, we analyse the possibility of using double auction mechanisms in the organization of the electricity markets in African countries. Today's electricity markets around the world are de-regulated and going through a restructuring process. In a context marked by the opening up to competition, a double auction for electricity supply is henceforth used to set prices in wholesale and retail electricity markets. Game theory analysis useful for studying the double auction prices proprieties. The double auction is a non-cooperative game, which is strategically equivalent to the auctions theory. The price formed, depending on the buyers and sellers' strategies, is a competitive price, which tends to the ideal price when competition operates intensely on both sides of market. For Africa, the presence of congestion costs and a chronic lack of capacity require the search for other solutions. We investigate optimal strategic behaviour when buyers and sellers are separated by a possibly constrained transmission line and show that bidders' strategies converge to truth-telling behaviour as the number of market participants increases. In the congestion case, this fails to occur. We also investigate how participants in wholesale electricity markets modify their bidding strategies as a function of the influence and behaviour of a transmission line owner. (author)

  3. Structure directing agents induced morphology evolution and phase transition from indium-based rho- to sod-ZMOF

    KAUST Repository

    Shi, Yanshu

    2017-06-23

    In this report, indium-based rho-and sod-ZMOFs with different morphologies and sizes were prepared. Simultaneous morphology evolution and phase transformation from porous rho-to nonporous sod-ZMOFs were reported for the first time by simply varying the concentration of structure directing agents (SDAs).

  4. Structure of cylindrical electric double layers: Comparison of density functional and modified Poisson-Boltzmann theories with Monte Carlo simulations

    Directory of Open Access Journals (Sweden)

    V.Dorvilien

    2013-01-01

    Full Text Available The structure of cylindrical double layers is studied using a modified Poisson Boltzmann theory and the density functional approach. In the model double layer the electrode is a cylindrical polyion that is infinitely long, impenetrable, and uniformly charged. The polyion is immersed in a sea of equi-sized rigid ions embedded in a dielectric continuum. An in-depth comparison of the theoretically predicted zeta potentials, the mean electrostatic potentials, and the electrode-ion singlet density distributions is made with the corresponding Monte Carlo simulation data. The theories are seen to be consistent in their predictions that include variations in ionic diameters, electrolyte concentrations, and electrode surface charge densities, and are also able to reproduce well some new and existing Monte Carlo results.

  5. Structural phase transition and magnetic properties of double perovskites Ba2CaMO6 (M=W, Re, Os)

    International Nuclear Information System (INIS)

    Yamamura, Kazuhiro; Wakeshima, Makoto; Hinatsu, Yukio

    2006-01-01

    Structures and magnetic properties for double perovskites Ba 2 CaMO 6 (M=W, Re, Os) were investigated. Both Ba 2 CaReO 6 and Ba 2 CaWO 6 show structural phase transitions at low temperatures. For Ba 2 CaReO 6 , the second order transition from cubic Fm3-bar m to tetragonal I4/m has been observed near 120K. For Ba 2 CaWO 6 , the space group of the crystal structure is I4/m at 295K and the transition to monoclinic I2/m has been observed between 220K. Magnetic susceptibility measurements show that Ba 2 CaReO 6 (S=1/2) and Ba 2 CaOsO 6 (S=1) transform to an antiferromagnetic state below 15.4 and 51K, respectively. Anomalies corresponding to their structural phase transition and magnetic transition have been also observed through specific heat measurements

  6. Double beta decay, neutrino physics, nuclear structure and isospin and spin-isospin symmetries

    International Nuclear Information System (INIS)

    Krmpotic, F.

    1989-12-01

    Prominent features of the double beta decay processes are reviewed. Emphasis is placed on the neutrino masses and the quasiparticle random phase approximation (GRPA). The suppression mechanism for the ββ-decay transition rates, proposed by Vogel and Zirnbauer, is found to be closely related to the restoration of SU(4) symmetry. It is suggested that the extreme sensitivity of the ββ-decay amplitude on the proton-neutron coupling is a consequence of the explicit violation of the SU(4) symmetry and therefore an artifact of the model. A prescription is given for fixing this interaction strength within the GRPA itself, which in this way acquires predicting power on both single and double β-decay lifetimes. (author) [pt

  7. Influence of Flocculating Agents and Structural Vehicles on the Physical Stability and Rheological Behavior of Nitrofurantoin Suspension

    Science.gov (United States)

    Moghimipour, Eskandar; Salimi, Anayatollah; Rezaee, Saeed; Balack, Maryam; Handali, Somayeh

    2014-01-01

    Background: Nitrofurantoin is a nitrofuran antibiotic that has been used for treatment of urinary tract against positive and negative bacteria. Objectives: The aim of this study was to evaluate the effect of structural vehicles and flocculating agents on physical stability and rheological behavior of nitrofurantoin suspension. Materials and Methods: To formulate the suspensions, the effect of glycerin and polysorbate 80 as wetting agents was evaluated and their particle sizes were determined using the sieve method. Then to achieve controlled flocculation, sodium citrate and aluminum chloride were added. After choosing the suitable wetting and flocculating agents, structural vehicles such as sodium carboxyl methyl cellulose and Veegum were evaluated individually and in combination. In addition, the effect of sorbitol on density of continuous phase and some physical stability parameters such as sedimentation volume, degree of flocculation and ease of redispersion of the suspensions were evaluated. After incorporation of structural vehicles, the rheological properties of formulations were also determined to find their flow behavior. Results: According to the results, glycerin (0.2%) and sodium citrate (0.3%) had the best effect on the suspension stability as wetting and flocculating agents, respectively. Rheological properties of formulations showed pseudoplastic behavior with some degree of thixotropy. Conclusions: In conclusion, the suspension containing Veegum 1%, sodium carboxy methyl cellulose 1%, glycerine 0.2%, sodium citrate 0.3% and sorbitol 20 % was chosen as the most physically stable formulation. PMID:24872937

  8. Improve the surface of silver nanowire transparent electrode using a double-layer structure for the quantum-dot light-emitting diodes

    Science.gov (United States)

    Cho, Seok Hyeon; Been Heo, Su; Kang, Seong Jun

    2018-03-01

    We developed a double-layer structured transparent electrode for use in flexible quantum-dot light-emitting diodes (QLEDs). Silver nanowires (AgNWs) and highly conductive poly(3,4-ethylenedioxythiophene):poly(styrene sulfonate) (PEDOT:PSS) were coated on a transparent substrate to obtain a highly conductive and flexible transparent electrode. The highly conductive PEDOT:PSS improved the surface roughness of the AgNWs transparent electrode film as well as the surface coverage area of the film. The double-layer structured transparent electrode showed superior mechanical properties than conventional indium-tin oxide (ITO) and AgNWs transparent electrodes. QLEDs with the double-layer structured transparent electrode also showed good reliability under cyclic bending conditions. These results indicate that the double-layer structured AgNWs/PEDOT:PSS transparent electrode described here is a feasible alternative to ITO transparent electrodes for flexible QLEDs.

  9. A Structure-Activity Analysis of the Variation in Oxime Efficacy Against Nerve Agents

    Science.gov (United States)

    2008-01-01

    Dishovsky, C. (Eds.), Medical Aspects of Chemical and Biological Terrorism: Chemical Terrorism and Traumatism. Union of Scientists in Bulgaria, Sofia...Prodanchuk, N., Zhminko, P., Krivenchuk, V., 2005. Cholinesterase blockers as potential agents for chemical terrorism and contemporary approaches to

  10. The Efficacy of Structural Priming on the Acquisition of Double Object Construction by Chinese EFL Learners

    Science.gov (United States)

    Jiang, Lin; Huang, Kang

    2015-01-01

    Structural priming refers to the tendency of speakers to reuse the same structural pattern as one that was previously encountered (Bock, 1986). The effectiveness of structural priming has been an issue of much discussion in the field of second language acquisition over decades. This study aims at investigating the role of structural priming in…

  11. Probing the electrical double-layer structure at the rutile-water interface with x-ray standing waves.

    Energy Technology Data Exchange (ETDEWEB)

    Fenter, P.; Cheng, L.; Rihs, S.; Machesky, M.; Bedzyk, M. J.; Sturchio, N. C.

    2000-11-28

    We demonstrate that the X-ray standing wave (XSW) technique is a powerful probe of the electrical double-layer (EDL) structure. Measurements were made of Sr adsorption at the rutile (110)-water interface from aqueous solutions. Our results show that Bragg XSW, using small-period standing waves generated by Bragg diffraction from the substrate, precisely probes the location of ions within the condensed layer, and the in situ partitioning of ions between the condensed and diffuse layers. Such measurements can provide important constraints for the development and verification of theoretical models that describe ion adsorption at the solid-water interface.

  12. Visible ns-pulse laser oscillation in Pr-doped double-clad structured waterproof fluoride glass fibre with SESAM

    Directory of Open Access Journals (Sweden)

    Shota Kajikawa

    2017-06-01

    Full Text Available A visible Q-switched pulse train at 639 nm was successfully generated in a Pr-doped double-clad structured waterproof fluoride glass fibre with a semiconductor saturable absorber mirror. The slope efficiency was calculated as 36.3%. The pulse duration and the radio frequency were measured as 270 ns and 107 kHz at 596 mW of absorbed power, respectively. The pulse energy and the pulse peak power were calculated as 1.32 μJ and 4.87 W, respectively.

  13. Fabrication of unique hollow silicate nanoparticles with hierarchically micro/mesoporous shell structure by a simple double template approach.

    Science.gov (United States)

    Rivera-Virtudazo, R V; Fuji, M; Takai, C; Shirai, T

    2012-12-07

    An innovative type of hollow silicate nanoparticle with a micro/mesoporous shell wall (NSHPMS) was synthesized at room temperature via an eco-friendly double template approach, followed by simple acid reflux. TEM observations of NSHPMSs showed hollow interior nanoparticles (wormhole-like shell structure. The nitrogen gas (N(2)) adsorption/desorption isotherm exhibited a unique two-step pattern: the first step (0.2 wormhole mesoporous shell wall provided sufficient spaces that contribute to high adsorption capacities and faster adsorption rates. One can envision that larger quantities of framework composition can be obtained using our NSHPMSs.

  14. High-pressure synthesis, crystal structure and magnetic properties of double perovskite oxide Ba2CuOsO6

    International Nuclear Information System (INIS)

    Feng, Hai L.; Arai, Masao; Matsushita, Yoshitaka; Tsujimoto, Yoshihiro; Yuan, Yahua; Sathish, Clastin I.; He, Jianfeng; Tanaka, Masahiko; Yamaura, Kazunari

    2014-01-01

    A new compositional double perovskite oxide Ba 2 CuOsO 6 was synthesized under high-pressure (6 GPa) and high-temperature (1500 °C) conditions. The polycrystalline Ba 2 CuOsO 6 was characterized by synchrotron X-ray diffraction, thermogravimetric analysis, and magnetic susceptibility, isothermal magnetization, and specific heat measurements. The oxide crystallizes in a double-perovskite structure with an I4/m space group, in which Os(VI) and Cu(II) are ordered in the perovskite B-site. Ba 2 CuOsO 6 is electrically insulating with an activation energy of 0.813(2) eV and shows antiferromagnetic-like characteristics at temperatures of ∼55 K and ∼70 K. The results of the first-principle calculation suggested that the spin–orbit interaction of Os(VI) plays a substantial role in the insulating state. The Jahn–Teller distortion of CuO 6 octahedra influences the magnetic characteristics with regard to possible two-dimensional magnetic correlations. - Graphical abstract: A new compositional double perovskite oxide Ba 2 CuOsO 6 synthesized by a high-pressure (6 GPa) and high-temperature (1500 °C) method. - Highlights: • A new compositional double perovskite oxide Ba 2 CuOsO 6 was synthesized. • Ba 2 CuOsO 6 is electrically insulating and antiferromagnetic below ∼70 K. • The Jahn–Teller distortion of CuO 6 has relevance to possible magnetic anisotropy

  15. Single-Crystal X-ray Structure of Anti- Candida Agent, (E)-3- (1H ...

    African Journals Online (AJOL)

    Purpose: To determine the conformation as well as imine double bond configuration of the anti- Candida oximino ester, 3-(1H-imidazol-1-yl)-1-phenyl- propan-1-one O-3-chlorobenzoyl oxime. Methods: The titled compound was synthesized in a four-step reaction sequence using acetophenone as a starting material.

  16. Temporal structure of double plasma frequency emission of thin beam-heated plasma

    Science.gov (United States)

    Postupaev, V. V.; Burdakov, A. V.; Ivanov, I. A.; Sklyarov, V. F.; Arzhannikov, A. V.; Gavrilenko, D. Ye.; Kandaurov, I. V.; Kasatov, A. A.; Kurkuchekov, V. V.; Mekler, K. I.; Polosatkin, S. V.; Popov, S. S.; Rovenskikh, A. F.; Sudnikov, A. V.; Sulyaev, Yu. S.; Trunev, Yu. A.; Vyacheslavov, L. N.

    2013-09-01

    In the work presented here dynamics of spiky microwave emission of a beam-heated plasma near the double plasma frequency in ˜100 GHz band was studied. The plasma is heated by 80 keV, ˜2 MW, sub-ms electron beam that is injected into the multiple-mirror trap GOL-3. The beam-heated plasma diameter is of the order of the emitted wavelength. Modulation of individual emission spikes in the microwave radiation is found. The radiation dynamics observed can be attributed to a small number of compact emitting zones that are periodically distorted.

  17. Double-Exchange Interaction in Optically Induced Nonequilibrium State: A Conversion from Ferromagnetic to Antiferromagnetic Structure

    Science.gov (United States)

    Ono, Atsushi; Ishihara, Sumio

    2017-11-01

    The double-exchange (DE) interaction, that is, a ferromagnetic (FM) interaction due to a combination of electron motion and the Hund coupling, is a well-known source of a wide class of FM orders. Here, we show that the DE interaction in highly photoexcited states is antiferromagnetic (AFM). Transient dynamics of quantum electrons coupled with classical spins are analyzed. An ac field applied to a metallic FM state results in an almost perfect Néel state. A time characterizing the FM-to-AFM conversion is scaled by light amplitude and frequency. This hidden AFM interaction is attributable to the electron-spin coupling under nonequilibrium electron distribution.

  18. Periodic surface structures on titanium self-organized upon double femtosecond pulse exposures

    Czech Academy of Sciences Publication Activity Database

    Gemini, Laura; Hashida, M.; Miyasaka, Y.; Inoue, S.; Limpouch, J.; Mocek, Tomáš; Sakabe, S.

    2015-01-01

    Roč. 336, May (2015), s. 349-353 ISSN 0169-4332 R&D Projects: GA MŠk ED2.1.00/01.0027; GA MŠk EE2.3.20.0143; GA MŠk(CZ) LG13029; GA MŠk(CZ) LD14089 Grant - others:HILASE(XE) CZ.1.05/2.1.00/01.0027; OP VK 6(XE) CZ.1.07/2.3.00/20.0143 Institutional support: RVO:68378271 Keywords : LIPSS * titanium * femtosecond laser * double pulse irradiations Subject RIV: BH - Optics, Masers, Lasers Impact factor: 3.150, year: 2015

  19. Contributions to the Structural Analysis of the Double Gear Harmonic Transmission

    Directory of Open Access Journals (Sweden)

    DraghiŃa Ianici

    2013-05-01

    Full Text Available In this paper, we present the construction and functioning of a new constructive variant of harmonic drive called double gear harmonic transmission (DGHT. In the second part of the paper, we present the desmodromy analysis of the DGHT considering the planar approach of the respective mechanism. At establishing the mobility, class and order of the DGHT we have used the procedure of instantaneous– isokinetic transformation wich followed the identifica-tion of the kinematic groups of the mechanism and the replacement of the higher kinematic pairs by links and by lower kinematic pairs.

  20. Nonlinear electron acoustic structures generated on the high-potential side of a double layer

    Directory of Open Access Journals (Sweden)

    R. Pottelette

    2009-04-01

    Full Text Available High-time resolution measurements of the electron distribution function performed in the auroral upward current region reveals a large asymmetry between the low- and high-potential sides of a double-layer. The latter side is characterized by a large enhancement of a locally trapped electron population which corresponds to a significant part (~up to 30% of the total electron density. As compared to the background hot electron population, this trapped component has a very cold temperature in the direction parallel to the static magnetic field. Accordingly, the differential drift between the trapped and background hot electron populations generates high frequency electron acoustic waves in a direction quasi-parallel to the magnetic field. The density of the trapped electron population can be deduced from the frequency where the electron acoustic spectrum maximizes. In the auroral midcavity region, the electron acoustic waves may be modulated by an additional turbulence generated in the ion acoustic range thanks to the presence of a pre-accelerated ion beam located on the high-potential side of the double layer. Electron holes characterized by bipolar pulses in the electric field are sometimes detected in correlation with these electron acoustic wave packets.

  1. Effect of Pressure on Thermal Stability of G-Quadruplex DNA and Double-Stranded DNA Structures

    Directory of Open Access Journals (Sweden)

    Shuntaro Takahashi

    2013-10-01

    Full Text Available Pressure is a thermodynamic parameter that can induce structural changes in biomolecules due to a volumetric decrease. Although most proteins are denatured by pressure over 100 MPa because they have the large cavities inside their structures, the double-stranded structure of DNA is stabilized or destabilized only marginally depending on the sequence and salt conditions. The thermal stability of the G-quadruplex DNA structure, an important non-canonical structure that likely impacts gene expression in cells, remarkably decreases with increasing pressure. Volumetric analysis revealed that human telomeric DNA changed by more than 50 cm3 mol−1 during the transition from a random coil to a quadruplex form. This value is approximately ten times larger than that for duplex DNA under similar conditions. The volumetric analysis also suggested that the formation of G-quadruplex DNA involves significant hydration changes. The presence of a cosolute such as poly(ethylene glycol largely repressed the pressure effect on the stability of G-quadruplex due to alteration in stabilities of the interactions with hydrating water. This review discusses the importance of local perturbations of pressure on DNA structures involved in regulation of gene expression and highlights the potential for application of high-pressure chemistry in nucleic acid-based nanotechnology.

  2. Fabrication of (PPC/NCC)/PVA composites with inner-outer double constrained structure and improved glass transition temperature.

    Science.gov (United States)

    Cui, Shaoying; Li, Li; Wang, Qi

    2018-07-01

    Improving glass transition temperature (T g ) and mechanical property of the environment-friendly poly(propylene carbonate) via intermacromolecular complexation through hydrogen bonding is attractive and of great importance. A novel and effective strategy to prepare (polypropylene carbonate/nanocrystalline cellulose)/polyvinyl alcohol ((PPC/NCC)/PVA) composites with inner-outer double constrained structure was reported in this work. Outside the PPC phase, PVA, as a strong skeleton at microscale, could constrain the movement of PPC molecular chains by forming hydrogen bonding with PPC at the interface of PPC and PVA phases; inside the PPC phase, the rod-like NCC could restrain the flexible molecular chains of PPC at nanoscale by forming multi-hydrogen bonding with PPC. Under the synergistic effect of this novel inner-outer double constrained structure, T g , mechanical properties and thermal stability of (PPC/NCC)/PVA composite were significantly increased, e.g. T g of the composite researched the maximum value of 49.6 °C, respectively 15.6 °C, 5.7 °C and 4.2 °C higher than that of PPC, PPC/NCC and PPC/PVA composite. Copyright © 2018 Elsevier Ltd. All rights reserved.

  3. Death by Edible Mushroom: First Report of Volvariella volvacea as an Etiologic Agent of Invasive Disease in a Patient following Double Umbilical Cord Blood Transplantation▿

    Science.gov (United States)

    Salit, R. B.; Shea, Y. R.; Gea-Banacloche, J.; Fahle, G. A.; Abu-Asab, M.; Sugui, J. A.; Carpenter, A. E.; Quezado, M. M.; Bishop, M. R.; Kwon-Chung, K. J.

    2010-01-01

    We describe a case of invasive fungal infection caused by Volvariella volvacea following double umbilical cord blood transplantation (UCBT). Although infections caused by several mushroom species have been documented, we believe this to be the first published report of invasive infection with Volvariella volvacea, an edible mushroom belonging to Agaricales. PMID:20826647

  4. Lattice-matched double dip-shaped BAlGaN/AlN quantum well structures for ultraviolet light emission devices

    Science.gov (United States)

    Park, Seoung-Hwan; Ahn, Doyeol

    2018-05-01

    Ultraviolet light emission characteristics of lattice-matched BxAlyGa1-x-y N/AlN quantum well (QW) structures with double AlGaN delta layers were investigated theoretically. In contrast to conventional single dip-shaped QW structure where the reduction effect of the spatial separation between electron and hole wave functions is negligible, proposed double dip-shaped QW shows significant enhancement of the ultraviolet light emission intensity from a BAlGaN/AlN QW structure due to the reduced spatial separation between electron and hole wave functions. The emission peak of the double dip-shaped QW structure is expected to be about three times larger than that of the conventional rectangular AlGaN/AlN QW structure.

  5. Structural distortion on metal-insulator transition in ordered double perovskite Ca sub 2 FeReO sub 6

    CERN Document Server

    Oikawa, K; Kato, H; Tokura, Y

    2003-01-01

    The crystal and magnetic structures of an ordered double perovskite, Ca sub 2 FeReO sub 6 , were studied by high-resolution neutron powder diffraction as a function of the temperature from 7 K to 550 K. All of the diffraction data were precisely refined by the Rietveld method, and we confirmed a structural phase transition at around 140 K where the metal-insulator transition occurs from ferrimagnetic metal (FM) to ferrimagnetic insulator (FI) phases. At this temperature, there exists a change in the distortion direction of [ReO sub 6] octahedra together with a spin reorientation, which strongly supports the occurrence of orbital ordering of the t sub 2 sub g electrons. FM and FI phases coexist in a narrow temperature range at around 140 K, which is typically seen in the first-order phase transition. A phase separation was not detected in our well-characterized sample. (author)

  6. Crystal structure of (Al,V)4(P4O12)3, archetype of double cubic ring tetraphosphate

    International Nuclear Information System (INIS)

    Yakubovich, O. V.; Biralo, G. V.; Dimitrova, O. V.

    2012-01-01

    The crystal structure of the (Al,V) 4 (P 4 O 12 ) 3 solid solution, obtained in the single-crystal form by hydrothermal synthesis in the Al(OH) 3 -VO 2 -NaCl-H 3 PO 4 -H 2 O system, has been solved by X-ray diffraction analysis (Xcalibur-S-CCD diffractometer, R = 0.0257): a = 13.7477(2) Å, sp. gr. I 4 bar 3d, Z = 4, and ρ calcd = 2.736 g/cm 3 . It is shown that the crystal structure of the parent cubic Al 4 (P 4 O 12 ) 3 modification can formally be considered an archetype for the formation of double isosymmetric tetraphosphates on its basis.

  7. Comparison of density functional and modified Poisson-Boltzmann structural properties for a spherical double layer

    Directory of Open Access Journals (Sweden)

    L.B.Bhuiyan

    2005-01-01

    Full Text Available The density functional and modified Poisson-Boltzmann descriptions of a spherical (electric double layer are compared and contrasted vis-a-vis existing Monte Carlo simulation data (for small ion diameter 4.25·10-10 m from the literature for a range of physical parameters such as macroion surface charge, macroion radius, valencies of the small ions, and electrolyte concentration. Overall, the theoretical predictions are seen to be remarkably consistent between themselves, being also in very good agreement with the simulations. Some modified Poisson-Boltzmann results for the zeta potential at small ion diameters of 3 and 2·10-10 m are also reported.

  8. Structuring Socio-technical Complexity: Modelling Agent Systems using Institutional Analysis

    NARCIS (Netherlands)

    Ghorbani, A.

    2013-01-01

    Socio-technical systems consist of many heterogeneous decision making entities and technological artefacts. These systems are governed through public policy that unravels in a multi-scale institutional context, which ranges from norms and values to technical standards. Simulation, agent-based

  9. A General Agent Model of Emotion and Trust using the BDI Structure

    NARCIS (Netherlands)

    Höhle, Daniel

    2010-01-01

    To endow virtual agents with more human-like behaviour, the current project proposes a new model for decision making based on emotions and trust. The project focuses first on the conceptual design of the model, then on the implementation of this model. To try to reproduce human decision making,

  10. Substituted piperazines as nootropic agents: 2- or 3-phenyl derivatives structurally related to the cognition-enhancer DM235.

    Science.gov (United States)

    Guandalini, Luca; Martino, Maria Vittoria; Di Cesare Mannelli, Lorenzo; Bartolucci, Gianluca; Melani, Fabrizio; Malik, Ruchi; Dei, Silvia; Floriddia, Elisa; Manetti, Dina; Orlandi, Francesca; Teodori, Elisabetta; Ghelardini, Carla; Romanelli, Maria Novella

    2015-04-15

    A series of 2-phenyl- or 3-phenyl piperazines, structurally related to DM235 and DM232, two potent nootropic agents, have been prepared and tested in the mouse passive-avoidance test, to assess their ability to revert scopolamine-induced amnesia. Although the newly synthesized molecules were less potent than the parent compounds, some useful information has been obtained from structure-activity relationships. A small but significant enantioselectivity has been found for the most potent compound 5a. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. Structure-activity relationship study of phenylpyrazole derivatives as a novel class of anti-HIV agents.

    Science.gov (United States)

    Mizuhara, Tsukasa; Kato, Takayuki; Hirai, Atsushi; Kurihara, Hideki; Shimada, Yasuhiro; Taniguchi, Masahiko; Maeta, Hideki; Togami, Hiroaki; Shimura, Kazuya; Matsuoka, Masao; Okazaki, Shiho; Takeuchi, Tomoki; Ohno, Hiroaki; Oishi, Shinya; Fujii, Nobutaka

    2013-08-15

    The structure-activity relationship of phenylpyrazole derivative 1 was investigated for the development of novel anti-HIV agents. Initial efforts revealed that the diazenyl group can be replaced by an aminomethylene group. In addition, we synthesized various derivatives by the reductive amination of benzaldehydes with 5-aminopyrazoles and carried out parallel structural optimization on the benzyl group and the pyrazole ring. This optimization led to a six-fold more potent derivative 32j than the lead compound 1, and this derivative has a 3',4'-dichloro-(1,1'-biphenyl)-3-yl group. Copyright © 2013 Elsevier Ltd. All rights reserved.

  12. Synthesis, structural characterization and in vitro testing of dysprosium containing silica particles as potential MRI contrast enhancing agents

    Energy Technology Data Exchange (ETDEWEB)

    Chiriac, L.B.; Trandafir, D.L. [Faculty of Physics & National Magnetic Resonance Center, Babeş-Bolyai University, Cluj-Napoca, RO-400084 (Romania); Interdisciplinary Research Institute on Bio-Nano-Sciences & Faculty of Physics, Babeş-Bolyai University, Cluj-Napoca, RO-400084 (Romania); Turcu, R.V.F. [Faculty of Physics & National Magnetic Resonance Center, Babeş-Bolyai University, Cluj-Napoca, RO-400084 (Romania); Todea, M. [Interdisciplinary Research Institute on Bio-Nano-Sciences & Faculty of Physics, Babeş-Bolyai University, Cluj-Napoca, RO-400084 (Romania); Simon, S., E-mail: simons@phys.ubbcluj.ro [Faculty of Physics & National Magnetic Resonance Center, Babeş-Bolyai University, Cluj-Napoca, RO-400084 (Romania); Interdisciplinary Research Institute on Bio-Nano-Sciences & Faculty of Physics, Babeş-Bolyai University, Cluj-Napoca, RO-400084 (Romania)

    2016-11-01

    Highlights: • Dysprosium containing silica microparticles obtained by freeze and spray drying. • Higher structural units interconnection achieved in freeze vs. spray dried samples. • Dy occurance on the outermost layer of the microparticles evidenced by XPS. • Enhanced MRI contrast observed for freeze dried samples with 5% mol Dy{sub 2}O{sub 3}. - Abstract: The work is focused on synthesis and structural characterization of novel dysprosium-doped silica particles which could be considered as MRI contrast agents. Sol-gel derived silica rich particles obtained via freeze-drying and spray-drying processing methods were structurally characterized by XRD, {sup 29}Si MAS-NMR and XPS methods. The occurrence of dysprosium on the outermost layer of dysprosium containing silica particles was investigated by XPS analysis. The MRI contrast agent characteristics have been tested using RARE-T{sub 1} and RARE-T{sub 2} protocols. The contrast of MRI images delivered by the investigated samples was correlated with their local structure. Dysprosium disposal on microparticles with surface structure characterised by decreased connectivity of the silicate network units favours dark T{sub 2}-weighted MRI contrast properties.

  13. Crystal structures of human group-VIIA phospholipase A2 inhibited by organophosphorus nerve agents exhibit non-aged complexes.

    Science.gov (United States)

    Samanta, Uttamkumar; Kirby, Stephen D; Srinivasan, Prabhavathi; Cerasoli, Douglas M; Bahnson, Brian J

    2009-08-15

    The enzyme group-VIIA phospholipase A2 (gVIIA-PLA2) is bound to lipoproteins in human blood and hydrolyzes the ester bond at the sn-2 position of phospholipid substrates with a short sn-2 chain. The enzyme belongs to a serine hydrolase superfamily of enzymes, which react with organophosphorus (OP) nerve agents. OPs ultimately exert their toxicity by inhibiting human acetycholinesterase at nerve synapses, but may additionally have detrimental effects through inhibition of other serine hydrolases. We have solved the crystal structures of gVIIA-PLA2 following inhibition with the OPs diisopropylfluorophosphate, sarin, soman and tabun. The sarin and soman complexes displayed a racemic mix of P(R) and P(S) stereoisomers at the P-chiral center. The tabun complex displayed only the P(R) stereoisomer in the crystal. In all cases, the crystal structures contained intact OP adducts that had not aged. Aging refers to a secondary process OP complexes can go through, which dealkylates the nerve agent adduct and results in a form that is highly resistant to either spontaneous or oxime-mediated reactivation. Non-aged OP complexes of the enzyme were corroborated by trypsin digest and matrix-assisted laser desorption ionization mass spectrometry of OP-enzyme complexes. The lack of stereoselectivity of sarin reaction was confirmed by gas chromatography/mass spectrometry using a chiral column to separate and quantitate the unbound stereoisomers of sarin following incubation with enzyme. The structural details and characterization of nascent reactivity of several toxic nerve agents is discussed with a long-term goal of developing gVIIA-PLA2 as a catalytic bioscavenger of OP nerve agents.

  14. Investigation of impact phenomena on the marine structures: Part I - On the behaviour of thin-walled double bottom tanker during rock-structure interaction

    Science.gov (United States)

    Prabowo, A. R.; Cho, H. J.; Byeon, J. H.; Bae, D. M.; Sohn, J. M.

    2018-01-01

    Predicted loads, such as crew, cargo, and structure have been applied as main inputs during ship design and analysis. However, unexpected events on the sea has high possibility to deliver remarkable losses for ship, industry, and environment. Previous oil spill incident by the Exxon Valdez in Alaska is the perfect example which an environmental damage and industry loss are initiated by an impact phenomenon on the ship, i.e. grounding. Even though hull arrangement has adopted double hull system, grounding may threaten ship safety in various scenarios. This situation pushes society to demand sustainable investigation for impact phenomena on water transportation mode to update understanding in the phenomenon and ensure structural safety during ship operation. This work aimed to study structural behaviour of chemical tanker as a marine structure under impact, namely ship grounding. Bottom raking case was considered to be calculated by virtual experiment. The study was performed using nonlinear finite element (FE) method and an idealised geometry of seabed rock would be deployed to be hard obstruction. Observation on the selected crashworthiness criteria, i.e. internal energy and crushing force indicated that as advanced penetration occurred on the ship structure, the absorbed strain energy continued to increase, while major fluctuation appeared during the initial contact between obstruction and ship happened. Damage extent of several structural members during the crushing process was shown, which concluded that the bottom plating had the largest severity in forms of tearing mode among of all members on the bottom structure.

  15. Comparative evaluation of dexmedetomidine and midazolam-ketamine combination as sedative agents in pediatric dentistry: A double-blinded randomized controlled trial

    OpenAIRE

    Malhotra, Parul Uppal; Thakur, Seema; Singhal, Parul; Chauhan, Deepak; Jayam, Cheranjeevi; Sood, Ritu; Malhotra, Yagyeshwar

    2016-01-01

    Background: Pharmacological methods have been used as an adjunct to enhance child cooperativeness and facilitate dental treatment. Objective: Purpose of this study was to evaluate and compare the effect of sedation by intranasal dexmedetomidine and oral combination drug midazolam–ketamine in a group of children with uncooperative behavior requiring dental treatment. Materials and Methods: This was a prospective, randomized, double-blind study that included patients 3–9 years old with American...

  16. Synthesis, structure refinement and chromate sorption characteristics of an Al-rich bayerite-based layered double hydroxide

    Energy Technology Data Exchange (ETDEWEB)

    Britto, Sylvia, E-mail: sylviabritto11@gmail.com; Kamath, P. Vishnu

    2014-07-01

    “Imbibition” of Zn{sup 2+} ions into the cation vacancies of bayerite–Al(OH){sub 3} and NO{sub 3}{sup −} ions into the interlayer gallery yields an Al-rich layered double hydroxide with Al/Zn ratio ∼3. NO{sub 3}{sup −} ions are intercalated with their molecular planes inclined at an angle to the plane of the metal hydroxide slab and bonded to it by hydrogen bonds. Rietveld refinement of the structure shows that the monoclinic symmetry of the precursor bayerite is preserved in the product, showing that the imbibition is topochemical in nature. The nitrate ion is labile and is quantitatively replaced by CrO{sub 4}{sup 2−} ions from solution. The uptake of CrO{sub 4}{sup 2−} ions follows a Langmuir adsorption isotherm, thus showing that the hydroxide is a candidate material for green chemistry applications for the removal of CrO{sub 4}{sup 2−} ions from waste water. Rietveld refinement of the structure of the hydroxide after CrO{sub 4}{sup 2−} inclusion reveals that the CrO{sub 4}{sup 2−} ion is intercalated with one of its 2-fold axes parallel to the b-crystallographic axis of the crystal, also the principal 2 axis of the monoclinic cell. - Graphical abstract: The structure of the [Zn–Al4-nitrate] LDH viewed along the a-axis. - Highlights: • Synthesis of Al-rich layered double hydroxide with Al/Zn ratio ∼3. • Rietveld refinement indicates that the imbibition of Zn into Al(OH){sub 3} is topochemical in nature. • The uptake of CrO{sub 4}{sup 2−} ions follows a Langmuir adsorption isotherm.

  17. Memory effects induce structure in social networks with activity-driven agents

    International Nuclear Information System (INIS)

    Medus, A D; Dorso, C O

    2014-01-01

    Activity-driven modelling has recently been proposed as an alternative growth mechanism for time varying networks,displaying power-law degree distribution in time-aggregated representation. This approach assumes memoryless agents developing random connections with total disregard of their previous contacts. Thus, such an assumption leads to time-aggregated random networks that do not reproduce the positive degree-degree correlation and high clustering coefficient widely observed in real social networks. In this paper, we aim to study the incidence of the agents' long-term memory on the emergence of new social ties. To this end, we propose a dynamical network model assuming heterogeneous activity for agents, together with a triadic-closure step as main connectivity mechanism. We show that this simple mechanism provides some of the fundamental topological features expected for real social networks in their time-aggregated picture. We derive analytical results and perform extensive numerical simulations in regimes with and without population growth. Finally, we present an illustrative comparison with two case studies, one comprising face-to-face encounters in a closed gathering, while the other one corresponding to social friendship ties from an online social network. (paper)

  18. Sensor agent robot with servo-accelerometer for structural health monitoring

    Science.gov (United States)

    Lee, Nobukazu; Mita, Akira

    2012-04-01

    SHM systems are becoming feasible with the growth of computer and sensor technologies during the last decade. However, high cost prevents SHM to become common in general homes. The reason of this high cost is partially due to many accelerometers. In this research, we propose a moving sensor agent robot with accelerometers and a laser range finder (LRF). If this robot can properly measure accurate acceleration data, the cost of SHM would be cut down and resulting in the spread of SHM systems. Our goal is to develop a platform for SHM using the sensor agent robot. We designed the prototype robot to correctly detect the floor vibrations and acquire the micro tremor information. When the sensor agent robot is set in the mode of acquiring the data, the dynamics of the robot should be tuned not to be affected by its flexibility. To achieve this purpose the robot frame was modified to move down to the ground and to provide enough rigidity to obtain good data. In addition to this mechanism, we tested an algorithm to correctly know the location of the robot and the map of the floor to be used in the SHM system using the LRF and Simultaneously Localization and Mapping (SLAM).

  19. An Exceptionally Facile Two-Step Structural Isomerization and Detoxication via a Water-Assisted Double Lossen Rearrangement

    Science.gov (United States)

    Li, Feng; Huang, Chun-Hua; Xie, Lin-Na; Qu, Na; Shao, Jie; Shao, Bo; Zhu, Ben-Zhan

    2016-01-01

    N-hydroxyphthalimide (NHPI), which is best known as an organocatalyst for efficient C-H activation, has been found to be oxidized by quinoid compounds to its corresponding catalytically active nitroxide-radical. Here, we found that NHPI can be isomerized into isatoic anhydride by an unusually facile two-step method using tetrachloro-1,4-benzoquinone (TCBQ, p-chloranil), accompanied by a two-step hydrolytic dechlorination of highly toxic TCBQ into the much less toxic dihydroxylation product, 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone (chloranilic acid). Interestingly, through the complementary application of oxygen-18 isotope-labeling, HPLC combined with electrospray ionization quadrupole time-of-flight and high resolution Fourier transform ion cyclotron resonance mass spectrometric studies, we determined that water was the source and origin of oxygen for isatoic anhydride. Based on these data, we proposed that nucleophilic attack with a subsequent water-assisted Lossen rearrangement coupled with rapid intramolecular addition and cyclization in two consecutive steps was responsible for this unusual structural isomerization of NHPI and concurrent hydroxylation/detoxication of TCBQ. This is the first report of an exceptionally facile double-isomerization of NHPI via an unprecedented water-assisted double-Lossen rearrangement under normal physiological conditions. Our findings may have broad implications for future research on hydroxamic acids and polyhalogenated quinoid carcinogens, two important classes of compounds of major chemical and biological interest. PMID:28008985

  20. On the numerical investigation of sound transmission through double-walled structures with membrane-type acoustic metamaterials.

    Science.gov (United States)

    Marinova, Polina; Lippert, Stephan; von Estorff, Otto

    2017-10-01

    Acoustic metamaterials appear to be of great help in the design of reliable and effective noise reduction measures in the low frequency range. The current contribution is concerned with the modeling of a low-frequency noise shield, based on a double wall arrangement, which includes membrane-type acoustic metamaterials (MAMs), considered as the most promising approach when it comes especially to the tonal noise at frequencies below 300 Hz. MAMs consist of small-sized membranes loaded with a mass. Due to their robustness and relatively simple production, MAMs have been proven to decrease the sound transmission in frequency ranges, for which poro-elastic materials have a rather negligible effect. A simulation model of a double wall panel, whose acoustic cavity is furnished with layers of metamaterials, has been developed and the sound transmission loss (STL) through the structure was calculated, using the finite element method. In order to validate the modelling approach, the STL estimation from the finite element analysis was compared to experimental measurements. The achieved results indicate a noise-decreasing possibility in tunable narrow bands as well as a broadband noise reduction for frequencies less than 300 Hz without significantly adding to the panel mass.

  1. Synthesis, surface structure and optical properties of double perovskite Sr{sub 2}NiMoO{sub 6} nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Lei; Wan, Yingpeng [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123 (China); Xie, Hongde, E-mail: xiehongde@suda.edu.cn [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123 (China); Huang, Yanlin; Yang, Li [State and Local Joint Engineering Laboratory for Novel Functional Polymeric Materials, College of Chemistry, Chemical Engineering and Materials Science, Soochow University, Suzhou, 215123 (China); Qin, Lin [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan, 608-737 (Korea, Republic of); Seo, Hyo Jin, E-mail: hjseo@pknu.ac.kr [Department of Physics and Interdisciplinary Program of Biomedical, Mechanical & Electrical Engineering, Pukyong National University, Busan, 608-737 (Korea, Republic of)

    2016-12-15

    Highlights: • Double perovskite Sr{sub 2}NiMoO{sub 6} nanoparticles were prepared via sol-gel route. • The nanoparticles have efficient optical absorption in visible light. • The band structure and energy positions were determined. • The perovskite has efficient photocatalytic on RhB photodegradation. • Multivalent Mo and Ni-ions on the surfaces were investigated. - Abstract: Double perovskite Sr{sub 2}NiMoO{sub 6} nanoparticles were synthesized via the chemical sol-gel route. The phase formation was investigated through X-ray polycrystalline diffraction (XRD) and Rietveld refinements. The perovskite crystallized in worm-like nano-grains with the diameter of 20–50 nm. The optical properties were measured by the optical absorption spectra. The nanoparticles present an indirect allowed transition with a narrow band gap of 2.1 eV. Sr{sub 2}NiMoO{sub 6} nanoparticles have obvious photocatalytic ability on the degradation of Rhodamine B (RhB) solutions under the irradiation of visible light. The transport behaviors of the excitons were investigated from the photoluminescence spectra and the corresponding decay lifetimes. Sr{sub 2}NiMoO{sub 6} nanoparticles present several advantages for photocatalysis such as the appropriate band energy positions, the quenched luminescence, and the coexistence of multivalent ions in the lattices.

  2. The effect of structural ordering on the magnetic, electronic, and optical properties of the LaPbMnSbO6 double perovskite

    International Nuclear Information System (INIS)

    Zhandun, V.S.; Zinenko, V.I.

    2016-01-01

    The interplay between the magnetic, electronic, and optical properties and the cation structural ordering in the LaPbMnSbO 6 double perovskite is studied using the Vienna Ab Initio Simulation Package (VASP). The layer and rock-salt cation ordering types are investigated. Both of them are of great importance. The rock-salt ordering of B-site cations is one of the most frequently met cation ordering types in double perovskites; the layer ordering of both cations, which can be considered as a heterostructure, is interesting for fundamental research and experimental synthesis. It was established that the properties of the two investigated structures are strongly different. The compound with the layered structure exhibits the behavior typical of a semimetal with the ferromagnetic configuration of magnetic moments, which is unusual for a double perovskite. The rock-salt structure behaves as an antiferromagnetic insulator. Another surprising feature of the structure with the layer ordering is the coexistence of a polar phase and the metal-type conductivity. The calculated optical characteristics of the two ordered structures are compared with the experimental dates. - Highlights: • The dependence of LaPbMnSbO 6 properties on the structural ordering. • The unusual behavior of electronic and magnetic properties of LL ordered compound. • Weyl-like features in the band structure of LL ordered double perovskite. • The presence of polar phase along with metal conductivity in LL ordered compound.

  3. Effect of various structure directing agents on the physicochemical properties of the silica aerogels prepared at an ambient pressure

    KAUST Repository

    Sarawade, Pradip

    2013-12-01

    We studied the effects of various surfactants on the textural properties (BET surface area, pore size, and pore volume) of the silica aerogels prepared at an ambient pressure. A simple surface modification of silica gel prepared at an ambient pressure through hydrolysis and polycondensation of TEOS as asilica precursor was conducted using various structure directing agents. The treatment was found to induce a significant difference in the porosity of the silica aerogel. Highly porous silica aerogels with bimodal porous structures were prepared by modifying the surface of the silica wet-gel (alcogel) with trimethylchlorosilane (TMCS) in order to preserve its porosity. The samples were analyzed by small-angle X-ray scattering and nitrogen adsorption. In this work, a possible new type of highly porous hydrophobic silica aerogel with a bimodal porous structure is presented. A hydrophilic extremely porous (high surface area and large pore volume) silica aerogel was obtained by heating the as-synthesized hydrophobic silica aerogel at 400°C for 1 h. There was a significant effect of structure directing agent on the textural properties, such as specific surface area, pore size distribution and cumulative pore volume of the silicaaerogels. © 2013 Elsevier B.V. All rights reserved.

  4. Nonplanar Organic Sensitizers Featuring a Tetraphenylethene Structure and Double Electron-Withdrawing Anchoring Groups.

    Science.gov (United States)

    Zhang, Fangshuai; Fan, Jie; Yu, Huijuan; Ke, Zhuofeng; Nie, Changming; Kuang, Daibin; Shao, Guang; Su, Chengyong

    2015-09-18

    Two metal-free organic sensitizers containing two N,N-diethylaniline (DEA) moieties and a twisted 1,1,2,2-tetraphenylethene (TPE) structure, dye SD with one anchoring group and dye DD with two anchoring groups, were synthesized and applied in dye-sensitized solar cells (DSSCs). The introduction of a nonplanar TPE structure was used to form a series of propeller-like structures and reduce the tendency of dyes to randomly aggregate on TiO2 surface, but without importing an aggregation-induced emission (AIE) property. The thermal stabilities, UV-vis absorption spectra, electrochemical properties, and photovoltaic parameters of DSSCs with these two dyes were systematically studied and compared with each other. The overall conversion efficiencies (η) of 4.56% for dye SD and 6.08% for dye DD were obtained under AM 1.5 G irradiation.

  5. Mitigation of Flanking Noise in Double-Plate Panel Structures by Periodic Stiffening

    DEFF Research Database (Denmark)

    Domadiya, Parthkumar Gandalal; Dickow, Kristoffer Ahrens; Andersen, Lars

    2011-01-01

    The present analysis focuses on flanking noise transmission within a two-wall structure of finite size. The walls are lightweight panel structures, each consisting of two plates with internal ribs. A finite-element model is utilized, assuming that the studs are fully fixed to the plates. Further...... is important. Hence, analyses are carried out for different positions of the load. It has been found that the ribs have a significant impact, not only on the flanking noise but also on the direct radiation of sound from the wall on which the external force has been placed. Furthermore, the response changes...

  6. Magnetic and thermal responses triggered by structural changes in the double perovskite Sr2YRuO6.

    Science.gov (United States)

    Bernardo, P L; Ghivelder, L; Eslava, G G; Amorim, H S; Sinnecker, E H C; Felner, I; Neumeier, J J; García, S

    2012-12-05

    Among double perovskites, the interpretation of the magnetic, thermal and transport properties of Sr(2)YRuO(6) remains a challenge. Characterization using different techniques reveals a variety of features that are not understood, described as anomalous, and yields contradictory values for several relevant parameters. We solved this situation through detailed susceptibility, specific heat, thermal expansion and x-ray diffraction measurements, including a quantitative correlation of the parameters characterizing the so-called anomalies. The emergence of short-range magnetic correlations, surviving well above the long-range transition, naturally accounts for the observed unconventional behavior of this compound. High resolution x-ray powder diffraction and thermal expansion results conclusively show that the magnetic and thermal responses are driven by lattice changes, providing a comprehensive scenario in which the interplay between the spin and structural degrees of freedom plays a relevant role.

  7. Magnetic and thermal responses triggered by structural changes in the double perovskite Sr2YRuO6

    International Nuclear Information System (INIS)

    Bernardo, P L; Ghivelder, L; Eslava, G G; Amorim, H S; Sinnecker, E H C; García, S; Felner, I; Neumeier, J J

    2012-01-01

    Among double perovskites, the interpretation of the magnetic, thermal and transport properties of Sr 2 YRuO 6 remains a challenge. Characterization using different techniques reveals a variety of features that are not understood, described as anomalous, and yields contradictory values for several relevant parameters. We solved this situation through detailed susceptibility, specific heat, thermal expansion and x-ray diffraction measurements, including a quantitative correlation of the parameters characterizing the so-called anomalies. The emergence of short-range magnetic correlations, surviving well above the long-range transition, naturally accounts for the observed unconventional behavior of this compound. High resolution x-ray powder diffraction and thermal expansion results conclusively show that the magnetic and thermal responses are driven by lattice changes, providing a comprehensive scenario in which the interplay between the spin and structural degrees of freedom plays a relevant role.

  8. A structural model of the genome packaging process in a membrane-containing double stranded DNA virus.

    Directory of Open Access Journals (Sweden)

    Chuan Hong

    2014-12-01

    Full Text Available Two crucial steps in the virus life cycle are genome encapsidation to form an infective virion and genome exit to infect the next host cell. In most icosahedral double-stranded (ds DNA viruses, the viral genome enters and exits the capsid through a unique vertex. Internal membrane-containing viruses possess additional complexity as the genome must be translocated through the viral membrane bilayer. Here, we report the structure of the genome packaging complex with a membrane conduit essential for viral genome encapsidation in the tailless icosahedral membrane-containing bacteriophage PRD1. We utilize single particle electron cryo-microscopy (cryo-EM and symmetry-free image reconstruction to determine structures of PRD1 virion, procapsid, and packaging deficient mutant particles. At the unique vertex of PRD1, the packaging complex replaces the regular 5-fold structure and crosses the lipid bilayer. These structures reveal that the packaging ATPase P9 and the packaging efficiency factor P6 form a dodecameric portal complex external to the membrane moiety, surrounded by ten major capsid protein P3 trimers. The viral transmembrane density at the special vertex is assigned to be a hexamer of heterodimer of proteins P20 and P22. The hexamer functions as a membrane conduit for the DNA and as a nucleating site for the unique vertex assembly. Our structures show a conformational alteration in the lipid membrane after the P9 and P6 are recruited to the virion. The P8-genome complex is then packaged into the procapsid through the unique vertex while the genome terminal protein P8 functions as a valve that closes the channel once the genome is inside. Comparing mature virion, procapsid, and mutant particle structures led us to propose an assembly pathway for the genome packaging apparatus in the PRD1 virion.

  9. A structural model of the genome packaging process in a membrane-containing double stranded DNA virus.

    Science.gov (United States)

    Hong, Chuan; Oksanen, Hanna M; Liu, Xiangan; Jakana, Joanita; Bamford, Dennis H; Chiu, Wah

    2014-12-01

    Two crucial steps in the virus life cycle are genome encapsidation to form an infective virion and genome exit to infect the next host cell. In most icosahedral double-stranded (ds) DNA viruses, the viral genome enters and exits the capsid through a unique vertex. Internal membrane-containing viruses possess additional complexity as the genome must be translocated through the viral membrane bilayer. Here, we report the structure of the genome packaging complex with a membrane conduit essential for viral genome encapsidation in the tailless icosahedral membrane-containing bacteriophage PRD1. We utilize single particle electron cryo-microscopy (cryo-EM) and symmetry-free image reconstruction to determine structures of PRD1 virion, procapsid, and packaging deficient mutant particles. At the unique vertex of PRD1, the packaging complex replaces the regular 5-fold structure and crosses the lipid bilayer. These structures reveal that the packaging ATPase P9 and the packaging efficiency factor P6 form a dodecameric portal complex external to the membrane moiety, surrounded by ten major capsid protein P3 trimers. The viral transmembrane density at the special vertex is assigned to be a hexamer of heterodimer of proteins P20 and P22. The hexamer functions as a membrane conduit for the DNA and as a nucleating site for the unique vertex assembly. Our structures show a conformational alteration in the lipid membrane after the P9 and P6 are recruited to the virion. The P8-genome complex is then packaged into the procapsid through the unique vertex while the genome terminal protein P8 functions as a valve that closes the channel once the genome is inside. Comparing mature virion, procapsid, and mutant particle structures led us to propose an assembly pathway for the genome packaging apparatus in the PRD1 virion.

  10. Synthesis of Some 4-Quinolones and Related Structures for Evaluation as Potential Antimalarial Agents

    Science.gov (United States)

    1974-11-30

    10CHO 200 O- OH IV Compound V was prepared by the Mannich reaction of 2-mcthyl-7-rnethoxy-4(lP)- quinolone and N-methyl-N-octadecylamine, in good...would hopefully provide useful anti- malarial agents. Chemistry 1. 4(iH)-Quinolones related to endochin Compounds IV was prepared by the reaction of...the aldehyde (4:1) was used in this reaction in order to obtain an homogeneous reaction mixture. With the successful preparation of IV, the rta• tor

  11. Structural, magnetic and electrical properties of a new double-perovskite LaNaMnMoO6 material.

    Science.gov (United States)

    Borchani, Sameh Megdiche; Koubaa, Wissem Cheikh-Rouhou; Megdiche, Makrem

    2017-11-01

    Structural, magnetic, magnetocaloric, electrical and magnetoresistance properties of an LaNaMnMoO 6 powder sample have been investigated by X-ray diffraction (XRD), magnetic and electrical measurements. Our sample has been synthesized using the ceramic method. Rietveld refinements of the XRD patterns show that our sample is single phase and it crystallizes in the orthorhombic structure with Pnma space group. Magnetization versus temperature in a magnetic applied field of 0.05 T shows that our sample exhibits a paramagnetic-ferromagnetic transition with decreasing temperature. The Curie temperature T C is found to be 320 K. Arrott plots show that all our double-perovskite oxides exhibit a second-order magnetic phase transition. From the measured magnetization data of an LaNaMnMoO 6 sample as a function of the magnetic applied field, the associated magnetic entropy change |-ΔSM| and the relative cooling power (RCP) have been determined. In the vicinity of T C , |-ΔSM| reached, in a magnetic applied field of 8 T, a maximum value of ∼4 J kg -1  K -1 . Our sample undergoes a large magnetocaloric effect at near-room temperature. Resistivity measurements reveal the presence of an insulating-metal transition at Tρ = 180 K. A magnetoresistance of 30% has been observed at room temperature for 6 T, significantly larger than that reported for the A 2 FeMoO 6 (A = Sr, Ba) double-perovskite system.

  12. Structures and electrochemical performances of pyrolized carbons from graphite oxides for electric double-layer capacitor

    Science.gov (United States)

    Kim, Ick-Jun; Yang, Sunhye; Jeon, Min-Je; Moon, Seong-In; Kim, Hyun-Soo; Lee, Yoon-Pyo; An, Kye-Hyeok; Lee, Young-Hee

    The structural features and the electrochemical performances of pyrolized needle cokes from oxidized cokes are examined and compared with those of KOH-activated needle coke. The structure of needle coke is changed to a single phase of graphite oxide after oxidation treatment with an acidic solution having an NaClO 3/needle coke composition ratio of above 7.5, and the inter-layer distance of the oxidized needle coke is expanded to 6.9 Å with increasing oxygen content. After heating at 200 °C, the oxidized needle coke is reduced to a graphite structure with an inter-layer distance of 3.6 Å. By contrast, a change in the inter-layer distance in KOH-activated needle coke is not observed. An intercalation of pyrolized needle coke, observed on first charge, occurs at 1.0 V. This value is lower than that of KOH-activation needle coke. A capacitor using pyrolized needle coke exhibits a lower internal resistance of 0.57 Ω in 1 kHz, and a larger capacitance per weight and volume of 30.3 F g -1 and 26.9 F ml -1, in the two-electrode system over the potential range 0-2.5 V compared with those of a capacitor using KOH-activation of needle coke. This better electrochemical performance is attributed to a distorted graphene layer structure derived from the process of the inter-layer expansion and shrinkage.

  13. Traffic Load on Interconnection Lines of Generalized Double Ring Network Structures

    DEFF Research Database (Denmark)

    Pedersen, Jens Myrup; Riaz, Muhammad Tahir; Madsen, Ole Brun

    2005-01-01

    consists of two planar rings, which are easily embedded by fiber or other wired solutions. It is shown that for large N2R structures, the interconnection lines carry notably lower loads than the other lines if shortest-path routing is used, and the effects of two other routing schemes are explored, leading...

  14. Electronic structure, magnetic, mechanical and thermo-physical behavior of double perovskite Ba2MgOsO6

    Science.gov (United States)

    Dar, Sajad Ahmad; Srivastava, Vipul; Sakalle, Umesh Kumar; Parey, Vanshree

    2018-02-01

    The electronic structure, the magnetic, elasto-mechanical and thermodynamic belongings of cubic double oxide perovskites Ba2MgOsO6 have been successfully investigated within the full potential linearized augmented plane wave method (FP-LAPW), based upon the density functional theory (DFT). The structural examination reveals ferromagnetic stability and the spin polarized electronic band structure and density of states display half-metallic nature of the compound. The calculated magnetic moment was found to have an integer value of 2μ_B. From the knowledge of obtained elastic constants mechanical properties like Young's modulus ( E), shear modulus ( G), Poisson ratio (ν) and the anisotropic factor have been predicted. The calculated B/ G and Cauchy pressure ( C_{12}-C_{44}) both portray the ductile nature of the compound. For a complete understanding of the thermo-physical behavior of vital parameters like heat capacity, thermal expansion, Grüneisen parameter and Debye temperature were predicted using quasi harmonic Debye approximation.

  15. Germanic Settlement Structure in the Middle Danube Region as a Complex System of Agent-Based Modeling

    Czech Academy of Sciences Publication Activity Database

    Vlach, Marek

    2015-01-01

    Roč. 42, č. 1 (2015), s. 741-748 ISSN 0323-9535. [International Congress of Roman Frontier Studies /22./. Ruse, 06.09.2012-11.09.2012] R&D Projects: GA ČR GA404/09/1054 Grant - others:Rada Programu interní podpory projektů mezinárodní spolupráce AV ČR(CZ) M300011201 Program:M Institutional support: RVO:68081758 Keywords : Roman period * Middle Danube region * Germanic settlement structure * Agent Based Modeling * archaeological demography Subject RIV: AC - Archeology, Anthropology, Ethnology

  16. Competence and Career. A Double Career Structure and Reduced Recognition in Aging Institutions

    OpenAIRE

    Sylvia Kade

    2008-01-01

    The occupation is a relationship of appropriation, which is only realized in relationships of recognition between organization and work. The organization includes its members by a mutual exchange of benefits, which is referred to as a relationship of recognition. The basic rule of the mutuality of relationships of recognition is called into question in knowledge-based organizations of "aging institutions." The limited reciprocity of the "closed opportunity structure" is the result of an insti...

  17. Investigation of three home-applied bleaching agents on enamel structure and mechanical properties: an in situ study

    Science.gov (United States)

    Sa, Yue; Wang, Zhejun; Ma, Xiao; Lei, Chang; Liang, Shanshan; Sun, Lili; Jiang, Tao; Wang, Yining

    2012-03-01

    The safety of at-home tooth bleaching, based upon carbamide peroxide (CP) or hydrogen peroxide (HP) as the active agent, has been questioned. The aim of the present study was to investigate the effects of three differently concentrated home-applied bleaching agents on human enamel under in situ conditions. Sixty specimens were divided randomly into four groups and treated with 10% CP, 15% CP, 20% CP, and distilled water, respectively. Raman spectroscopy, attenuated total reflectance-infrared (ATR-IR) spectroscopy, atomic force microscopy (AFM), microhardness, and fracture toughness (FT) measurements were conducted to determine variations on enamel structure and mechanical properties before and after the bleaching process. Raman revealed little variation of Raman relative intensity after treatment with CP, which was consistent with the results of ATR-IR, AFM, and microhardness analyses. In addition, laser-induced fluorescence (LIF) intensity, and FT showed significant decreases on CP-treated specimens. These findings suggested there were minimal demineralization effects of the three at-home bleaching agents on enamel in situ. However, the decrease of LIF intensity and FT on enamel seemed to be inevitable.

  18. Crystallographic and electronic structure of the Ca2TiMnO6 double perovskite

    International Nuclear Information System (INIS)

    López, J.P. Garzón; Cardona, R.; Santos, A. Sarmiento; Téllez, D.A. Landínez; Roa-Rojas, J.

    2014-01-01

    In this work, we report synthesis and crystalline structure study of the Ca 2 TiMnO 6 complex perovskite, by X-ray diffraction experiments and through the application of the Rietveld refinement using the GSAS code. Results revealed the crystallization of the system in a tetragonal perovskite with the characteristic structure given by I4/m (#87) space group and lattice parameters a=5.339(4) Å and c=7.736(6) Å. Ab initio calculations of density of states (DOS) and electronic structure were carried out for this perovskite-like system, by the Density Functional Theory (DFT) and using the Full-potential Linearized Augmented Plane Waves (FP-LAPW) method. The exchange-correlation potential was treated using the Generalized Gradient Approximation (GGA). All calculations were carried-out using spin polarization. For the up spin orientation the compound has a semiconducting behavior and for down spin polarization it behaves like a conductor. The calculated effective magnetic moment in cell was 4.02 μ B , which is close to the expected value calculated from Hund's rules

  19. Fabrication and measurement of a 10x scale model of a double-sided planar mm-wave linac cavity structure

    International Nuclear Information System (INIS)

    Kang, Y.W.; Matthews, P.; Nassiri, A.; Kustom, R.L.

    1994-01-01

    A double-sided planar mm-wave linear accelerating cavity, structure has been investigated. An 80-cell constant impedance structure working with 2π/3-mode traveling wave was chosen as an accelerator section. A 10x scale model of the structure has been fabricated and the basic electrical performances have been tested. The nodal shift measurement technique with a rectangular detuning plunger was used to measure the phase advance between the cells with a vector network analyzer

  20. A comparison between diuretics and angiotensin-receptor blocker agents in patients with stage I hypertension (PREVER-treatment trial: study protocol for a randomized double-blind controlled trial

    Directory of Open Access Journals (Sweden)

    Figueiredo Neto José A

    2011-02-01

    Full Text Available Abstract Background Cardiovascular disease is the leading cause of death in Brazil, and hypertension is its major risk factor. The benefit of its drug treatment to prevent major cardiovascular events was consistently demonstrated. Angiotensin-receptor blockers (ARB have been the preferential drugs in the management of hypertension worldwide, despite the absence of any consistent evidence of advantage over older agents, and the concern that they may be associated with lower renal protection and risk for cancer. Diuretics are as efficacious as other agents, are well tolerated, have longer duration of action and low cost, but have been scarcely compared with ARBs. A study comparing diuretic and ARB is therefore warranted. Methods/design This is a randomized, double-blind, clinical trial, comparing the association of chlorthalidone and amiloride with losartan as first drug option in patients aged 30 to 70 years, with stage I hypertension. The primary outcomes will be variation of blood pressure by time, adverse events and development or worsening of microalbuminuria and of left ventricular hypertrophy in the EKG. The secondary outcomes will be fatal or non-fatal cardiovascular events: myocardial infarction, stroke, heart failure, evidence of new subclinical atherosclerosis and sudden death. The study will last 18 months. The sample size will be of 1200 participants for group in order to confer enough power to test for all primary outcomes. The project was approved by the Ethics committee of each participating institution. Discussion The putative pleiotropic effects of ARB agents, particularly renal protection, have been disputed, and they have been scarcely compared with diuretics in large clinical trials, despite that they have been at least as efficacious as newer agents in managing hypertension. Even if the null hypothesis is not rejected, the information will be useful for health care policy to treat hypertension in Brazil. Clinical trials

  1. Nonlinear properties of double and triple barrier resonant tunneling structures in the sub-THz range

    International Nuclear Information System (INIS)

    Karuzskij, A.L.; Perestoronin, A.V.; Volchkov, N.A.

    2012-01-01

    The high-frequency nonlinear properties of GaAs/AlAs resonant tunneling diode (RTD) nanostructures and perspectives of implementation of the quantum regime of amplification in such structures, which is especially efficient in the range of sub-THz and THz ranges, are investigated. It is shown that in a triple barrier RTD the symmetry between the processes of amplification and dissipation can be avoided because of the interaction of an electromagnetic wave with both of resonant states in two quantum wells, that results in the significant growth of an RTD efficiency [ru

  2. Double taxation conventions, structure and evolution of the american tax system

    OpenAIRE

    Dumiter Florin; Berlingher Daniel; Opret Anca; Todor Silvia

    2016-01-01

    This article is intended as a retrospective survey of the comprehensiveness of the tax system, in the broad sense, and the US tax system, in a stricter sense, in terms of structuring model and application of tax levies, as well as the taxation applied to each public financial income category. The topic chosen is based on the idea that the US tax system is different from the European system, while also considering that the USA is the world leader in business, trade and investment, and seen as ...

  3. Effect of capping agents: Structural, optical and biological properties of ZnO nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Javed, Rabia [Department of Biotechnology, Faculty of Biological Sciences, Quaid-i-Azam University, Islamabad 45320 (Pakistan); Usman, Muhammad, E-mail: uk_phy@yahoo.com [Department of Physics, Faculty of Natural Sciences, Quaid-i-Azam University, Islamabad 45320 (Pakistan); Department of Physics, School of Science and Engineering, Lahore University of Management Sciences, Lahore 54729 (Pakistan); Tabassum, Saira; Zia, Muhammad [Department of Biotechnology, Faculty of Biological Sciences, Quaid-i-Azam University, Islamabad 45320 (Pakistan)

    2016-11-15

    Highlights: • ZnO nanoparticles have been effectively capped with polyethylene glycol (PEG) and polyvinyl pyrrolidone (PVP) shown by the data of XRD, FTIR and UV–visible spectroscopy. • Reduction in size occurred from 34 nm to 26 nm due to capping agent and band gap energy increases with the decrease in the particle size. • Antibacterial activity against Gram-positive bacteria is greater than the Gram-negative bacteria. • All biological assays reveal highest activities in capped ZnO nanoparticles as compared to the uncapped ZnO nanoparticles. • Highest antibacterial activity has been exhibited by ZnO-PVP while highest antioxidant and antidiabetic activities have been conferred by ZnO- PEG. - Abstract: Different biological activities of capped and uncapped ZnO nanoparticles were investigated, and the effects of potential capping agents on these biological activities were studied. ZnO nanoparticles were synthesized and capped by polyethylene glycol (PEG) and polyvinyl pyrrolidone (PVP) using a simple chemical method of co-precipitation. Characterization by X-ray diffraction (XRD), Fourier transform Infrared spectroscopy (FTIR) and UV–vis spectroscopy confirmed the crystallinity, size, functional group, and band gap of synthesized nanoparticles. Reduction in size occurred from 34 nm to 26 nm due to surfactant. Results of all biological activities indicated significantly higher values in capped as compared to uncapped nanoparticles. Antibacterial activity against Staphylococcus aureus (ATCC 6538), Bacillus subtilis (ATCC 6633), Escherichia coli (ATCC15224), and Acetobacter was obtained. This activity was more prominent against Gram-positive bacteria, and ZnO-PVP nanoparticles elucidated highest antibacterial activity (zone of inhibition 17 mm) against Gram-positive, Bacillus subtilis species. Antioxidant activities including total flavonoid content, total phenolic content, total antioxidant capacity, total reducing power and %age inhibition of DPPH, and

  4. Randomized, double-blind, placebo-controlled, proof-of-concept study of the cortical spreading depression inhibiting agent tonabersat in migraine prophylaxis

    DEFF Research Database (Denmark)

    Goadsby, P J; Ferrari, M D; Csanyi, A

    2009-01-01

    Tonabersat is a novel putative migraine prophylactic agent with an unique stereospecific binding site in the brain. Tonabersat has been shown, in animal models, to inhibit experimentally induced cortical spreading depression, the likely underlying mechanism for migraine aura, and cerebrovascular...... the placebo (n = 65) and tonabersat (n = 58) groups. At the primary end-point there was a 1.0-day (95% confidence interval -0.33, 2.39; P = 0.14) difference in reduction in migraine days between tonabersat and placebo. There were 10 secondary efficacy end-points, of which two were statistically significant...

  5. Structural snapshots of concerted double E-H bond activation at a transition metal centre

    Science.gov (United States)

    Abdalla, Joseph A. B.; Caise, Alexa; Sindlinger, Christian P.; Tirfoin, Rémi; Thompson, Amber L.; Edwards, Alison J.; Aldridge, Simon

    2017-12-01

    Bond activation at a transition metal centre is a key fundamental step in numerous chemical transformations. The oxidative addition of element-hydrogen bonds, for example, represents a critical step in a range of widely applied catalytic processes. Despite this, experimental studies defining steps along the bond activation pathway are very rare. In this work, we report on fundamental studies defining a new oxidative activation pathway: combined experimental and computational approaches yield structural snapshots of the simultaneous activation of both bonds of a β-diketiminate-stabilized GaH2 unit at a single metal centre. Systematic variation of the supporting phosphine ligands and single crystal X-ray/neutron diffraction are exploited in tandem to allow structural visualization of the activation process, from a η2-H,H σ-complex showing little Ga-H bond activation, through species of intermediate geometry featuring stretched Ga-H and compressed M-H/M-Ga bonds, to a fully activated metal dihydride featuring a neutral (carbene-type) N-heterocyclic GaI ligand.

  6. Detection of Ammonia-Oxidizing Bacteria (AOB) Using a Porous Silicon Optical Biosensor Based on a Multilayered Double Bragg Mirror Structure.

    Science.gov (United States)

    Zhang, Hongyan; Lv, Jie; Jia, Zhenhong

    2018-01-01

    We successfully demonstrate a porous silicon (PS) double Bragg mirror by electrochemical etching at room temperature as a deoxyribonucleic acid (DNA) label-free biosensor for detecting ammonia-oxidizing bacteria (AOB). Compared to various other one-dimension photonic crystal configurations of PS, the double Bragg mirror structure is quite easy to prepare and exhibits interesting optical properties. The width of high reflectivity stop band of the PS double Bragg mirror is about 761 nm with a sharp and deep resonance peak at 1328 nm in the reflectance spectrum, which gives a high sensitivity and distinguishability for sensing performance. The detection sensitivity of such a double Bragg mirror structure is illustrated through the investigation of AOB DNA hybridization in the PS pores. The redshifts of the reflectance spectra show a good linear relationship with both complete complementary and partial complementary DNA. The lowest detection limit for complete complementary DNA is 27.1 nM and the detection limit of the biosensor for partial complementary DNA is 35.0 nM, which provides the feasibility and effectiveness for the detection of AOB in a real environment. The PS double Bragg mirror structure is attractive for widespread biosensing applications and provides great potential for the development of optical applications.

  7. Phase III double-blind evaluation of an aloe vera gel as a prophylactic agent for radiation-induced skin toxicity

    International Nuclear Information System (INIS)

    Williams, Maureen S.; Burk, Mary; Loprinzi, Charles L.; Hill, Mary; Schomberg, Paula J.; Nearhood, Kim; O'Fallon, Judith R.; Laurie, John A.; Shanahan, Thomas G.; Moore, Randy L.; Urias, Rodolfo E.; Kuske, Robert R.; Engel, Roland E.; Eggleston, William D.

    1996-01-01

    Purpose: Considerable pilot data and clinical experience suggested that an aloe vera gel might help to prevent radiation therapy-induced dermatitis. Methods and Materials: Two Phase III randomized trials were conducted. The first one was double blinded, utilized a placebo gel, and involved 194 women receiving breast or chest wall irradiation. The second trial randomized 108 such patients to aloe vera gel vs. no treatment. Skin dermatitis was scored weekly during both trials both by patients and by health care providers. Results: Skin dermatitis scores were virtually identical on both treatment arms during both of the trials. The only toxicity from the gel was rare contact dermatitis. Conclusions: This dose and schedule of an aloe vera gel does not protect against radiation therapy-induced dermatitis

  8. Computer-Aided Structure Based Drug Design Approaches for the Discovery of New Anti-CHIKV Agents.

    Science.gov (United States)

    Jadav, Surender Singh; Sinha, Barij Nayan; Hilgenfeld, Rolf; Jayaprakash, Venkatesan

    2017-11-10

    Chikungunya is a viral infection caused by Chikungunya virus (CHIKV), an arbovirus transmitted through mosquito (Aedes aegypti and Aedes albopictus) bite. The virus from sylvatic cycle in Africa mutated to new vector adaptation and became one of the major emerging and re-emerging viral infections in the past decade, affecting more than 40 countries. Efforts are being made by many researches to develop means to prevent and control the infection through vaccines and vector control strategy. On the other hand, search for novel chemotherapeutic agents for the treatment of infected patients is on. Approach of repurposed drug is one way of identifying an existing drug for the treatment of CHIKV infection. Review the history of CHIKV nsp2 protease inhibitors derived through structure-based computer-aided drug design along with phytochemicals identified as anti-CHIKV agents. A survey on CHIKV inhibitors reported till date has been carriedout. The data obtained were organized and discussed under natural substances and synthetic derivatives obtained as result of rational design. The review provides a well organized content in chronological order that has highly significant information for medicinal chemist who wish to explore the area of Anti-CHIKV drug design and development. Natural compounds with different scaffolds provides an opportunity to explore Ligand based drug design (LBDD), while rational drug design approaches provides opportunity to explore the Structure based drug design. From the presented mini-review, readers can understand that this area is less explored and has lots of potential in anti-CHIKVviral drug design & development. of reported literature inferred that, unlike other viral proteases, the nsP2 protease can be targeted for CHIKV viral inhibition. The HTVS process for the identification of anti-CHIK agents provided a few successive validated lead compounds against CHIKV infections. Copyright© Bentham Science Publishers; For any queries, please email

  9. Crystal and magnetic structure of the double perovskite Sr2CoUO6: a neutron diffraction study.

    Science.gov (United States)

    Pinacca, R; Viola, M C; Pedregosa, J C; Muñoz, A; Alonso, J A; Martínez, J L; Carbonio, R E

    2005-02-07

    Sr2CoUO6 double perovskite has been prepared as a polycrystalline powder by solid-state reaction, in air. This material has been studied by X-ray, neutron powder diffraction (NPD) and magnetic measurements. At room temperature, the crystal structure is monoclinic, space group P2(1)/n, Z= 2, with a= 5.7916(2), b= 5.8034(2), c= 8.1790(3) A, beta= 90.1455(6)degrees. The perovskite lattice consists of a completely ordered array of CoO6 and UO6 octahedra, which exhibit an average tilting angle phi= 11.4 degrees. Magnetic and neutron diffraction measurements indicate an antiferromagnetic ordering below TN = 10 K. The low-temperature magnetic structure was determined by NPD, selected among the possible magnetic solutions compatible with the P2(1)/n space group, according with the group theory representation. The propagation vector is k= 0. A canted antiferromagnetic structure is observed below TN = 10 K, which remains stable down to 3 K, with an ordered magnetic moment of 2.44(7)mu(B) for Co2+ cations. The magnetic moment calculated from the Curie-Weiss law at high temperatures (5.22 mu(B)/f.u.) indicates that the orbital contribution is unquenched at high temperatures, which is consistent with high-spin Co2+((4)T(1g) ground state) in a quasi-regular octahedral environment. Magnetic and structural features are consistent with an electronic configuration Co2+[3d(7)]-U6+[Rn].

  10. Competence and Career. A Double Career Structure and Reduced Recognition in Aging Institutions

    Directory of Open Access Journals (Sweden)

    Sylvia Kade

    2008-01-01

    Full Text Available The occupation is a relationship of appropriation, which is only realized in relationships of recognition between organization and work. The organization includes its members by a mutual exchange of benefits, which is referred to as a relationship of recognition. The basic rule of the mutuality of relationships of recognition is called into question in knowledge-based organizations of "aging institutions." The limited reciprocity of the "closed opportunity structure" is the result of an institutional reduplication of a career policy under the pressure of innovations. A response to this is a change of individual career strategies. The article focuses on the consequences for the development of careers and competencies. URN: urn:nbn:de:0114-fqs0801592

  11. Double-Exposure Optical Sectioning Structured Illumination Microscopy Based on Hilbert Transform Reconstruction

    Science.gov (United States)

    Zhou, Xing; Lei, Ming; Dan, Dan; Yao, Baoli; Qian, Jia; Yan, Shaohui; Yang, Yanlong; Min, Junwei; Peng, Tong; Ye, Tong; Chen, Guangde

    2015-01-01

    Structured illumination microscopy (SIM) with axially optical sectioning capability has found widespread applications in three-dimensional live cell imaging in recent years, since it combines high sensitivity, short image acquisition time, and high spatial resolution. To obtain one sectioned slice, three raw images with a fixed phase-shift, normally 2π/3, are generally required. In this paper, we report a data processing algorithm based on the one-dimensional Hilbert transform, which needs only two raw images with arbitrary phase-shift for each single slice. The proposed algorithm is different from the previous two-dimensional Hilbert spiral transform algorithm in theory. The presented algorithm has the advantages of simpler data processing procedure, faster computation speed and better reconstructed image quality. The validity of the scheme is verified by imaging biological samples in our developed DMD-based LED-illumination SIM system. PMID:25799234

  12. Influence of Process Control Agent on Characterization and Structure of Micron Chitosan Powders Prepared by Ball Milling Method

    Directory of Open Access Journals (Sweden)

    ZHANG Chuan-jie

    2016-12-01

    Full Text Available With ethyl alcohol or distilled water as process control agent (PCA, micron chitosan powder was prepared by ball milling method. The yield rate, particle size distribution, micro morphology, viscosity average molecular mass, chemical and crystal structures, and thermal properties of these different micron chitosan powders were measured. The results indicate that the yield rate of micron chitosan powders prepared with ethyl alcohol as PCA increases significantly, and improves to 94.7% from 25% while the amount of ethyl alcohol is 0.75mL/g. The particle size distribution of micron chitosan powder prepared with ethyl alcohol as PCA is concentrated, while the D50 and D90 in size are 824nm and 1629nm respectively. Chitosan do not react with ethyl alcohol used as PCA, but the viscosity average molecular mass of prepared micron chitosan powder decreases by 23%, the crystal structures are destroyed slightly, and its thermal stability is slightly weakened.

  13. Influence of ion pairing in ionic liquids on electrical double layer structures and surface force using classical density functional approach.

    Science.gov (United States)

    Ma, Ke; Forsman, Jan; Woodward, Clifford E

    2015-05-07

    We explore the influence of ion pairing in room temperature ionic liquids confined by planar electrode surfaces. Using a coarse-grained model for the aromatic ionic liquid [C4MIM(+)][BF4 (-)], we account for an ion pairing component as an equilibrium associating species within a classical density functional theory. We investigated the resulting structure of the electrical double layer as well as the ensuing surface forces and differential capacitance, as a function of the degree of ion association. We found that the short-range structure adjacent to surfaces was remarkably unaffected by the degree of ion pairing, up to several molecular diameters. This was even the case for 100% of ions being paired. The physical implications of ion pairing only become apparent in equilibrium properties that depend upon the long-range screening of charges, such as the asymptotic behaviour of surface forces and the differential capacitance, especially at low surface potential. The effect of ion pairing on capacitance is consistent with their invocation as a source of the anomalous temperature dependence of the latter. This work shows that ion pairing effects on equilibrium properties are subtle and may be difficult to extract directly from simulations.

  14. Radiation synthesis and characterisation of the network structure of natural/synthetic double-network superabsorbent polymers

    Science.gov (United States)

    Şen, Murat; Hayrabolulu, Hande

    2012-09-01

    In this study radiation synthesis and characterisation of the network structure of acrylic acid sodium salt/locust bean gum, (AAcNa/LBG) natural/synthetic double-network super absorbent polymers were investigated. Quartet systems composed of acrylic acid sodium salt/locust bean gum/N,N methylene bis acrylamide/water (AAcNa/LBG/MBAAm/water) were prepared at varying degree of neutralisations (DN) by controlling the DN value of AAc and irradiated with gamma rays at ambient temperature at a very low dose rate. The influences of the DN on the swelling and network properties were examined. It was observed that the DN strongly affected the gelation and super absorption properties of the gels. Molecular weight between crosslinks (M), effective crosslink density (νe) and mesh size (ξ) of SAPs were calculated from swelling and shear modules data obtained from compression and oscillatory frequency sweep tests. M values obtained from the uniaxial deformation experiments were very close to those obtained from the oscillatory shear experiments excluding the completely neutralised gel system. It was concluded that the uniaxial compression technique could be used for the characterisation of the network structure of a hydrogel as along with the rheological analyses; however, a very precise control of the gel size was also needed.

  15. Structure of electric double layers in capacitive systems and to what extent (classical) density functional theory describes it

    Science.gov (United States)

    Härtel, Andreas

    2017-10-01

    Ongoing scientific interest is aimed at the properties and structure of electric double layers (EDLs), which are crucial for capacitive energy storage, water treatment, and energy harvesting technologies like supercapacitors, desalination devices, blue engines, and thermocapacitive heat-to-current converters. A promising tool to describe their physics on a microscopic level is (classical) density functional theory (DFT), which can be applied in order to analyze pair correlations and charge ordering in the primitive model of charged hard spheres. This simple model captures the main properties of ionic liquids and solutions and it predicts many of the phenomena that occur in EDLs. The latter often lead to anomalous response in the differential capacitance of EDLs. This work constructively reviews the powerful theoretical framework of DFT and its recent developments regarding the description of EDLs. It explains to what extent current approaches in DFT describe structural ordering and in-plane transitions in EDLs, which occur when the corresponding electrodes are charged. Further, the review briefly summarizes the history of modeling EDLs, presents applications, and points out limitations and strengths in present theoretical approaches. It concludes that DFT as a sophisticated microscopic theory for ionic systems is expecting a challenging but promising future in both fundamental research and applications in supercapacitive technologies.

  16. The etiological structure, biological properties of causative agents of peri-implant mucositis

    Directory of Open Access Journals (Sweden)

    M. O. Faustova

    2017-10-01

    Full Text Available The purpose was to examine the peri-implant mucositis microflora and sensitivity of dominant pathogens to antibiotics and antiseptics. Materials and methods. The study involved 43 patients with peri-implant mucositis. During the study 162 clinical strains of microorganisms were isolated and identified. Cultivation of clinical isolates was performed by the standard method, final identification was carried out with using bacteriological automatic analyzer Vitec – 2compact bioMérieux (France. Determination of sensitivity to antibiotics of pathogens was carried with disc-diffusion method; the study of sensitivity to antiseptics was carried by means of double serial dilutions method by the standard procedure approved by the Order № 167 of the Ministry of Public Health of Ukraine on “On Approval of Training Guidance “Assessment of the sensitivity of microorganisms to antibiotics”, dated by April, 5, 2007. Results. It is The microflora of peri-implant area of patients with mucositis was revealed to consist of opportunistic species. Representatives of Streptococcus spp. and Staphylococcus spp. were dominating among them, although Kocuria spp., Enterobacter spp. and yeast-like fungi Candida spp. were detected quite common. Investigated clinical strains of microorganisms had different sensitivity to antibiotics. All cultures were sensitive to fluoroquinolones, but very significant number of them showed resistance to penicillins, macrolides and lincosamides. In turn, horosten, dekasan and chlorhexidine had powerful antimicrobial effect on dominant pathogens of periimplant mucositis in patients. Moreover, the effect of decametoxine-based antiseptics on some of them significantly exceeded the activity of chlorhexidine. Conclusions. Microflora from peri-implant area of patients with peri-implant mucositis consists mainly of aerobic and facultative anaerobic microorganisms, belonging to normal oral microflora. Most of pathogens of mucositis obtaine

  17. Extended structure design with simple molybdenum oxide building blocks and urea as a directing agent.

    Science.gov (United States)

    Veen, Sandra J; Roy, Soumyajit; Filinchuk, Yaroslav; Chernyshov, Dmitry; Petukhov, Andrei V; Versluijs-Helder, Marjan; Broersma, Alfred; Soulimani, Fouad; Visser, Tom; Kegel, Willem K

    2008-08-04

    We report here a simple one-pot directed synthesis of an oxomolybdate urea composite in which elementary molybdenum oxide building blocks are linked together with the aid of urea. This type of directed material design resulted in large rod-like crystals of an inorganic-organic hybrid extended structure of {MoO 3(NH 2-CO-NH 2)} infinity consisting of right- and left-handed helical units. In the crystal structure urea acts both as a glue that links the inorganic molybdenum units into a helix and as a supramolecular linker for the stabilization of the crystal structure as a whole. This type of molecular topology resulted in an unexpectedly high thermal stability.

  18. International countertrade arrangements and their legal structure: Double edge sword or future of the modern trade

    Directory of Open Access Journals (Sweden)

    Milenković-Kerković Tamara

    2011-01-01

    Full Text Available The experiences and the practice of many countries show that countertrade could be used as the significant method for incensement of the export as well as for the promotion of the foreign investments even in the period of deep financial crises. Contemporary governments' pro-active countertrade orientation in USA, Israel, Sweden, Norway, Japan and other developed countries highlights the inadequacy of the obsolete and stereotypical concept of the countertrade as the compensation transaction based on the 'trade without money' concept. Besides this, the practices proved that countertrade transactions are the consequence and the indicator of economic shocks. Therefore, the study of the special legal issues that may arise in countertrade transactions will be very important not only for the domestic legal doctrine but also for the commercial practice. As national laws do not contain provisions specific for countertrade, it is of particular importance to analyze legal question such as structuring and drafting of countertrade arrangements as well as to study the question of the legal nature of the contractual link between legal instruments which form multicontractual mechanism of countertrade transactions. The character of the legal connection among the legal instruments in countertrade arrangement, as well as the legal nature of the countertrade commitment, strongly influence the countertrade agreement's legal nature. The economic reality of a group of contracts joined by the common goal of the transaction (consideration and the countertrade commitment has to be followed by the legal reality which will recognize the legal interdependence of the obligation deriving from the legally independent countertrade arrangement.

  19. A new chromogenic agent for iron(III): Synthesis, structure and ...

    Indian Academy of Sciences (India)

    Administrator

    upon metal ion binding without use of any spectro- scopic instrument. 10–14. Chemosensors not only pos- sess simplicity and high sensitivity, but are capable of specific recognition of particular ions in presence ... For spectroscopic measurements HPLC grade sol- vents were used. 2.3 X-ray structure determination of. [Ni.

  20. Two ways to solve, using Lie group analysis, the fundamental valuation equation in the double-square-root model of the term structure

    Science.gov (United States)

    Sinkala, W.

    2011-01-01

    Two approaches based on Lie group analysis are employed to obtain the closed-form solution of a partial differential equation derived by Francis A. Longstaff [J Financial Econom 1989;23:195-224] for the price of a discount bond in the double-square-root model of the term structure.

  1. The Designated Convergence Rate Problems of Consensus or Flocking of Double-Integrator Agents With General Nonequal Velocity and Position Couplings: Further Results and Patterns of Convergence Rate Contours.

    Science.gov (United States)

    Li, Wei

    2017-05-01

    This paper considers the designated convergence rate (DCR) (or the designated convergence margin) problems of consensus or flocking of coupled double-integrator agents. The DCR problems are more valuable for systems design than just convergence or stability conditions. The system setting in this paper is general, i.e., the velocity coupling and position coupling (VCPC) between agents, respectively, are set to be general and nonequal (up to rescaling), together with distinct damping and stiffness gains for the VCPC, respectively. This paper has two primary contributions on consensus: 1) further necessary and sufficient conditions are established to guarantee the DCR problems of the system, which have enriched the previous results and 2) the patterns of the convergence rate contours for the DCR are characterized, in terms of the damping and stiffness gains, which are closely related to the characteristics of the spectra of the two Laplacian matrices of the VCPC. Additionally, this paper has a contribution on matrix theory, i.e., the sufficient conditions for the simultaneous upper-triangularization of two independent Laplacian matrices, particularly from an easily verifiable topological perspective on the corresponding digraphs of these Laplacian matrices.

  2. Protonated ions as systemic trapping agents for noble gases: From electronic structure to radiative association

    Science.gov (United States)

    Ozgurel, O.; Pauzat, F.; Pilmé, J.; Ellinger, Y.; Bacchus-Montabonel, M.-C.; Mousis, O.

    2017-10-01

    The deficiencies of argon, krypton, and xenon observed in the atmosphere of Titan as well as anticipated in some comets might be related to a scenario of sequestration by H3+ in the gas phase at the early evolution of the solar nebula. The chemical process implied is a radiative association, evaluated as rather efficient in the case of H3+, especially for krypton and xenon. This mechanism of chemical trapping might not be limited to H3+ only, considering that the protonated ions produced in the destruction of H3+ by its main competitors present in the primitive nebula, i.e., H2O, CO, and N2, might also give stable complexes with the noble gases. However the effective efficiency of such processes is still to be proven. Here, the reactivity of the noble gases Ar, Kr, and Xe, with all protonated ions issued from H2O, CO, and N2, expected to be present in the nebula with reasonably high abundances, has been studied with quantum simulation method dynamics included. All of them give stable complexes and the rate coefficients of their radiative associations range from 10-16 to 10-19 cm3 s-1, which is reasonable for such reactions and has to be compared to the rates of 10-16 to 10-18 cm3 s-1, obtained with H3+. We can consider this process as universal for all protonated ions which, if present in the primitive nebula as astrophysical models predict, should act as sequestration agents for all three noble gases with increasing efficiency from Ar to Xe.

  3. Ice as a Green-Structure-Directing Agent in the Synthesis of Macroporous MWCNTs and Chondroitin Sulphate Composites

    Science.gov (United States)

    Nardecchia, Stefania; Serrano, María Concepción; García-Argüelles, Sara; Maia Da Costa, Marcelo E. H.; Ferrer, María Luisa; Gutiérrez, María C.

    2017-01-01

    The incorporation of multi-walled carbon nanotubes (MWCNTs) into chondroitin sulphate-based scaffolds and the effect on the structural, mechanical, conductive, and thermal properties of the resulting scaffolds is investigated. Three-dimensional hierarchical materials are prepared upon the application of the ice segregation-induced self-assembly (ISISA) process. The use of ice as structure-directing agents avoids chemicals typically used for this purpose (e.g., surfactants, block copolymers, etc.), hence, emphasising the green features of this soft-templating approach. We determine the critical parameters that control the morphology of the scaffolds formed upon ice-templating (i.e., MWCNTs type, freezing conditions, polymer and MWCNT concentration). MWCNTs are surface functionalized by acidic treatment. MWCNT functionalization is characterized by Raman, Fourier transfer infrared (FTIR) and X-ray Photoelectron (XPS) spectroscopies. Scanning electron microscopy (SEM) analysis and porosity studies reveal that MWCNT content modifies the morphology of the macroporous structure, which decreases by increasing MWCNT concentration. Differences in scaffold morphology should be translated into their conductivity and mechanical properties. As a general trend, the Young’s modulus and the electrical conductivity of the scaffolds increase with the MWCNT content. Preliminary biocompatibility tests with human osteoblast-like cells also reveal the capability of these structures to support cell growth. PMID:28772715

  4. Structure of fumarate hydratase from Rickettsia prowazekii, the agent of typhus and suspected relative of the mitochondria

    International Nuclear Information System (INIS)

    Phan, Isabelle; Subramanian, Sandhya; Olsen, Christian; Edwards, Thomas E.; Guo, Wenjin; Zhang, Yang; Van Voorhis, Wesley C.; Stewart, Lance J.; Myler, Peter J.

    2011-01-01

    Fumarate hydratase is an enzyme of the tricarboxylic acid cycle, one of the metabolic pathways characteristic of the mitochondria. The structure of R. prowazekii class II fumarate hydratase is reported at 2.4 Å resolution and is compared with the available structure of the human homolog. Rickettsiae are obligate intracellular parasites of eukaryotic cells that are the causative agents responsible for spotted fever and typhus. Their small genome (about 800 protein-coding genes) is highly conserved across species and has been postulated as the ancestor of the mitochondria. No genes that are required for glycolysis are found in the Rickettsia prowazekii or mitochondrial genomes, but a complete set of genes encoding components of the tricarboxylic acid cycle and the respiratory-chain complex is found in both. A 2.4 Å resolution crystal structure of R. prowazekii fumarate hydratase, an enzyme catalyzing the third step of the tricarboxylic acid cycle pathway that ultimately converts phosphoenolpyruvate into succinyl-CoA, has been solved. A structure alignment with human mitochondrial fumarate hydratase highlights the close similarity between R. prowazekii and mitochondrial enzymes

  5. Hydrothermal synthesis of one-dimensional tungsten oxide nanostructures using cobalt ammonium sulfate as a structure-directing agent

    International Nuclear Information System (INIS)

    Rajagopal, Shanmugasundaram; Lee, Hae-Min; Kim, Chang-Koo; Lee, Kangtaek

    2013-01-01

    Hydrothermal synthesis of one-dimensional tungsten oxide nanostructures was performed using cobalt ammonium sulfate as a structure-directing agent, and the effect of the concentration of cobalt ammonium sulfate on the characteristics of the tungsten oxide nanostructures was investigated. XRD measurements showed that hexagonal tungsten oxide (h-WO 3 ) structures were obtained at a higher concentration of cobalt ammonium sulfate (0.2 M), while cubic tungsten oxide (c-WO 3 ) structures were obtained at a lower concentration of cobalt ammonium sulfate (0.01M). Mixed structures of h-WO 3 and c-WO 3 were observed at an intermediate concentration of cobalt ammonium sulfate. Morphological studies revealed that h-WO 3 appeared as nanowires with a diameter of about 40 nm and an average length of 1 µm. c-WO 3 was shaped in pillar-like nanorods with a diameter of about 30 nm. A red-shift in the UV/Vis absorption peak was observed with different phases of tungsten oxide nanostructures

  6. Synthesis, molecular modeling and structural characterization of vanillin derivatives as antimicrobial agents

    Science.gov (United States)

    Sun, Juan; Yin, Yong; Sheng, Gui-Hua; Yang, Zhi-Bo; Zhu, Hai-Liang

    2013-05-01

    Two vanillin derivatives have been designed and synthesized and their biological activities were also evaluated for antimicrobial activity. Their chemical structures are characterized by single crystal X-ray diffraction studies, 1H NMR, MS, and elemental analysis. Structural stabilization of them followed by intramolecular as well as intermolecular H-bonds makes these molecules as perfect examples in molecular recognition with self-complementary donor and acceptor units within a single molecule. Docking simulations have been performed to position compounds into the FtsZ active site to determine their probable binding model. Compound 3a shows the most potent biological activity, which may be a promising antimicrobial leading compound for the further research.

  7. Synthesis of CID-cleavable protein crosslinking agents containing quaternary amines for structural mass spectrometry.

    Science.gov (United States)

    Hagen, Susan E; Liu, Kun; Jin, Yafei; Piersimoni, Lolita; Andrews, Philip C; Showalter, Hollis D

    2018-03-14

    Two novel cyclic quaternary amine crosslinking probes are synthesized for structural mass spectrometry of protein complexes in solution and for analysis of protein interactions in organellar and whole cell extracts. Each exhibits high aqueous solubility, excellent protein crosslinking efficiencies, low collision induced dissociation (CID) energy fragmentation efficiencies, high stoichiometries of reaction, increased charges of crosslinked peptide ions, and maintenance of overall surface charge balance of crosslinked proteins.

  8. STUDY OF DOUBLE PROTONS MIGRATION MECHANISM IN SUPRAMOLECULAR STRUCTURES OF ACETIC ACID-WATER AND ACETIC ACID-AMMONIA BY AB INITIO METHOD

    Directory of Open Access Journals (Sweden)

    Karna Wijaya

    2010-06-01

    Full Text Available The theoretical study of double protons migration mechanism on acetic acid-water and acetic acid-ammonia associations has been carried out. The research covered determinations the reactant, transition state and product structures. To gain the goal, the research was conducted in three steps, i.e. (i designing the reactant, transition state and product models, (ii optimizing of structures, and (iii calculating of their uncorrected total energy and frequencies with ab initio methods (basis set 6-31G**. All calculations were performed using Hyperchem ver 5.0 for Windows and Gaussian 94W package program. The computational study result showed that the calculated structures were in good agreement with the hypothetical structures.   Keywords: double protons migration, acetic acid, water, ammonia, molecular mechanics and ab-initio

  9. Anisometric C60 Fullerene Colloids Assisted by Structure-Directing Agent

    Energy Technology Data Exchange (ETDEWEB)

    Penterman, S. [Cornell Univ., Ithaca, NY (United States); Liddell Watson, Chekesha M. [Cornell Univ., Ithaca, NY (United States); Escobedo, Fernando A. [Cornell Univ., Ithaca, NY (United States); Cohen, Itai [Cornell Univ., Ithaca, NY (United States)

    2016-08-05

    Colloidal synthesis and assembly provide low cost, large area routes to mesoscale structures. In particular, shape-anisotropic particles may form crystalline, plastic crystalline, complex liquid crystalline and glassy phases. Arrangements in each order class have been used to generate photonic materials. For example, large photonic band gaps have been found for photonic crystals, hyperuniform photonic glasses, and also for plastic crystals at sufficient refractive index contrast. The latter structures support highly isotropic bandgaps that are desirable for free-form waveguides and LED out-coupling. Photonic glasses with optical gain lead to self-tuned lasing by the superposition of multiply scattered light. Typically, extrinsic media such as organic dyes, rare earths, lanthanides and quantum dots are used to impart optical gain in photonic solids. The present work advances fullerene microcrystals as a new materials platform for ‘active’ light emitting in colloid-based photonic crystals. Fullerenes support singlet excited states that recombine to produce a characteristic red photoluminescence. C60 also has a high refractive index (n ~ 2.2) and transparency (> 560 nm)9 so that inverse structures are not required.

  10. Fengabine, a new GABAmimetic agent in the treatment of depressive disorders: an overview of six double-blind studies versus tricyclics.

    Science.gov (United States)

    Magni, G; Garreau, M; Orofiamma, B; Palminteri, R

    1989-01-01

    Fengabine is a new GABAmimetic compound active in animal models predictive of antidepressant activity. The present overview reports the results of 6 double-blind trials versus tricyclics (TCAs) (3 in outpatients and 3 in inpatients). Overall, 398 adult patients (149 males and 249 females) were treated; 194 with fengabine and 204 with TCAs (98 clomipramine, 63 amitriptyline and 43 imipramine). 284 suffered from major depression (MD) (including major depressive disorder and bipolar disorder, depressed; DSM III) and 114 from minor depression (MiD) including dysthymic disorder, atypical depression and adjustment disorder with depressive mood (DSM III). Dosage ranged from 600 to 2,400 mg/day for fengabine and 50 to 200 mg/day for TCAs. Efficacy was evaluated with the HAM-D scale. 311 subjects (154 fengabine and 157 TCAs) ended the 4-week treatment period. Considering the whole sample and mean IAM-D scores, no significant differences emerged between the 2 treatment groups at any of the assessment periods. Because of a significant treatment x type of depression interaction, MD and MiD were analysed separately, and a different trend appeared in the 2 subgroups with TCAs behaving slightly better than fengabine in MD and fengabine performing slightly better than TCAs in MiD. Using the physician's clinical improvement, 74% of patients under fengabine and 72% of those under TCAs were rated as improved or much improved. Side effects, particularly of the anticholinergic type were significantly more frequent in the TCAs group. Gamma-GT were more frequently altered in the fengabine group (30.4 vs. 10.5%); this increase was interpreted as a consequence of enzymatic induction. Lastly, more patients taking fengabine exhibited an increase in cholesterol values.

  11. Comparative evaluation of dexmedetomidine and midazolam-ketamine combination as sedative agents in pediatric dentistry: A double-blinded randomized controlled trial.

    Science.gov (United States)

    Malhotra, Parul Uppal; Thakur, Seema; Singhal, Parul; Chauhan, Deepak; Jayam, Cheranjeevi; Sood, Ritu; Malhotra, Yagyeshwar

    2016-01-01

    Pharmacological methods have been used as an adjunct to enhance child cooperativeness and facilitate dental treatment. Purpose of this study was to evaluate and compare the effect of sedation by intranasal dexmedetomidine and oral combination drug midazolam-ketamine in a group of children with uncooperative behavior requiring dental treatment. This was a prospective, randomized, double-blind study that included patients 3-9 years old with American Society of Anesthesiologists-I status. About 36 children presenting early childhood caries were randomly assigned to one of three groups studied: Group MK received intranasal saline and oral midazolam (0.5 mg/kg) with ketamine (5 mg/kg) mixed in mango juice; Group DX received intranasal dexmedetomidine (1 μg/kg) and oral mango juice; and Group C received intranasal saline and oral mango juice. Patients' heart rate, blood pressure, and oxygen saturation were recorded before, during, and at the end of the procedure. Patients' behavior, sedation status, and wake up behavior were evaluated with modified observer assessment of alertness and sedation scale. Ease of treatment completion was evaluated according to Houpt scale. Hemodynamic changes were statistically insignificant in Group MK and Group DX. About 75% patients in Group MK were successfully sedated as compared to 53.9% Group DX and none of the patients in Group C. Ease of treatment completion was better with Group MK as compared to Group DX and least with Group C. Around 50% patients in Group MK had postoperative complications. Oral midazolam-ketamine combination and intranasal dexmedetomidine evaluated in the present study can be used safely and effectively in uncooperative pediatric dental patients for producing conscious sedation.

  12. Comparative evaluation of dexmedetomidine and midazolam-ketamine combination as sedative agents in pediatric dentistry: A double-blinded randomized controlled trial

    Directory of Open Access Journals (Sweden)

    Parul Uppal Malhotra

    2016-01-01

    Full Text Available Background: Pharmacological methods have been used as an adjunct to enhance child cooperativeness and facilitate dental treatment. Objective: Purpose of this study was to evaluate and compare the effect of sedation by intranasal dexmedetomidine and oral combination drug midazolam–ketamine in a group of children with uncooperative behavior requiring dental treatment. Materials and Methods: This was a prospective, randomized, double-blind study that included patients 3–9 years old with American Society of Anesthesiologists-I status. About 36 children presenting early childhood caries were randomly assigned to one of three groups studied: Group MK received intranasal saline and oral midazolam (0.5 mg/kg with ketamine (5 mg/kg mixed in mango juice; Group DX received intranasal dexmedetomidine (1 μg/kg and oral mango juice; and Group C received intranasal saline and oral mango juice. Patients' heart rate, blood pressure, and oxygen saturation were recorded before, during, and at the end of the procedure. Patients' behavior, sedation status, and wake up behavior were evaluated with modified observer assessment of alertness and sedation scale. Ease of treatment completion was evaluated according to Houpt scale. Results: Hemodynamic changes were statistically insignificant in Group MK and Group DX. About 75% patients in Group MK were successfully sedated as compared to 53.9% Group DX and none of the patients in Group C. Ease of treatment completion was better with Group MK as compared to Group DX and least with Group C. Around 50% patients in Group MK had postoperative complications. Conclusion: Oral midazolam–ketamine combination and intranasal dexmedetomidine evaluated in the present study can be used safely and effectively in uncooperative pediatric dental patients for producing conscious sedation.

  13. Methods of Optimisation of the Structure of the Dealing Bank with a Limited Base of Counter-Agents

    Directory of Open Access Journals (Sweden)

    Novak Sergіy M.

    2013-11-01

    Full Text Available The article considers methods of assessment of optimal parameters of the dealing bank service with a limited base of counter-agents. The methods are based on the mathematical model of micro-structure of the inter-bank currency market. The key parameters of the infrastructure of the dealing service within the framework of the model are: number of authorised traders, contingent of counter-agents, quotation policy, main parameters of the currency market – spread and volatility of quotations and the resulting indicators of efficiency of the dealing service – profit and probability of breakeven operation. The methods allow identification of optimal parameters of the infrastructure of the dealing bank service based on indicators of dynamics of currency risks and market environment of the bank. On the basis of the developed mathematical model the article develops methods of planning calculations of parameters of the infrastructure of the dealing bank service, which are required for ensuring a necessary level of efficiency with set parameters of the currency market. Application of the said methods gives a possibility to assess indicators of operation of the bank’s front office depending on its scale.

  14. Structural Differentiation between Layered Single (Ni) and Double Metal Hydroxides (Ni–Al LDHs) Using Wavelet Transformation

    Energy Technology Data Exchange (ETDEWEB)

    Siebecker, Matthew G. [University of Delaware, Delaware Environmental Institute; Sparks, Donald L. [University of Delaware, Delaware Environmental Institute

    2017-09-07

    Layered double hydroxides (LDHs) are anionic clays important in disciplines such as environmental chemistry, geochemistry, and materials science. Developments in signal processing of extended X-ray absorption fine structure (EXAFS) data, such as wavelet transformation (WT), have been used to identify transition metals and Al present in the hydroxide sheets of LDHs. The WT plots of LDHs should be distinct from those of isostructural single metal hydroxides. However, no direct comparison of these minerals appears in the literature using WT. This work systematically analyzes a suite of Ni-rich mineral standards, including Ni–Al LDHs, single metal Ni hydroxides, and Ni-rich silicates using WT. The results illustrate that the WT plots for α-Ni(OH)2 and Ni–Al LDHs are often indistinguishable from each other, with similar two-component plots for the different mineral types. This demonstrates that the WT of the first metal shell often cannot be used to differentiate an LDH from a single metal hydroxide. Interlayer anions adsorbed to the hydroxide sheet of α-Ni(OH)2 affect the EXAFS spectra and are not visible in the FT but are clearly resolved and discrete in the WT.

  15. Synthesis and structure elucidation of fluoro substituted guanidines as potential therapeutic agents

    Science.gov (United States)

    Ullah, Waseem; Imtiaz-ud-Din; Raheel, Ahmad; Badshah, Amin; Tahir, Muhammad Nawaz

    2017-09-01

    Six new fluoro -substituted guanidines (1-6) were synthesized and characterized by 1H and 13C NMR spectroscopy to ascertain the structures in solution (DMSO) besides the solid state information collected through FT IR and single crystal X-ray spectroscopy. The XRD data for (1-3) show that molecules are stabilized by strong intramolecular hydrogen bonding. The compounds were also preliminary bio-assayed for anti-microbial studies and show good to moderate activities. The anti-oxidant data revealed that o and p-substituted fluoro-guanidines enhances their DPPH scavenging ability significantly.

  16. Regular variation of the fine structure of statistical distributions as a consequence of cosmophysical agents

    International Nuclear Information System (INIS)

    Shnoll, S E; Zenchenko, T A; Zenchenko, K I; Pozharskii, E V; Kolombet, V A; Konradov, Alexander A

    2000-01-01

    Considered is the statistical ground of the certainty of cosmophysical effects on the fine structure of distributions governing the results of measurements in various physical processes. We show that the previously discussed effects of synchronous variations of histogram shapes in independent processes, and the periodical occurrence of histograms of a particular shape, do not depend on the form of the integral distribution. The adequacy of visual (expert) estimation when comparing the shapes of histograms as an alternative to the standard statistical methods is justified. (letters to the editors)

  17. Influence of foaming agents on both the structure and the thermal conductivity of silicate glasses

    DEFF Research Database (Denmark)

    Østergaard, Martin Bonderup; Petersen, Rasmus Rosenlund; König, Jakob

    Foam glass is one of the most promising insulation materials for constructions since it has low thermal conductivity, high compressive strength, non-water permeability, and high fire resistance. They can be produced using cullet sources, e.g., cathode ray tubes (CRT) panel glass, and foaming agen......, and thereby their thermal conductivity can be influenced. The crystallinity of the samples is determined by means of X-ray diffraction. The change of the glass structure can be indirectly reflected by Tg change which is measured using a differential scanning calorimeter....

  18. 2-Pyridyl thiazoles as novel anti-Trypanosoma cruzi agents: structural design, synthesis and pharmacological evaluation.

    Science.gov (United States)

    Cardoso, Marcos Veríssimo de Oliveira; de Siqueira, Lucianna Rabelo Pessoa; da Silva, Elany Barbosa; Costa, Lívia Bandeira; Hernandes, Marcelo Zaldini; Rabello, Marcelo Montenegro; Ferreira, Rafaela Salgado; da Cruz, Luana Faria; Moreira, Diogo Rodrigo Magalhães; Pereira, Valéria Rêgo Alves; de Castro, Maria Carolina Accioly Brelaz; Bernhardt, Paul V; Leite, Ana Cristina Lima

    2014-10-30

    The present work reports on the synthesis, anti-Trypanosoma cruzi activities and docking studies of a novel series of 2-(pyridin-2-yl)-1,3-thiazoles derived from 2-pyridine thiosemicarbazone. The majority of these compounds are potent cruzain inhibitors and showed excellent inhibition on the trypomastigote form of the parasite, and the resulting structure-activity relationships are discussed. Together, these data present a novel series of thiazolyl hydrazones with potential effects against Chagas disease and they could be important leads in continuing development against Chagas disease. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  19. Numerical modeling and experimental validation of the acoustic transmission of aircraft's double-wall structures including sound package

    Science.gov (United States)

    Rhazi, Dilal

    In the field of aeronautics, reducing the harmful effects of acoustics constitutes a major concern at the international level and justifies the call for further research, particularly in Canada where aeronautics is a key economic sector, which operates in a context of global competition. Aircraft sidewall structure is usually of a double wall construction with a curved ribbed metallic skin and a lightweight composite or sandwich trim separated by a cavity filled with a noise control treatment. The latter is of a great importance in the transport industry, and continues to be of interest in many engineering applications. However, the insertion loss noise control treatment depends on the excitation of the supporting structure. In particular, Turbulent Boundary Layer is of interest to several industries. This excitation is difficult to simulate in laboratory conditions, given the prohibiting costs and difficulties associated with wind tunnel and in-flight tests. Numerical simulation is the only practical way to predict the response to such excitations and to analyze effects of design changes to the response to such excitation. Another kinds of excitations encountered in industrial are monopole, rain on the Roof and diffuse acoustic field. Deterministic methods can calculate in each point the spectral response of the system. Most known are numerical methods such as finite elements and boundary elements methods. These methods generally apply to the low frequency where modal behavior of the structure dominates. However, the high limit of calculation in frequency of these methods cannot be defined in a strict way because it is related to the capacity of data processing and to the nature of the studied mechanical system. With these challenges in mind, and with limitations of the main numerical codes on the market, the manufacturers have expressed the need for simple models immediately available as early as the stage of preliminary drafts. This thesis represents an attempt

  20. Flavonoids as Vasorelaxant Agents: Synthesis, Biological Evaluation and Quantitative Structure Activities Relationship (QSAR Studies

    Directory of Open Access Journals (Sweden)

    Yongzhou Hu

    2011-09-01

    Full Text Available A series of 2-(2-diethylamino-ethoxychalcone and 6-prenyl(or its isomers-flavanones 10a,b and 11a–g were synthesized and evaluated for their vasorelaxant activities against rat aorta rings pretreated with 1 μM phenylephrine (PE. Several compounds showed potent vasorelaxant activities. Compound 10a (EC50 = 7.6 μM, Emax = 93.1%, the most potent one, would be a promising structural template for development of novel and more efficient vasodilators. Further, 2D-QSAR analysis of compounds 10a,b and 11c-e as well as thirty previously synthesized flavonoids 1-3 and 12-38 using Enhanced Replacement Method-Multiple Linear Regression (ERM-MLR was further performed based on an optimal set of molecular descriptors (H5m, SIC2, DISPe, Mor03u and L3m, leading to a reliable model with good predictive ability (Rtrain2 = 0.839, Qloo2 = 0.733 and Rtest2 = 0.804. The results provide good insights into the structure- activity relationships of the target compounds.

  1. Structural characterization of antibiotic self-immunity tRNA synthetase in plant tumour biocontrol agent.

    Science.gov (United States)

    Chopra, Shaileja; Palencia, Andrés; Virus, Cornelia; Schulwitz, Sarah; Temple, Brenda R; Cusack, Stephen; Reader, John

    2016-10-07

    Antibiotic-producing microbes evolved self-resistance mechanisms to avoid suicide. The biocontrol Agrobacterium radiobacter K84 secretes the Trojan Horse antibiotic agrocin 84 that is selectively transported into the plant pathogen A. tumefaciens and processed into the toxin TM84. We previously showed that TM84 employs a unique tRNA-dependent mechanism to inhibit leucyl-tRNA synthetase (LeuRS), while the TM84-producer prevents self-poisoning by expressing a resistant LeuRS AgnB2. We now identify a mechanism by which the antibiotic-producing microbe resists its own toxin. Using a combination of structural, biochemical and biophysical approaches, we show that AgnB2 evolved structural changes so as to resist the antibiotic by eliminating the tRNA-dependence of TM84 binding. Mutagenesis of key resistance determinants results in mutants adopting an antibiotic-sensitive phenotype. This study illuminates the evolution of resistance in self-immunity genes and provides mechanistic insights into a fascinating tRNA-dependent antibiotic with applications for the development of anti-infectives and the prevention of biocontrol emasculation.

  2. Study on structure, mechanical property and cell cytocompatibility of electrospun collagen nanofibers crosslinked by common agents.

    Science.gov (United States)

    Luo, Xueshi; Guo, Zhenzhao; He, Ping; Chen, Tian; Li, Lihua; Ding, Shan; Li, Hong

    2018-01-29

    Collagen electrospun scaffolds properly reproduce the framework of the extracellular matrix (ECM) of tissues that are natural with the fibrous morphology of the protein by coupling large biomimetism of the biological material. However, traditional solvents employed for collagen electrospinning lead to poor mechanical attributes and bad hydro-stability. In this work, by N-(3-dimethylaminopropyl)-N'-ethylcarbodiimide hydrochloride with N-hydroxysulfosuccinimide (EDC-NHS), glutaraldehyde (GTA) and genipin (GP) respectively, electrospun collagen fibers cross-linked, effectively stabilized the fiber morphology over 2 months and improved the mechanical properties in both dry and wet state, especially EDC-NHS with large ultimate tensile stress and ε b . The secondary structure of collagen structure still remained and had no obvious difference among various crosslinked samples according to FTIR. On the cell assessment, electrospun collagen fibers crosslinked by EDC-NHS, GTA and GP, were found to support cell adhesion, spreading and proliferation of MC3T3-E1. By contrast, GTA was more effective in preserving explicit fibrous morphology with a relatively lower cell viability both in FBS and BSA soaked mats. Interestingly, GP also had the similar cytocompatibility of MC3T3-E1 as EDC-NHS did. The study proved the feasibility of chemical crosslinker to electrospun collagen for biomedical application. Copyright © 2017. Published by Elsevier B.V.

  3. Diacylhydrazone-assembled {Ln11} nanoclusters featuring a "double-boats conformation" topology: synthesis, structures and magnetism.

    Science.gov (United States)

    Wang, Kai; Chen, Zi-Lu; Zou, Hua-Hong; Zhang, Shu-Hua; Li, Yan; Zhang, Xiu-Qing; Sun, Wei-Yin; Liang, Fu-Pei

    2018-02-13

    A family of novel Ln nanoclusters, namely, [Ln 11 (ovpho) 4 (μ-CH 3 O) 2 (μ-H 2 O) 2 (μ 3 -OH) 6 (CH 3 OH) 4 (H 2 O) 2 (NO 3 ) 8 ](OH)·xH 2 O·yCH 3 OH [Ln = Gd (1), x = 1, y = 3; Ln = Tb (2), x = 1, y = 3; Ln = Dy (3), x = 0, y = 3], was obtained via solvothermal reactions of Ln(NO 3 ) 3 with a diacylhydrazone ligand N,N'-bis(o-vanillidene)pyridine-2,6-dicarbohydrazide N-oxide (H 4 ovpho). Their isostructural molecular structures are composed of two crystallographically symmetric {Ln 6 } rings sharing a Ln 3+ ion, and display an unprecedented "double boat conformation" topology that, to our knowledge, has not yet been reported. O phenol , O enol and O oxynitride from ovpho 4- ligands, as well as O methanol , O water and O hydroxyl help to bridge the Ln 3+ ions. The structural variation between these {Ln 11 } clusters and a previously reported {Gd 18 } nanowheel, both of which are assembled by H 4 ovpho under the same synthetic method and reaction conditions, is caused only by changing the anions of Ln salts. Magnetic investigations revealed a large magnetocaloric effect (MCE) of 1, whose maximum -ΔS m value reaches 30.1 J kg -1 K -1 for ΔH = 50 kOe at 2.0 K. Additionally, it was found that 3 shows single-molecule magnets (SMMs) behavior, with an approximated energy barrier U eff = 6.13 K and pre-exponential factor τ 0 = 1.70 × 10 -6 s.

  4. La2MnVO6 Double Perovskite: A Structural, Magnetic and X-Ray Absorption Investigation

    International Nuclear Information System (INIS)

    Mandal, T.; Croft, M.; Hadermann, J.; Van Tendeloo, G.; Stephens, P.; Greenblatt, M.

    2009-01-01

    The synthesis, electron diffraction (ED), synchrotron X-ray and neutron structure, X-ray absorption spectroscopy (XAS) and magnetic property studies of La2MnVO6 double perovskite are described. Analysis of the synchrotron powder X-ray diffraction data for La2MnVO6 indicates a disordered arrangement of Mn and V at the B-site of the perovskite structure. Absence of super-lattice reflections in the ED patterns for La2MnVO6 supports the disordered cation arrangement. Room temperature time-of-flight (TOF) neutron powder diffraction (NPD) data show no evidence of cation ordering, in corroboration with the ED and synchrotron studies (orthorhombic Pnma, a = 5.6097(3), b = 7.8837(5) and c = 5.5668(3); 295 K, NPD). A comparison of XAS analyses of La2TVO6 with T = Ni and Co shows T2+ formal oxidation state while the T = Mn material evidences a Mn3+ admixture into a dominantly Mn2+ ground state. V-K edge measurements manifest a mirror image behavior with a V4+ state for T = Ni and Co with a V3+ admixture arising in the T = Mn material. The magnetic susceptibility data for La2MnVO6 show ferromagnetic correlations; the observed effective moment, μeff (5.72 μB) is much smaller than the calculated moment (6.16 μμB) based on the spin-only formula for Mn2+ (d5, HS)/V4+ (d1), supportive of the partly oxidized Mn and reduced V scenario (Mn3+/V3+).

  5. Structural, morphological and electrical properties of Sn-substituted Ni-Zn ferrites synthesized by double sintering technique

    Energy Technology Data Exchange (ETDEWEB)

    Ali, M.A. [Department of Physics, Chittagong University of Engineering and Technology (CUET), Chittagong 4349 (Bangladesh); Uddin, M.M., E-mail: mohi@cuet.ac.bd [Department of Physics, Chittagong University of Engineering and Technology (CUET), Chittagong 4349 (Bangladesh); Khan, M.N.I. [Materials Science Division, Atomic Energy Center, Dhaka 1000 (Bangladesh); Chowdhury, F.U.-Z. [Department of Physics, Chittagong University of Engineering and Technology (CUET), Chittagong 4349 (Bangladesh); Haque, S.M. [Materials Science Division, Atomic Energy Center, Dhaka 1000 (Bangladesh)

    2017-02-15

    The Sn-substituted Ni-Zn ferrites, (0.0≤x≤0.30), have been synthesized by the standard double sintering technique from the oxide nanopowders of Ni, Zn, Fe and Sn. The structural and electrical properties have been investigated by the X-ray diffraction (XRD), scanning electron microscopy (SEM), DC resistivity and dielectric measurements. From XRD data, the single cubic spinel phase has been confirmed for x≤0.1, whereas for x>0.1 an extra intermediate phase has been detected along with the cubic spinel phase of Ni-Zn ferrite. The grain size is increased due to Sn substitution in Ni-Zn ferrites. DC resistivity as a function of temperature has been measured by two probe method. The semiconducting nature has been found operative in the samples. The DC resistivity was found to decrease whilst the dielectric constant increased with increasing Sn content in Ni-Zn ferrites. The unusual behavior of the dielectric loss factor of the ferrites was explained by the Rezlescu model. The electrical relaxation of the ferrites has been studied in terms of electric modulus formalism and the time for dielectric relaxation was calculated. The contribution of grain resistance has been studied from the Cole-Cole plot. The suitability to use the as prepared samples in the miniaturized memory devices based capacitive components or energy storage principles are confirmed from the values of dielectric constant. - Highlights: • Sn-substituted Ni-Zn ferrites with cubic spinel structure have been synthesized. • a{sub th} is calculated and well compared with a{sub expt}. • Dielectric unusual behavior has been successfully explained by the Rezlescu model. • Long τ (ns) is determined, can be utilized for memory and spintronics devices.

  6. Radiation synthesis and characterisation of the network structure of natural/synthetic double-network superabsorbent polymers

    International Nuclear Information System (INIS)

    Şen, Murat; Hayrabolulu, Hande

    2012-01-01

    In this study radiation synthesis and characterisation of the network structure of acrylic acid sodium salt/locust bean gum, (AAcNa/LBG) natural/synthetic double-network super absorbent polymers were investigated. Quartet systems composed of acrylic acid sodium salt/locust bean gum/N,N methylene bis acrylamide/water (AAcNa/LBG/MBAAm/water) were prepared at varying degree of neutralisations (DN) by controlling the DN value of AAc and irradiated with gamma rays at ambient temperature at a very low dose rate. The influences of the DN on the swelling and network properties were examined. It was observed that the DN strongly affected the gelation and super absorption properties of the gels. Molecular weight between crosslinks (M ¯ c ), effective crosslink density (ν e ) and mesh size (ξ) of SAPs were calculated from swelling and shear modules data obtained from compression and oscillatory frequency sweep tests. M ¯ c values obtained from the uniaxial deformation experiments were very close to those obtained from the oscillatory shear experiments excluding the completely neutralised gel system. It was concluded that the uniaxial compression technique could be used for the characterisation of the network structure of a hydrogel as along with the rheological analyses; however, a very precise control of the gel size was also needed. - Highlights: ► Radiation synthesis and characterisation of AAcNa/LBG super absorbent polymers described. ► Influences of the DN on the swelling and network properties were examined. ► Molecular weight between crosslinks and effective crosslink density of SAPs were calculated. ► Suitability of rheology technique for the characterisation of hydrogels were demonstrated.

  7. Type I antiferromagnetic order in Ba2LuReO6: Exploring the role of structural distortions in double perovskites containing 5d2 ions

    Science.gov (United States)

    Xiong, Jie; Yan, Jiaqiang; Aczel, Adam A.; Woodward, Patrick M.

    2018-02-01

    The structural, electrical, and magnetic properties of the double perovskite Ba2LuReO6 have been examined. It is an insulator whose temperature dependent conductivity is consistent with variable range hopping electrical transport. A transition to an antiferromagnet state with type I order occurs below TN = 31 K. High resolution time-of-flight neutron powder diffraction measurements show that it retains the cubic double perovskite structure down to 10 K. High intensity, low resolution neutron powder diffraction measurements confirm the antiferromagnetic order and indicate that cubic symmetry is still observed at 1.5 K. The small ordered moment of 0.34(4)μB per Re is comparable to estimates of moments on 5d2 ions in other antiferromagnetically ordered cubic double perovskites. Comparisons with related double perovskites containing 5d2 ions, such as Os6+ and Re5+, reveal that subtle changes in structure or electron configuration of the diamagnetic octahedral cations can have a large impact on the magnetic ground state, the size of the ordered moment, and the Néel temperature.

  8. Semisynthesis and quantitative structure-activity relationship (QSAR) study of some cholesterol-based hydrazone derivatives as insecticidal agents.

    Science.gov (United States)

    Yang, Chun; Shao, Yonghua; Zhi, Xiaoyan; Huan, Qu; Yu, Xiang; Yao, Xiaojun; Xu, Hui

    2013-09-01

    In continuation of our program aimed at the discovery and development of natural-product-based insecticidal agents, four series of novel cholesterol-based hydrazone derivatives were synthesized, and their insecticidal activity was tested against the pre-third-instar larvae of oriental armyworm, Mythimna separata (Walker) in vivo at 1mg/mL. All the derivatives showed the better insecticidal activity than their precursor cholesterol. Quantitative structure-activity relationship (QSAR) model demonstrated that six descriptors such as RDF085v, Mor06u, Mor11u, Dv, HATS0v and H-046, are likely to influence the insecticidal activity of these compounds. Among them, two important ones are the Mor06u and RDF085v. Copyright © 2013 Elsevier Ltd. All rights reserved.

  9. Antineoplastic agents. 398. Isolation and structure elucidation of cephalostatins 18 and 19.

    Science.gov (United States)

    Pettit, G R; Tan, R; Xu, J; Ichihara, Y; Williams, M D; Boyd, M R

    1998-07-01

    Continued investigation of murine leukemia (P-388) active fractions from the African marine worm Cephalodiscus gilchristi has resulted in the discovery of cephalostatins 18 (1b) and 19 (1c). The structures were determined by interpretation of their highfield (500 MHz) 1H, 13C, and 2D NMR and HRMS. Both of these new methoxy steroidal alkaloids exhibited strong activity against the murine P-388 lymphocytic leukemia cell line (ED50 ca. 10(-3) microg/mL), a mini panel of human cancer cell lines (GI50 <10(-3) microg/mL), and the U.S. National Cancer Institute's 60 human cancer cell line panel (mean panel GI50 ca. 10(-9) M).

  10. Synthesis, evaluation and quantitative structure-activity relationship (QSAR) analysis of Wogonin derivatives as cytotoxic agents.

    Science.gov (United States)

    Bian, Jinlei; Li, Tinghan; Weng, Tianwei; Wang, Jubo; Chen, Yu; Li, Zhiyu

    2017-02-15

    A novel series of 49 wogonin derivatives were synthesized by introducing group at 7-, 8- or B ring of wogonin. The cytotoxic activities against HepG2, A549 and BCG-823 cancer cell lines were also investigated in vitro. Several of them showed obvious cytotoxic activities and compound 3h possessed the highest potency against HepG2, A549, and BCG-823 with IC 50 values of 1.07μM, 1.74μM and 0.98μM, respectively. A quantitative structure-activity relationship (QSAR) study of these synthetic derivatives as well as wogonin indicated that high solubility and low octanol/water partition coefficient are favorable, and excessive electrostatic properties and refractivity are unfavorable for the cytotoxic activities of these wogonin derivatives. These findings and results provide a base for further investigations. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Polysaccharides As Viscosupplementation Agents: Structural Molecular Characteristics but Not Rheology Appear Crucial to the Therapeutic Response

    Directory of Open Access Journals (Sweden)

    Rita C. Machado

    2017-06-01

    Full Text Available IntroductionMost clinical studies and basic research document viscosupplementation (VS in terms of effectiveness and safety, but only a few highlight its molecular mechanisms of action. Besides, there is generally focus on hyaluronic acid (HA as being the most relevant polysaccharide to reach the clinical endpoints, attributing its effect mainly to its unique viscoelastic properties, related to a high-molecular weight and gel formulation. Usually, studies do not approach the possible biological pathways where HA may interfere, and there is a lack of reports on other biocompatible polysaccharides that could be of use in VS.AimWe briefly review the main proposed mechanisms of action of intra-articular hyaluronic acid (IA-HA treatment and discuss its effectiveness focusing on the role of rheological and intrinsic structural molecular properties of polysaccharides in providing a therapeutic effect.MethodsWe conducted a literature search using PubMed database to find articles dealing with the mechanisms of action of IA-HA treatment and/or emphasizing how the structural properties of the polysaccharide used influenced the clinical outcomes.Discussion/conclusionHA is involved in numerous biochemical interactions that may explain the clinical benefits of VS, most of them resulting from HA–cluster of differentiation 44 receptor interaction. There are other important aspects apart from the molecular size or the colloidal state of the IA-HA involved in VS efficiency that still need to be consolidated. Indeed, it seems that clinical response may be dependent on the intrinsic properties of the polysaccharide, regardless of being HA, rather than to rheology, posing some controversy to previous beliefs.

  12. Synthesis of Zn–Fe layered double hydroxides via an oxidation process and structural analysis of products

    Energy Technology Data Exchange (ETDEWEB)

    Morimoto, Kazuya, E-mail: kazuya.morimoto@aist.go.jp [Institute for Geo-Resources and Environment, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba, Ibaraki 305-8567 (Japan); Tamura, Kenji [Environmental Remediation Materials Unit, National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan); Anraku, Sohtaro [Graduate School of Engineering, Hokkaido University, Kita 13 Nishi 8, Kita-ku, Sapporo 060-8628 (Japan); Sato, Tsutomu [Faculty of Engineering, Hokkaido University, Kita 13 Nishi 8, Kita-ku, Sapporo 060-8628 (Japan); Suzuki, Masaya [Institute for Geo-Resources and Environment, National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Higashi, Tsukuba, Ibaraki 305-8567 (Japan); Yamada, Hirohisa [Environmental Remediation Materials Unit, National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044 (Japan)

    2015-08-15

    The synthesis of Zn–Fe(III) layered double hydroxides was attempted, employing different pathways using either Fe(II) or Fe(III) species together with Zn as the initial reagents. The product derived from the synthesis employing Fe(II) was found to transition to a Zn–Fe(III) layered double hydroxides phase following oxidation process. In contrast, the product obtained with Fe(III) did not contain a layered double hydroxides phase, but rather consisted of simonkolleite and hydrous ferric oxide. It was determined that the valency of the Fe reagent used in the initial synthesis affected the generation of the layered double hydroxides phase. Fe(II) species have ionic radii and electronegativities similar to those of Zn, and therefore are more likely to form trioctahedral hydroxide layers with Zn species. - Graphical abstract: The synthesis of Zn–Fe(III) layered double hydroxides was attempted, employing different pathways using either Fe(II) or Fe(III) species together with Zn as the initial reagents. - Highlights: • Iron valency affected the generation of Zn–Fe layered double hydroxides. • Zn–Fe layered double hydroxides were successfully synthesized using Fe(II). • Fe(II) species were likely to form trioctahedral hydroxide layers with Zn species.

  13. Symmetry and Non-empirical Calculations of Structure and Properties of Single- and Double-Wall SrTiO3 Nanotubes

    Science.gov (United States)

    Evarestov, R. A.; Bandura, A. V.

    A large-scale first-principles simulation of the structure and stability of SrTiO3 single- and double-wall nanotubes with different chiralities has been performed for the first time using the periodic PBE0 LCAO method. The initial structures of nanotubes have been obtained by rolling up slabs consisting of two and four alternating (001) SrO and TiO2 planes. In the majority of the considered cases the inner or outer TiO2 shells of 4-layer nanotubes undergo a considerable reconstruction due to shrinkage or stretching of interatomic distances. Double-wall nanotubes constructed from 2-layer single-wall nanotubes with the intertube distance less than 4.5-5.0 Å merge to stable polyhedron-shaped tubular objects consisting of blocks with a distorted cubic perovskite structure.

  14. FUNDAMENTAL AREAS OF PHENOMENOLOGY (INCLUDING APPLICATIONS): Linear Analysis of Folded Double-Ridged Waveguide Slow-Wave Structure for Millimeter Wave Traveling Wave Tube

    Science.gov (United States)

    He, Jun; Wei, Yan-Yu; Gong, Yu-Bin; Wang, Wen-Xiang

    2009-11-01

    A novel slow-wave structure (SWS), the folded double-ridged waveguide structure, is presented and its linear gain properties are investigated. The perturbed dispersion equation is derived and the small signal growth rate is calculated for dimensions of the ridge-loaded region and the parameters of the electron beam. The novel structure has potential applications in the production of high power and broad band radiation. For a cold beam, the linear theory predicts a gain of 1.1-1.27 dB/period and a 3-dB small-signal gain bandwidth of 30% in W-band. A comparison between the folded double-ridged waveguide SWS and folded waveguide SWS (FWSWS) shows that with the same physical parameters, the novel SWS has an advantage over the FWSWS on the bandwidth and electron efficiency.

  15. Hepatitis delta antigen requires a flexible quasi-double-stranded RNA structure to bind and condense hepatitis delta virus RNA in a ribonucleoprotein complex.

    Science.gov (United States)

    Griffin, Brittany L; Chasovskikh, Sergey; Dritschilo, Anatoly; Casey, John L

    2014-07-01

    The circular genome and antigenome RNAs of hepatitis delta virus (HDV) form characteristic unbranched, quasi-double-stranded RNA secondary structures in which short double-stranded helical segments are interspersed with internal loops and bulges. The ribonucleoprotein complexes (RNPs) formed by these RNAs with the virus-encoded protein hepatitis delta antigen (HDAg) perform essential roles in the viral life cycle, including viral replication and virion formation. Little is understood about the formation and structure of these complexes and how they function in these key processes. Here, the specific RNA features required for HDAg binding and the topology of the complexes formed were investigated. Selective 2'OH acylation analyzed by primer extension (SHAPE) applied to free and HDAg-bound HDV RNAs indicated that the characteristic secondary structure of the RNA is preserved when bound to HDAg. Notably, the analysis indicated that predicted unpaired positions in the RNA remained dynamic in the RNP. Analysis of the in vitro binding activity of RNAs in which internal loops and bulges were mutated and of synthetically designed RNAs demonstrated that the distinctive secondary structure, not the primary RNA sequence, is the major determinant of HDAg RNA binding specificity. Atomic force microscopy analysis of RNPs formed in vitro revealed complexes in which the HDV RNA is substantially condensed by bending or wrapping. Our results support a model in which the internal loops and bulges in HDV RNA contribute flexibility to the quasi-double-stranded structure that allows RNA bending and condensing by HDAg. RNA-protein complexes (RNPs) formed by the hepatitis delta virus RNAs and protein, HDAg, perform critical roles in virus replication. Neither the structures of these RNPs nor the RNA features required to form them have been characterized. HDV RNA is unusual in that it forms an unbranched quasi-double-stranded structure in which short base-paired segments are interspersed

  16. Triptolide derivatives as potential multifunctional anti-Alzheimer agents: Synthesis and structure-activity relationship studies.

    Science.gov (United States)

    Ning, Chengqing; Mo, Liumei; Chen, Xuwei; Tu, Wentong; Wu, Jun; Hou, Shengtao; Xu, Jing

    2018-02-15

    Owning to the promising neuroprotective profile and the ability to cross the blood-brain barrier, triptolide has attracted extensive attention. Although its limited solubility and toxicity have greatly hindered clinical translation, triptolide has nonetheless emerged as a promising candidate for structure-activity relationship studies for Alzheimer's disease. In the present study, a series of triptolide analogs were designed and synthesized, and their neuroprotective and anti-neuroinflammatory effects were then tested using a cell culture model. Among the triptolide derivatives tested, a memantine conjugate, compound 8, showed a remarkable neuroprotective effect against Aβ 1-42 toxicity in primary cortical neuron cultures as well as an inhibitory effect against LPS-induced TNF-α production in BV2 cells at a subnanomolar concentration. Our findings provide insight into the different pharmacophores that are responsible for the multifunctional effects of triptolide in the central nervous system. Our study should help in the development of triptolide-based multifunctional anti-Alzheimer drugs. Copyright © 2018 Elsevier Ltd. All rights reserved.

  17. "Sexual" population structure and genetics of the malaria agent P. falciparum.

    Directory of Open Access Journals (Sweden)

    Themba Mzilahowa

    Full Text Available The population genetics and structure of P. falciparum determine the rate at which malaria evolves in response to interventions such as drugs and vaccines. This has been the source of considerable recent controversy, but here we demonstrate the organism to be essentially sexual, in an area of moderately high transmission in the Lower Shire Valley, Malawi. Seven thousand mosquitoes were collected and dissected, and genetic data were obtained on 190 oocysts from 56 infected midguts. The oocysts were genotyped at three microsatellite loci and the MSP1 locus. Selfing rate was estimated as 50% and there was significant genotypic linkage disequilibrium (LD in the pooled oocysts. A more appropriate analysis searching for genotypic LD in outcrossed oocysts and/or haplotypic LD in the selfed oocysts found no evidence for LD, indicating that the population was effectively sexual. Inbreeding estimates at MSP1 were higher than at the microsatellites, possibly indicative of immune action against MSP1, but the effect was confounded by the probable presence of null mutations. Mating appeared to occur at random in mosquitoes and evidence regarding whether malaria clones in the same host were related (presumably through simultaneous inoculation in the same mosquito bite was ambiguous. This is the most detailed genetic analysis yet of P. falciparum sexual stages, and shows P. falciparum to be a sexual organism whose genomes are in linkage equilibrium, which acts to slow the emergence of drug resistance and vaccine insensitivity, extending the likely useful therapeutic lifespan of drugs and vaccines.

  18. Study of the ketogenic agent AC-1202 in mild to moderate Alzheimer's disease: a randomized, double-blind, placebo-controlled, multicenter trial

    Directory of Open Access Journals (Sweden)

    Garvin Fiona

    2009-08-01

    Full Text Available Abstract Background Alzheimer's disease (AD is characterized by early and region-specific declines in cerebral glucose metabolism. Ketone bodies are produced by the body during glucose deprivation and are metabolized by the brain. An oral ketogenic compound, AC-1202, was tested in subjects with probable AD to examine if ketosis could improve cognitive performance. Methods Daily administration of AC-1202 was evaluated in 152 subjects diagnosed with mild to moderate AD in a US-based, 90-day, randomized, double-blind, placebo-controlled, parallel-group study. Subjects were on a normal diet and continued taking approved AD medications. Primary cognitive end points were mean change from Baseline in the AD Assessment Scale-Cognitive subscale (ADAS-Cog, and global scores in the AD Cooperative Study – Clinical Global Impression of Change (ADCS-CGIC. AC-1202 was compared to Placebo in several population groups, including: intention-to-treat (ITT, per protocol, and dosage compliant groups. Results were also stratified by APOE4 carriage status (a predefined analysis based on the epsilon 4 (E4 variant of the apolipoprotein E gene. This trial was registered with ClinicalTrials.gov, registry number NCT00142805, information available at http://clinicaltrials.gov/ct2/show/NCT00142805 Results AC-1202 significantly elevated a serum ketone body (β-hydroxybutyrate 2 hours after administration when compared to Placebo. In each of the population groups, a significant difference was found between AC-1202 and Placebo in mean change from Baseline in ADAS-Cog score on Day 45: 1.9 point difference, p = 0.0235 in ITT; 2.53 point difference, p = 0.0324 in per protocol; 2.6 point difference, p = 0.0215 in dosage compliant. Among participants who did not carry the APOE4 allele (E4(-, a significant difference was found between AC-1202 and Placebo in mean change from Baseline in ADAS-Cog score on Day 45 and Day 90. In the ITT population, E4(- participants (N = 55

  19. Development of corrosion sensors for monitoring steel-corroding agents in reinforced concrete structures

    Energy Technology Data Exchange (ETDEWEB)

    Lee, H.S. [Hanyang University, Department of Architectural Design, 1271, Sa-1 dong, Ansan-City, Kyunggi-do, 425-791 (Korea); Shin, S.W.; Ahn, J.M. [Hanyang University, STRESS, Department of Architecture Engineering, Sa-dong, Ansan-City, Kyunggi-do, 425-791 (Korea); Kim, Y.C.; Kho, Y.T. [Korea Gas Corporation R and D, Pipeline Research Center, 638-1, 2-Dong, Ansan-City, Kyunggi-Do, 425-150 (Korea)

    2003-04-01

    Corrosion sensors were devised to develop a system whereby the depth of chloride permeation from concrete surfaces can be monitored non-destructively on a real-time basis using such sensors embedded in cover concrete of reinforced concrete structures. The proposed corrosion sensors were subjected to accelerated corrosion in NaCl solutions, mortar specimens intrinsically containing chlorides, and mortar specimens impregnated with chloride solutions, while recording the changes in the resistance readings. The resistance of sensors increased as the degree of corrosion increased. The time to the first change in the resistance decreased and the corrosion degree and resistance increased as the chloride concentration increased and as the distance from mortar surfaces decreased. It was therefore confirmed that the corrosion sensors are capable of monitoring the depth of chloride permeation with sufficient accuracy. (Abstract Copyright [2003], Wiley Periodicals, Inc.) [German] Korrosionssensoren wurden entworfen, um ein System zu entwickeln, mit dem die Tiefe des Chlorideindringens von der Betonoberflaeche aus mittels solcher in die Betonueberdeckung von Stahlbetonbauwerken eingebauter Sensoren zerstoerungsfrei in Echtzeit ueberwacht werden kann. Die vorgeschlagenen Sensoren wurden einer beschleunigten Korrosion in NaCl-Loesungen, in Moertelproben mit eingemischten Chloriden und in Moertelproben mit externer Chloridbeaufschlagung unterzogen, wobei die Veraenderungen der Widerstandswerte aufgezeichnet wurden. Mit zunehmendem Grad an Korrosion stieg der Widerstand der Sensoren an. Mit steigender Chloridkonzentration und abnehmender Entfernung von der Moerteloberflaeche nahm die Zeit bis zur ersten Veraenderung des Widerstandes ab und der Korrosionsgrad und der Widerstand stiegen an. Es wurde damit bestaetigt, dass es mit den Korrosionssensoren moeglich ist, die Tiefe des Chlorideindringens mit ausreichender Genauigkeit zu ueberwachen. (Abstract Copyright [2003], Wiley

  20. The effect of process control agent on the structure and magnetic properties of nanocrystalline mechanically alloyed Fe–45% Ni powders

    International Nuclear Information System (INIS)

    Gheisari, Kh.; Javadpour, S.

    2013-01-01

    In this study, nanocrystalline Fe-45 wt% Ni alloy powders were prepared by mechanical alloying via high-energy ball milling. The effect of adding stearic acid as a process control agent (PCA) on the particle size, structure and magnetic properties of Fe-45 wt% Ni alloy powders have been studied by X-ray diffraction, scanning electron microscope and vibrating sample magnetometer measurements. The results show that the addition of 1 wt% PCA causes fine uniform spherical powder particles of the fcc γ-(Fe, Ni) phase to be formed after 48 h milling time. It is also found that crystallite size, lattice strain and content of γ-(Fe, Ni) phase are three of the most important variables that are significantly affected by PCA content and can influence the magnetic properties. - Highlights: • Different amount of stearic acid as a PCA was used during milling. • Particle size and crystallite size decrease with increasing PCA content. • The addition of 1 wt% PCA leads to a good combination of structure and magnetic properties

  1. Structural Studies on Acetylcholinesterase and Paraoxonase Directed Towards Development of Therapeutic Biomolecules for the Treatment of Degenerative Diseases and Protection Against Chemical Threat Agents

    Science.gov (United States)

    Sussman, Joel L.; Silman, Israel

    Acetylcholinesterase and paraoxonase are important targets for treatment of degenerative diseases, Alzheimer's disease and atherosclerosis, respectively, both of which impose major burdens on the health care systems in Western society. Acetylcholinesterase is the target of lethal nerve agents, and paraoxonase is under consideration as a bioscavenger for their detoxification. Both are thus the subject of research and development in the context of nerve agent toxicology. The crystal structures of the two enzymes are described, and structure/function relationships are discussed in the context of drug development and of development of means of protection against chemical threats.

  2. Surface topography acquisition method for double-sided near-right-angle structured surfaces based on dual-probe wavelength scanning interferometry.

    Science.gov (United States)

    Zhang, Tao; Gao, Feng; Jiang, Xiangqian

    2017-10-02

    This paper proposes an approach to measure double-sided near-right-angle structured surfaces based on dual-probe wavelength scanning interferometry (DPWSI). The principle and mathematical model is discussed and the measurement system is calibrated with a combination of standard step-height samples for both probes vertical calibrations and a specially designed calibration artefact for building up the space coordinate relationship of the dual-probe measurement system. The topography of the specially designed artefact is acquired by combining the measurement results with white light scanning interferometer (WLSI) and scanning electron microscope (SEM) for reference. The relative location of the two probes is then determined with 3D registration algorithm. Experimental validation of the approach is provided and the results show that the method is able to measure double-sided near-right-angle structured surfaces with nanometer vertical resolution and micrometer lateral resolution.

  3. All-Fiber Laser Curvature Sensor Using an In-Fiber Modal Interferometer Based on a Double Clad Fiber and a Multimode Fiber Structure

    Science.gov (United States)

    Durán-Sánchez, Manuel; Prieto-Cortés, Patricia; Salceda-Delgado, Guillermo; Castillo-Guzmán, Arturo A.; Selvas-Aguilar, Romeo; Ibarra-Escamilla, Baldemar; Kuzin, Evgeny A.

    2017-01-01

    An all-fiber curvature laser sensor by using a novel modal interference in-fiber structure is proposed and experimentally demonstrated. The in-fiber device, fabricated by fusion splicing of multimode fiber and double-clad fiber segments, is used as wavelength filter as well as the sensing element. By including a multimode fiber in an ordinary modal interference structure based on a double-clad fiber, the fringe visibility of the filter transmission spectrum is significantly increased. By using the modal interferometer as a curvature sensitive wavelength filter within a ring cavity erbium-doped fiber laser, the spectral quality factor Q is considerably increased. The results demonstrate the reliability of the proposed curvature laser sensor with advantages of robustness, ease of fabrication, low cost, repeatability on the fabrication process and simple operation. PMID:29182527

  4. Structural acceptance criteria for the evaulation of existing double-shell waste storage tanks located at the Hanford site, Richland, Washington

    International Nuclear Information System (INIS)

    Julyk, L.J.; Day, A.D.; Dyrness, A.D.; Moore, C.J.; Peterson, W.S.; Scott, M.A.; Shrivastava, H.P.; Sholman, J.S.; Watts, T.N.

    1995-09-01

    The structural acceptance criteria contained herein for the evaluation of existing underground double-shell waste storage tanks located at the Hanford Site is part of the Life Management/Aging Management Program of the Tank Waste Remediation System. The purpose of the overall life management program is to ensure that confinement of the waste is maintained over the required service life of the tanks. Characterization of the present condition of the tanks, understanding and characterization of potential degradation mechanisms, and development of tank structural acceptance criteria based on previous service and projected use are prerequisites to assessing tank integrity, to projecting the length of tank service, and to developing and applying prudent fixes or repairs. The criteria provided herein summarize the requirements for the analysis and structural qualification of the existing double-shell tanks for continued operation. Code reconciliation issues and material degradation under aging conditions are addressed. Although the criteria were developed for double-shell tanks, many of the provisions are equally applicable to single-shell tanks. However, the criteria do not apply to the evaluation of tank appurtenances and buried piping

  5. Field Monitoring of Deformations and Internal Forces of Surrounding Rocks and Lining Structures in the Construction of the Gangkou Double-Arched Tunnel—A Case Study

    Directory of Open Access Journals (Sweden)

    Qixiang Yan

    2017-02-01

    Full Text Available Double-arched tunnel is a special and complex underground structure which needs to be monitored carefully during construction. Taking the Gangkou tunnel as the engineering background, this paper presents a case study of field monitoring of a representative double-arched tunnel. Typical cross sections were chosen in each class of surrounding rock masses in the tunnel area and different types of sensors were embedded in designed locations, and the deformations and forces of both surrounding rocks and lining structures were monitored systematically. The dynamic evolution as well as the spatial distribution characteristics of the monitoring data including the internal displacements of surrounding rocks and the contact pressures between surrounding rocks and primary linings, the axial forces in rock bolts and the internal forces in both steel arches and secondary linings were analyzed. The monitoring and analysis results show that the deformations and forces of both surrounding rocks and lining structures are directly related to the construction procedures, geological conditions and locations in the double-arched tunnel. According to the results, some reasonable suggestions were provided for the improvement of the tunnel construction. This study will provide useful reference and guidance for the design, construction and monitoring of similar engineering projects in future.

  6. African electricity market liberalization, competition and structuring: Should double bid markets be set up?; Liberalisation, concurrence et structuration des marches de l'electricite en Afrique - Faut-il organiser des marches de double enchere?

    Energy Technology Data Exchange (ETDEWEB)

    Founanou, M. [GERSEG - Universite Gaston Berger, Saint-Louis (Senegal); CRESE - Universite de Franche Comte, 25 - Besancon (France)

    2011-05-15

    In this paper, we analyse the possibility of using double auction mechanisms in the organization of the electricity markets in African countries. Today's electricity markets around the world are de-regulated and going through a restructuring process. In a context marked by the opening up to competition, a double auction for electricity supply is henceforth used to set prices in wholesale and retail electricity markets. Game theory analysis useful for studying the double auction prices proprieties. The double auction is a non-cooperative game, which is strategically equivalent to the auctions theory. The price formed, depending on the buyers and sellers' strategies, is a competitive price, which tends to the ideal price when competition operates intensely on both sides of market. For Africa, the presence of congestion costs and a chronic lack of capacity require the search for other solutions. We investigate optimal strategic behaviour when buyers and sellers are separated by a possibly constrained transmission line and show that bidders' strategies converge to truth-telling behaviour as the number of market participants increases. In the congestion case, this fails to occur. We also investigate how participants in wholesale electricity markets modify their bidding strategies as a function of the influence and behaviour of a transmission line owner. (author)

  7. Modeling the emergence of multi-protein dynamic structures by principles of self-organization through the use of 3DSpi, a multi-agent-based software.

    Science.gov (United States)

    Soula, Hédi; Robardet, Céline; Perrin, François; Gripon, Sébastien; Beslon, Guillaume; Gandrillon, Olivier

    2005-09-19

    There is an increasing need for computer-generated models that can be used for explaining the emergence and predicting the behavior of multi-protein dynamic structures in cells. Multi-agent systems (MAS) have been proposed as good candidates to achieve this goal. We have created 3DSpi, a multi-agent based software that we used to explore the generation of multi-protein dynamic structures. Being based on a very restricted set of parameters, it is perfectly suited for exploring the minimal set of rules needed to generate large multi-protein structures. It can therefore be used to test the hypothesis that such structures are formed and maintained by principles of self-organization. We observed that multi-protein structures emerge and that the system behavior is very robust, in terms of the number and size of the structures generated. Furthermore, the generated structures very closely mimic spatial organization of real life multi-protein structures. The behavior of 3DSpi confirms the considerable potential of MAS for modeling subcellular structures. It demonstrates that robust multi-protein structures can emerge using a restricted set of parameters and allows the exploration of the dynamics of such structures. A number of easy-to-implement modifications should make 3DSpi the virtual simulator of choice for scientists wishing to explore how topology interacts with time, to regulate the function of interacting proteins in living cells.

  8. Modeling the emergence of multi-protein dynamic structures by principles of self-organization through the use of 3DSpi, a multi-agent-based software

    Directory of Open Access Journals (Sweden)

    Beslon Guillaume

    2005-09-01

    Full Text Available Abstract Background There is an increasing need for computer-generated models that can be used for explaining the emergence and predicting the behavior of multi-protein dynamic structures in cells. Multi-agent systems (MAS have been proposed as good candidates to achieve this goal. Results We have created 3DSpi, a multi-agent based software that we used to explore the generation of multi-protein dynamic structures. Being based on a very restricted set of parameters, it is perfectly suited for exploring the minimal set of rules needed to generate large multi-protein structures. It can therefore be used to test the hypothesis that such structures are formed and maintained by principles of self-organization. We observed that multi-protein structures emerge and that the system behavior is very robust, in terms of the number and size of the structures generated. Furthermore, the generated structures very closely mimic spatial organization of real life multi-protein structures. Conclusion The behavior of 3DSpi confirms the considerable potential of MAS for modeling subcellular structures. It demonstrates that robust multi-protein structures can emerge using a restricted set of parameters and allows the exploration of the dynamics of such structures. A number of easy-to-implement modifications should make 3DSpi the virtual simulator of choice for scientists wishing to explore how topology interacts with time, to regulate the function of interacting proteins in living cells.

  9. Synthesis and quantitative structure-activity relationship (QSAR) study of novel isoxazoline and oxime derivatives of podophyllotoxin as insecticidal agents.

    Science.gov (United States)

    Wang, Yi; Shao, Yonghua; Wang, Yangyang; Fan, Lingling; Yu, Xiang; Zhi, Xiaoyan; Yang, Chun; Qu, Huan; Yao, Xiaojun; Xu, Hui

    2012-08-29

    In continuation of our program aimed at the discovery and development of natural-product-based insecticidal agents, 33 isoxazoline and oxime derivatives of podophyllotoxin modified in the C and D rings were synthesized and their structures were characterized by Proton nuclear magnetic resonance ((1)H NMR), high-resolution mass spectrometry (HRMS), electrospray ionization-mass spectrometry (ESI-MS), optical rotation, melting point (mp), and infrared (IR) spectroscopy. The stereochemical configurations of compounds 5e, 5f, and 9f were unambiguously determined by X-ray crystallography. Their insecticidal activity was evaluated against the pre-third-instar larvae of northern armyworm, Mythimna separata (Walker), in vivo. Compounds 5e, 9c, 11g, and 11h especially exhibited more promising insecticidal activity than toosendanin, a commercial botanical insecticide extracted from Melia azedarach . A genetic algorithm combined with multiple linear regression (GA-MLR) calculation is performed by the MOBY DIGS package. Five selected descriptors are as follows: one two-dimensional (2D) autocorrelation descriptor (GATS4e), one edge adjacency indice (EEig06x), one RDF descriptor (RDF080v), one three-dimensional (3D) MoRSE descriptor (Mor09v), and one atom-centered fragment (H-052) descriptor. Quantitative structure-activity relationship studies demonstrated that the insecticidal activity of these compounds was mainly influenced by many factors, such as electronic distribution, steric factors, etc. For this model, the standard deviation error in prediction (SDEP) is 0.0592, the correlation coefficient (R(2)) is 0.861, and the leave-one-out cross-validation correlation coefficient (Q(2)loo) is 0.797.

  10. Nickel–cobalt layered double hydroxide ultrathin nanoflakes decorated on graphene sheets with a 3D nanonetwork structure as supercapacitive materials

    International Nuclear Information System (INIS)

    Yan, Tao; Li, Ruiyi; Li, Zaijun

    2014-01-01

    Graphical abstract: The microwave heating reflux approach was developed for the fabrication of nickel–cobalt layered double hydroxide ultrathin nanoflakes decorated on graphene sheets, in which ammonia and ethanol were used as the precipitator and medium for the synthesis. The obtained composite shows a 3D flowerclusters morphology with nanonetwork structure and largely enhanced supercapacitive performance. - Highlights: • The paper reported the microwave synthesis of nickel–cobalt layered double hydroxide/graphene composite. • The novel synthesis method is rapid, green, efficient and can be well used to the mass production. • The as-synthesized composite offers a 3D flowerclusters morphology with nanonetwork structure. • The composite offers excellent supercapacitive performance. • This study provides a promising route to design and synthesis of advanced graphene-based materials with the superiorities of time-saving and cost-effective characteristics. - Abstract: The study reported a novel microwave heating reflux method for the fabrication of nickel–cobalt layered double hydroxide ultrathin nanoflakes decorated on graphene sheets (GS/NiCo-LDH). Ammonia and ethanol were employed as precipitant and reaction medium for the synthesis, respectively. The resulting GS/NiCo-LDH offers a 3D flowerclusters morphology with nanonetwork structure. Due to the greatly enhanced rate of electron transfer and mass transport, the GS/NiCo-LDH electrode exhibits excellent supercapacitive performances. The maximum specific capacitance was found to be 1980.7 F g −1 at the current density of 1 A g −1 . The specific capacitance can remain 1274.7 F g −1 at the current density of 15 A g −1 and it has an increase of about 2.9% after 1500 cycles. Moreover, the study also provides a promising approach for the design and synthesis of metallic double hydroxides/graphene hybrid materials with time-saving and cost-effective characteristics, which can be potentially applied

  11. Survival of Dicor glass-ceramic dental restorations over 16 years. Part III: effect of luting agent and tooth or tooth-substitute core structure.

    Science.gov (United States)

    Malament, K A; Socransky, S S

    2001-11-01

    The influence of different types of restorative design features on the long-term survival of Dicor glass-ceramic restorations is only partially understood. This study examined the effect of different types of luting agents and preparation core structures on the survival of Dicor glass-ceramic restorations functioning in vivo. A total of 1444 Dicor glass-ceramic restorations were placed on the teeth of 417 adults. Failure was defined as a restoration that required remake because of material fracture. The survival of restorations of different types, with different luting agents and preparation core structures, was described with Kaplan-Meier survival functions. The significance of differences in survival between different tooth or tooth-substitute preparation core structures and different luting agents was determined with the log-rank test. The probability of survival of a typical acid-etched Dicor restoration luted to gold preparation core structures was 91% at 16 years compared with 75% for dentin preparation core structures (P<.01). The survival of acid-etched Dicor restorations luted to dentin preparations was significantly better than nonacid-etched restorations luted to dentin. Acid-etched Dicor restorations luted with resin composite exhibited a more favorable survival function than those luted with glass ionomer (P<.01) and zinc phosphate (P<.05). Differences between restorations luted with glass ionomer or zinc phosphate agents were not significant. Acid-etched Dicor restorations luted to gold preparation core structures exhibited significantly better intraoral survival than restorations luted to dentin. Acid-etched Dicor restorations survived better than nonacid-etched restorations when luted to dentin preparations. Acid-etched Dicor restorations luted with resin composite exhibited more favorable survivor functions than restorations luted with glass ionomer or zinc phosphate agents.

  12. How the Method of Synthesis Governs the Local and Global Structure of Zinc Aluminum Layered Double Hydroxides

    DEFF Research Database (Denmark)

    Puschparaj, Suraj S. C.; Forano, Claude; Prevot, Vanessa

    2015-01-01

    Seven zinc aluminum layered double hydroxides (ZnAl LDHs), [Zn1-xAlx (OH)2Ax,nH2O] A = NO3-, Cl- or CO32-, prepared by the urea and co-precipitation synthesis methods were investigated to determine how synthesis parameters (pH, metal ion concentration and post synthesis treatment) affect the local...

  13. The Double ABCX Model of Family Stress and Adaptation: An Empirical Test by Analysis of Structural Equations with Latent Variables.

    Science.gov (United States)

    Lavee, Yoav; And Others

    1985-01-01

    Examined relationships among major variables of the Double ABCX model of family stress and adaptation using data on Army families' adaptation to the crisis of relocation overseas. Results support the notion of pile-up of demands. Family system resources and social support are both found to facilitate adaptation. (Author/BL)

  14. The Molecular Basis of Double-Strand DNA Break Repair: The Critical Structure of the RAD52/RPA Complex

    National Research Council Canada - National Science Library

    Jackson, Dobra

    2001-01-01

    .... RAD52 has specific interactions with RAD51, RPA and DNA (1,2,3). The binding of RAD52 to ends of double-strand breaks has been found to be a key initiation step to DNA repair by homologous recombination...

  15. Structure, magnetism and electronic properties in 3d-5d based double perovskite ([Formula: see text]Y x )2FeIrO6.

    Science.gov (United States)

    Kharkwal, K C; Pramanik, A K

    2017-11-13

    The 3d-5d based double perovskites are of current interest as they provide model systems to study the interplay between electronic correlation (U) and spin-orbit coupling (SOC). Here, we report detailed structural, magnetic and transport properties of doped double perovskite material ([Formula: see text]Y x ) 2 FeIrO 6 with [Formula: see text]. With substitution of Y, the system retains its original crystal structure but structural parameters change with x in nonmonotonic fashion. The magnetization data for Sr 2 FeIrO 6 show antiferromagnetic type magnetic transition around 45 K; however, a close inspection of the data indicates a weak magnetic phase transition around 120 K. No change of structural symmetry has been observed down to low temperature, although the lattice parameters show sudden changes around the magnetic transitions. Sr 2 FeIrO 6 shows an insulating behavior over the whole temperature range, which nevertheless does not change with Y substitution. The nature of charge conduction is found to follow thermally activated Mott's variable range hopping and power law behavior for parent and doped samples, respectively. Interestingly, evolution of structural, magnetic and transport behavior in ([Formula: see text]Y x ) 2 FeIrO 6 is observed to reverse with [Formula: see text], which is believed to arise due to a change in the transition metal ionic state.

  16. Structure, magnetism and electronic properties in 3d-5d based double perovskite ({Sr_{1-x}} Y x )2FeIrO6

    Science.gov (United States)

    Kharkwal, K. C.; Pramanik, A. K.

    2017-12-01

    The 3d-5d based double perovskites are of current interest as they provide model systems to study the interplay between electronic correlation (U) and spin-orbit coupling (SOC). Here, we report detailed structural, magnetic and transport properties of doped double perovskite material (Sr1-x Y x )2FeIrO6 with x ≤slant 0.2 . With substitution of Y, the system retains its original crystal structure but structural parameters change with x in nonmonotonic fashion. The magnetization data for Sr2FeIrO6 show antiferromagnetic type magnetic transition around 45 K however, a close inspection of the data indicates a weak magnetic phase transition around 120 K. No change of structural symmetry has been observed down to low temperature, although the lattice parameters show sudden changes around the magnetic transitions. Sr2FeIrO6 shows an insulating behavior over the whole temperature range, which nevertheless does not change with Y substitution. The nature of charge conduction is found to follow thermally activated Mott’s variable range hopping and power law behavior for parent and doped samples, respectively. Interestingly, evolution of structural, magnetic and transport behavior in (Sr1-x Y x )2FeIrO6 is observed to reverse with x > 0.1 , which is believed to arise due to a change in the transition metal ionic state.

  17. Structure, magnetism and electronic properties in 3d-5d based double perovskite (Sr1-xYx)2FeIrO6.

    Science.gov (United States)

    Kharkwal, Kishor Chandra; Pramanik, Ashim Kumar

    2017-10-17

    The 3$d$-5$d$ based double perovskites are of current interest as they provide model system to study the interplay between electronic correlation ($U$) and spin-orbit coupling (SOC). Here we report detailed structural, magnetic and transport properties of doped double perovskite material (Sr$_{1-x}$Y$_x$)$_2$FeIrO$_6$ with $x$ $\\leq$ 0.2. With substitution of Y, system retains its original crystal structure but structural parameters modify with $x$ in nonmonotonic fashion. The magnetization data for Sr$_2$FeIrO$_6$ show antiferromagnetic type magnetic transition around 45 K, however, a close inspection in data indicates a weak magnetic phase transition around 120 K. No change of structural symmetry has been observed down to low temperature, although the lattice parameters show sudden changes around the magnetic transitions. Sr$_2$FeIrO$_6$ shows an insulating behavior over the whole temperature range which yet does not change with Y substitution. Nature of charge conduction is found to follow thermally activated Mott's variable range hopping and power law behavior for parent and doped samples, respectively. Interestingly, evolution of structural, magnetic and transport behavior in (Sr$_{1-x}$Y$_x$)$_2$FeIrO$_6$ is observed to reverse with $x$ $>$ 0.1 which is believed to arise due to change in transition metal ionic state. © 2017 IOP Publishing Ltd.

  18. Double-shell Fe2O3 hollow box-like structure for enhanced photo-Fenton degradation of malachite green dye

    Science.gov (United States)

    Jiang, De Bin; Liu, Xiaoying; Xu, Xuan; Zhang, Yu Xin

    2018-01-01

    In this work we demonstrate the synthesis of novel Fe2O3 nanosheets with double-shell hollow morphology by replica molding from diatomite framework. The nanostructures of Fe2O3 nanosheets were examined by focused-ion-beam scanning electron microscopy (FIB/SEM), X-ray diffraction spectroscopy (XRD), Brunauer-Emmett-Teller (BET) specific surface area measurements and Fourier transform infrared (FT-IR) spectroscopy. The results reveal that (1) Pure Fe2O3 nanosheets were successfully obtained; (2) The double-shell Fe2O3 hollow structure achieved via the NaOH etching silica method was observed; (3) Fe2O3 nanosheets possessed uniformly distributed porous nanosheets. Such structural features enlarged the specific surface area of Fe2O3 nanosheets and led to more catalytic active sites. In the heterogeneous photo-Fenton reaction, the double-shell Fe2O3 hollow morphology exhibited excellent catalytic capability for the degradation of malachite green (MG) at circumneutral pH condition. Under optimum condition, MG solution was almost completely decolorized in 60 min (99.9%). The Fe2O3 nanosheets also showed good stability and recyclability, demonstrating great potential as a promising photo-Fenton catalyst for the effective degradation of MG dye in wastewater.

  19. Double inflation

    International Nuclear Information System (INIS)

    Silk, J.; Turner, M.S.

    1986-04-01

    The Zel'dovich spectrum of adiabatic density perturbations is a generic prediction of inflation. There is increasing evidence that when the spectrum is normalized by observational data on small scales, there is not enough power on large scales to account for the observed large-scale structure in the Universe. Decoupling the spectrum on large and small scales could solve this problem. As a means of decoupling the large and small scales we propose double inflation (i.e., two episodes of inflation). In this scenario the spectrum on large scales is determined by the first episode of inflation and those on small scales by a second episode of inflation. We present three models for such a scenario. By nearly saturating the large angular-scale cosmic microwave anisotropy bound, we can easily account for the observed large-scale structure. We take the perturbations on small scales to be very large, deltarho/rho approx. = 0.1 to 0.01, which results in the production of primordial black holes (PBHs), early formation of structure, reionization of the Universe, and a rich array of astrophysical events. The Ω-problem is also addressed by our scenario. Allowing the density perturbations produced by the second episode of inflation to be large also lessens the fine-tuning required in the scalar potential and makes reheating much easier. We briefly speculate on the possibility that the second episode of inflation proceeds through the nucleation of bubbles, which today manifest themselves as empty bubbles whose surfaces are covered with galaxies. 37 refs., 1 fig

  20. A novel durable double-conductive core-shell structure applying to the synthesis of silicon anode for lithium ion batteries

    Science.gov (United States)

    Xing, Yan; Shen, Tong; Guo, Ting; Wang, Xiuli; Xia, Xinhui; Gu, Changdong; Tu, Jiangping

    2018-04-01

    Si/C composites are currently the most commercially viable next-generation lithium-ion battery anode materials due to their high specific capacity. However, there are still many obstacles need to be overcome such as short cycle life and poor conductivity. In this work, we design and successfully synthesis an excellent durable double-conductive core-shell structure p-Si-Ag/C composites. Interestingly, this well-designed structure offers remarkable conductivity (both internal and external) due to the introduction of silver particles and carbon layer. The carbon layer acts as a protective layer to maintain the integrity of the structure as well as avoids the direct contact of silicon with electrolyte. As a result, the durable double-conductive core-shell structure p-Si-Ag/C composites exhibit outstanding cycling stability of roughly 1000 mAh g-1 after 200 cycles at a current density of 0.2 A g-1 and retain 765 mAh g-1 even at a high current density of 2 A g-1, indicating a great improvement in electrochemical performance compared with traditional silicon electrode. Our research results provide a novel pathway for production of high-performance Si-based anodes to extending the cycle life and specific capacity of commercial lithium ion batteries.

  1. Double Trouble

    NARCIS (Netherlands)

    Elsaesser, Thomas; Kievit, Robert; Simons, Jan

    1994-01-01

    Double Trouble highlights the career of Dutch scriptwriter and television producer Chiem van Houweninge, well-known for his long-running TV comedy series and as author of episodes for TV detective series. Double Trouble gives Van Houweninge's own views on writing and filming in television prime

  2. Polyacene coated carbon/LiFePO4 cathode for Li ion batteries: Understanding the stabilized double coating structure and enhanced lithium ion diffusion kinetics

    International Nuclear Information System (INIS)

    Chen, Zhaoyong; Du, Binglin; Xu, Ming; Zhu, Huali; Li, Lingjun; Wang, Wenhua

    2013-01-01

    Graphical abstract: Schematic diagrams of the double coating process of PAS/carbon coated LiFePO 4 . -- Highlights: • The LiFePO 4 synthesized by hydrothermal route using starch as surfactant has smaller particle size compared with that synthesized by solid state method. • The starch acts as constrained nano-layer restricting the growth of the LiFePO 4 particles. • The polyacene/carbon double layers are coated on the surface of LiFePO 4 successfully. • The polyacene/carbon double coated LiFePO 4 exhibits better capacity retention with 99.7% at 1C after 50 cycles. -- Abstract: Polyacene (PAS)/carbon coated lithium iron phosphate composites were synthesized with starch as surfactant using hydrothermal route at 180 °C for 5 h followed by calcining phenolic resin surface coated LiFePO 4 at 750 °C for 6 h. X-ray powder diffraction (XRD) was performed to investigate the structure and phase purity of all samples. The results of Fourier transform infrared spectroscopy (FTIR) and transmission electron microscope (TEM) characterization show that the polyacene (PAS) and carbon double layer are coated on the surface of LiFePO 4 successfully. The sample synthesized in hydrothermal route shows small particle size (100–150 nm) as demonstrated in scanning electron microscopy (SEM) images, which can be ascribed to the coated starch nano-layer restricting the growth of the LiFePO 4 particles. Electrochemical impedance spectroscopy as well as charge and discharge tests was carried out to investigate the electrochemical performance of all samples. High initial discharge capacity (161.7 mAh g −1 at 0.2C) and good cycling stability are observed in PAS/carbon double coated LiFePO 4 synthesized using the hydrothermal route. Compared with the S-PLFP, the lower charge transfer resistance (R ct ) and the higher lithium ion diffusion coefficient of the H-PCLFP can be ascribed to the double coating layer (PAS and carbon) on the surface of H-PCLFP and the small grain size

  3. Determination of Cell Doubling Times from the Return-on-Investment Time of Photosynthetic Vesicles Based on Atomic Detail Structural Models.

    Science.gov (United States)

    Hitchcock, Andrew; Hunter, C Neil; Sener, Melih

    2017-04-20

    Cell doubling times of the purple bacterium Rhodobacter sphaeroides during photosynthetic growth are determined experimentally and computationally as a function of illumination. For this purpose, energy conversion processes in an intracytoplasmic membrane vesicle, the chromatophore, are described based on an atomic detail structural model. The cell doubling time and its illumination dependence are computed in terms of the return-on-investment (ROI) time of the chromatophore, determined computationally from the ATP production rate, and the mass ratio of chromatophores in the cell, determined experimentally from whole cell absorbance spectra. The ROI time is defined as the time it takes to produce enough ATP to pay for the construction of another chromatophore. The ROI time of the low light-growth chromatophore is 4.5-2.6 h for a typical illumination range of 10-100 μmol photons m -2 s -1 , respectively, with corresponding cell doubling times of 8.2-3.9 h. When energy expenditure is considered as a currency, the benefit-to-cost ratio computed for the chromatophore as an energy harvesting device is 2-8 times greater than for photovoltaic and fossil fuel-based energy solutions and the corresponding ROI times are approximately 3-4 orders of magnitude shorter for the chromatophore than for synthetic systems.

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

    Directory of Open Access Journals (Sweden)

    Ignacio Carbonel

    2013-01-01

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

  5. The Influence of Carbonate Ions on the Structure of the Electrical Double Layer at the Interface of Hydroxyapatite/Electrolyte Solution

    Directory of Open Access Journals (Sweden)

    Ewa SKWAREK

    2016-05-01

    Full Text Available The aim of the work was to investigate the changes in the double electrical layer at the hydroxyapatite containing different amount of carbonate ions/electrolyte solution. Besides, the main properties of the edl (electrical double layer, i.e. surface charge density and zeta potential were determined by electrophoresis measurements and potentiometer titration, respectively. The synthesized adsorbents were characterized by the following methods: X-ray diffraction, FTIR (Fourier Transform Infrared Spectroscopy, adsorption and desorption of nitrogen and scanning electron microscopy. The analyzed samples had different structures and particle sizes. It was proved that increase in the carbonate groups content is connected with the decrease of apatite grain sizes and crystallinity reduction. The characteristic parameters of the electric double layer were also different: pHpzc (point zero of charge of hydroxyapatite was 6.5 whereas for carbonate apatite was higher – pHpzc = 8. In both cases determination of precise pHIEP (isoelectric point was not possible but it is known that its value is lower than 4.DOI: http://dx.doi.org/10.5755/j01.ms.22.2.7817

  6. Atomic structure and electronic properties of A2B2XY (A = Si-Pb, B = Cl-I, and XY = PN and SiS) inorganic double helices: first principles calculations.

    Science.gov (United States)

    Bijoy, T K; Murugan, P; Kumar, Vijay

    2018-03-05

    We study the structural stability and electronic properties of new classes of DNA-like inorganic double helices of the type A 2 B 2 XY (A = Si-Pb, B = Cl-I, and XY = PN and SiS) by employing first principles density functional theory (DFT) calculations including van der Waals interactions. In these quaternary double helices PN or SiS forms the inner helix while the AB helix wraps around the inner helix and the two are interconnected. We find that the bromides and iodides of Ge, Sn, and Pb as well as Pb 2 Cl 2 PN form structurally stable double helices while Ge 2 I 2 SiS as well as bromides and iodides of Sn and Pb have stable double helices. The atomic structures of different double helices have been analyzed in detail to understand the stability of these systems as there is up to about 80% difference in the interatomic distances in the two helices which is remarkable. Also in these new classes of double helices there is polar covalent bonding in the inner helix due to heteroatoms. We have calculated the DDEC6 partial atomic charges and bond orders which suggest strong covalent bonding in the inner helix. The electronic structure reveals that these double helices are semiconducting and in many cases the band gap is direct. Furthermore, we have studied the effects of doping and found that hole doping is the most appropriate way to tuning their electronic properties.

  7. Influence of the B-site cation nature on crystal structure and magnetic properties of Ca2BMoO6 (B = Cr, La, Sm double perovskite

    Directory of Open Access Journals (Sweden)

    Gorodea Ioana A.

    2014-12-01

    Full Text Available Double perovskite-type oxide Ca2BMoO6 materials, where B = Cr, La and Sm, were prepared by the sol-gel auto-combustion method for the first time. The role of different B-site cations on their synthesis, structures, and magnetic properties was investigated. The synthesis progress was followed by the Fourier transform infrared spectroscopy and the samples’ structure was investigated by X-ray diffraction. The increase of the ionic radii B leads to the decrease of the t-value which reflects the structural distortion from the ideal cubic perovskite. Magnetization measurements were made with a SQUID magnetometer. All compounds are ferimagnetic and magnetic properties are indirectly influenced by the distortion degree of the lattice and disorder on the B/B’ positions

  8. First principles study of the structural and electronic properties of double perovskite Ba{sub 2}YTaO{sub 6} in cubic and tetragonal phases

    Energy Technology Data Exchange (ETDEWEB)

    Deluque Toro, C.E., E-mail: deluquetoro@gmail.com [Grupo de Nuevos Materiales, Universidad Popular del Cesar, Valledupar (Colombia); Rodríguez M, Jairo Arbey [Grupo de Estudios de Materiales—GEMA, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Landínez Téllez, D.A. [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Moreno Salazar, N.O. [Departamento de Física, Universidade Federal de Sergipe (Brazil); Roa-Rojas, J. [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia)

    2014-12-15

    The Ba{sub 2}YTaO{sub 6} double perovskite presents a transition from cubic (Fm−3m) to tetragonal structure (I4/m) at high temperature. In this work, we present a detailed study of the structural and electronic properties of the double perovskite Ba{sub 2}YTaO{sub 6} in space group Fm−3m and I4/m. Calculations were made with the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient (GGA) and Local Density (LDA) approximations. From the minimization of energy as a function of volume and the fitting of the Murnaghan equation some structural characteristics were determined as, for example, total energy, lattice parameter (a=8.50 Å in cubic phase and a=5.985 Å and c=8.576 Å in tetragonal), bulk modulus (135.6 GPa in cubic phase and 134.1 GPa in tetragonal phase) and its derivative. The study of the electronic characteristics was performed from the analysis of the electronic density of states (DOS). We find a non-metallic behavior for this with a direct band gap of approximately 3.5 eV and we found that the Ba{sub 2}YTaO{sub 6} (I4/m) phase is the most stable one. {sup ©} 2013 Elsevier Science. All rights reserved.

  9. Two-bit memory and quantized storage phenomenon in conventional MOS structures with double-stacked Pt-NCs in an HfAlO matrix.

    Science.gov (United States)

    Zhou, Guangdong; Wu, Bo; Liu, Xiaoqin; Li, Ping; Zhang, Shuangju; Sun, Bai; Zhou, Ankun

    2016-03-07

    A two-bit memory and quantized storage phenomenon are observed at room temperature for a device based on the traditional MOS structure with double-stacked Pt-nanocrystals (Pt-NCs). A 2.68 and 1.72 V flat band voltage shift (memory window) has been obtained when applying a ±7 V programming/erasing voltage to the structures with double-stacked Pt-NCs. The memory windows of 2.40 and 1.44 V can be retained after stress for 10(5) seconds, which correspond to 89.55% and 83.72% stored charges reserved. The quantized charge storage phenomenon characterized by current-voltage (J-V) hysteresis curves was detected at room temperature. The shrinkage of the memory window results from the decreasing tunneling probability, which strongly depends on the number of stacks. The traps, de-traps and quantum confinement effects of Pt-NCs may contribute to the improvement of dielectric characteristics and the two-bit memory behavior. The multi-bit memory and quantized storage behavior observed in the Pt-NCs stacks structure at room temperature might provide a feasible method for realizing the multi-bit storage in non-volatile flash memory devices.

  10. Structure and superconductivity of double-doped Mg1-x(Al0.5Li0.5)xB2

    DEFF Research Database (Denmark)

    Xu, G.J.; Grivel, Jean-Claude; Abrahamsen, A.B.

    2003-01-01

    A series of polycrystalline samples of Mg1-x(Al0.5Li0.5)(x)B-2 (0less than or equal toxless than or equal to0.6) were prepared by a solid state reaction method and their structure, superconducting transition temperature and magneto-transport properties were investigated by means of X-ray diffract......A series of polycrystalline samples of Mg1-x(Al0.5Li0.5)(x)B-2 (0less than or equal toxless than or equal to0.6) were prepared by a solid state reaction method and their structure, superconducting transition temperature and magneto-transport properties were investigated by means of X......-ray diffraction (XRD), ac-susceptibility and resistance in varied magnetic fields. The double doping leads to decreases in both the lattice parameters a and c. The superconducting transition temperature (T-c) decreases with double doping, but the T-c is systematically higher than that of the single Al......-doped samples. It is suggested that the hole band filling has little effect on T-c at high doping level, while the disorder induced by doping plays an important role in suppressing T-c. A systematic comparison with Al-doped MgB2 of the structure, superconducting transition and irreversibility field is made. (C...

  11. Crystal Structures of Brain Group-VIII Phospholipase A2 in Non-aged Complexes with the Organophosphorus Nerve Agents Soman and Sarin†‡

    Science.gov (United States)

    Epstein, Todd M.; Samanta, Uttamkumar; Kirby, Stephen D.; Cerasoli, Douglas M.; Bahnson, Brian J.

    2009-01-01

    Insecticide and nerve agent organophosphorus compounds are potent inhibitors of the serine hydrolase superfamily of enzymes. Nerve agents, such as sarin, soman, tabun and VX exert their toxicity by inhibiting human acetycholinesterase at nerve synapses. Following the initial phosphonylation of the active site serine, the enzyme may reactivate spontaneously or through reaction with an appropriate nucleophilic oxime. Alternatively, the enzyme-nerve agent complex can undergo a secondary process, called “aging”, which dealkylates the nerve agent adduct and results in a product that is highly resistant to reactivation by any known means. Here we report the structures of paraoxon, soman and sarin complexes of group-VIII phospholipase A2 from bovine brain. In each case, the crystal structures indicate a non-aged adduct; a stereoselective preference for binding of the PSCS isomer of soman and the PS isomer of sarin was also noted. The stability of the non-aged complexes was corroborated by trypsin digest and electrospray ionization mass spectrometry, which indicates non-aged complexes are formed with diisopropylfluorophosphate, soman and sarin. The PS stereoselectivity for reaction with sarin was confirmed by reaction of racemic sarin, followed by gas chromatography/mass spectrometry using a chiral column to separate and quantitate each stereoisomer. The PS stereoisomers of soman and sarin are known to be the more toxic stereoisomers, as they react preferentially to inhibit human acetylcholinesterase. The results obtained for non-aged complexes of group-VIII phospholipase A2 are compared to those obtained for other serine hydrolases and discussed to partly explain determinants of OP aging. Furthermore, structural insights can now be exploited to engineer variant versions of this enzyme with enhanced nerve agent binding and hydrolysis functions. PMID:19271773

  12. Crystal structures of brain group-VIII phospholipase A2 in nonaged complexes with the organophosphorus nerve agents soman and sarin.

    Science.gov (United States)

    Epstein, Todd M; Samanta, Uttamkumar; Kirby, Stephen D; Cerasoli, Douglas M; Bahnson, Brian J

    2009-04-21

    Insecticide and nerve agent organophosphorus (OP) compounds are potent inhibitors of the serine hydrolase superfamily of enzymes. Nerve agents, such as sarin, soman, tabun, and VX exert their toxicity by inhibiting human acetycholinesterase at nerve synapses. Following the initial phosphonylation of the active site serine, the enzyme may reactivate spontaneously or through reaction with an appropriate nucleophilic oxime. Alternatively, the enzyme-nerve agent complex can undergo a secondary process, called "aging", which dealkylates the nerve agent adduct and results in a product that is highly resistant to reactivation by any known means. Here we report the structures of paraoxon, soman, and sarin complexes of group-VIII phospholipase A2 from bovine brain. In each case, the crystal structures indicate a nonaged adduct; a stereoselective preference for binding of the P(S)C(S) isomer of soman and the P(S) isomer of sarin was also noted. The stability of the nonaged complexes was corroborated by trypsin digest and electrospray ionization mass spectrometry, which indicates nonaged complexes are formed with diisopropylfluorophosphate, soman, and sarin. The P(S) stereoselectivity for reaction with sarin was confirmed by reaction of racemic sarin, followed by gas chromatography/mass spectrometry using a chiral column to separate and quantitate each stereoisomer. The P(S) stereoisomers of soman and sarin are known to be the more toxic stereoisomers, as they react preferentially to inhibit human acetylcholinesterase. The results obtained for nonaged complexes of group-VIII phospholipase A2 are compared to those obtained for other serine hydrolases and discussed to partly explain determinants of OP aging. Furthermore, structural insights can now be exploited to engineer variant versions of this enzyme with enhanced nerve agent binding and hydrolysis functions.

  13. Binding of the anticancer alkaloid sanguinarine to double stranded RNAs: insights into the structural and energetics aspects.

    Science.gov (United States)

    Chowdhury, Sebanti Roy; Islam, Md Maidul; Kumar, Gopinatha Suresh

    2010-07-01

    Elucidation of the molecular aspects of small molecule-RNA complexation is of prime importance for rational RNA targeted drug design strategies. Towards this, the interaction of the cytotoxic plant alkaloid sanguinarine to three double stranded ribonucleic acids, poly (A).poly(U), poly(I).poly(C) and poly(C).poly(G) was studied using various biophysical and thermodynamic techniques. Absorbance and fluorescence studies showed that the alkaloid bound cooperatively to these RNAs with binding affinities of the order 10(4) M(-1). Fluorescence quenching and hydrodynamic studies gave evidence for intercalation of sanguinarine to these RNA duplexes. Isothermal titration calorimetric studies revealed that the binding was characterized by negative enthalpy and positive entropy changes and the affinity constants derived were in agreement with the overall binding affinity values obtained from spectroscopic data. The binding of sanguinarine stabilized the melting of poly(A). poly(U) and poly(I).poly(C) and the binding data evaluated from the melting data were in agreement with that obtained from other techniques. The overall binding affinity of sanguinarine to these double stranded RNAs varied in the order, poly(A).poly(U) > poly(I).poly(C) > poly(C).poly(G). The temperature dependence of the enthalpy changes afforded negative values of heat capacity changes for the binding of sanguinarine to poly(A).poly(U) and poly(I).poly(C), suggesting substantial hydrophobic contribution in the binding process. Further, enthalpy-entropy compensation phenomena was also seen in poly(A).poly(U) and poly(I).poly(C) systems that correlated to the strong binding involving a multiplicity of weak noncovalent interactions compared to the weak binding with poly(C).poly(G). These results further advance our understanding on the binding of small molecules that are specific binders to double stranded RNA sequences.

  14. Phase control of squeezed state in double electromagnetically induced transparency system with a loop-transition structure

    Science.gov (United States)

    Li, Yuan; Zhou, Yusheng; Wang, Yong; Ling, Qiang; Chen, Bing; Dou, Yan; Zhang, Wei; Gao, Weiqing; Guo, Zhiqiang; Zhang, Junxiang

    2018-03-01

    We theoretically study the squeezed probe light passing through a double electromagnetically induced transparency (DEIT) system, in which a microwave field and two coupling lights drive a loop transition. It is shown that the output squeezing can be maintained in both two transparency windows of DEIT, and it can also be manipulated by the relative phase of the three driving fields. The influence of the intensity of applied fields and the optical depth of atoms on the squeezing is also investigated. This study offers possibilities to manipulate the squeezing propagation in atomic media by the phase of electromagnetic fields.

  15. 10-hydroxybenzo[h]quinoline: Switching between single and double-well proton transfer through structural modifications

    DEFF Research Database (Denmark)

    Hristova, S; Dobrikov, G; Kamounah, F. S.

    2015-01-01

    and excited singlet state. We observed that the incorporation of electron acceptor substituents on position 7 of the HBQ backbone led to appearance of a keto tautomer in ground state and changes in the excited state potential energy surface. Both processes were strongly solvent dependent. In the ground state...... the equilibrium could be driven from the enol to the keto form by change of solvent. The theoretical calculations explain the substitution-determined transition from a single- to a double-well proton transfer mechanism...

  16. Structure of nuclei with masses 76 and 82 and nuclear matrix elements of neutrinoless double beta decay

    Science.gov (United States)

    Yoshinaga, N.; Yanase, K.; Higashiyama, K.; Teruya, E.; Taguchi, D.

    2018-02-01

    Nuclear shell-model calculations are carried out for isobaric nuclei with masses 76 and 82. Energy spectra and electromagnetic transition rates are compared with the experimental data. Using the wavefunctions thus obtained, nuclear matrix elements for the neutrinoless double beta decay are estimated. In order to investigate the model dependence on the nuclear matrix elements, pair-truncated shell-model calculations are also performed. By comparing the results with those in other models, the nuclear matrix elements are found to be sensitive to the ground-state correlations. In particular, nuclear matrix elements have strong correlations with pairing gaps.

  17. Structure-spectrophotometric selectivity relationship in interactions of quercetin related flavonoids with double stranded and single stranded RNA

    Science.gov (United States)

    Piantanida, Ivo; Mašić, Lozika; Rusak, Gordana

    2009-04-01

    Interactions of five flavonoids with dsRNA and single stranded ssRNA were studied by UV/vis titrations. The results obtained supported the intercalative binding mode as a dominant interaction of studied flavonoids with dsRNA as well as major interaction with ssRNA. Furthermore, changes of the UV/vis spectra of flavonoids induced by addition of poly G or poly C, respectively, are significantly stronger than changes induced by double stranded poly G-poly C, pointing to essential role of the free poly G or poly C sequence (not hydrogen bonded in double helix). Exclusively poly G caused significant batochromic shift of the UV/vis maxima of all studied flavonoids, whereby the intensity of batochromic shift is nicely correlated to the number of OH groups of flavonoid. Unlikely to poly G, addition of poly A and poly U induced measurable changes only in the UV/vis spectra of flavonoids characterised by no OH (galangin) or three OH groups (myricetin) on the phenyl part of the molecule. Consequently, flavonoids with one- or two-OH groups on the phenyl part of the molecule (luteolin, fisetin, kaempferol) specifically differentiate between poly A, poly U (negligible changes in the UV/Vis spectra) and poly G (strong changes in the UV/Vis spectra) as well as poly C (moderate changes in the UV/Vis spectra).

  18. Controlled preparation of amphiphilic triblock-copolyether in a metal- and solvent-free approach for tailored structure-directing agents.

    Science.gov (United States)

    Balint, Alexander; Papendick, Marius; Clauss, Manuel; Müller, Carsten; Giesselmann, Frank; Naumann, Stefan

    2018-02-27

    Under mild conditions, PPO-PEO-PPO ("reverse Pluronics") and PBO-PEO-PBO copolyether were generated by way of N-heterocyclic olefin-based organocatalysis. Reverse Pluronics with molar masses > 20 000 g mol -1 could be synthesized with excellent control (Đ M ≤ 1.03) and were converted into (ordered) mesoporous carbons via organic self-assembly to showcase the need for tailor-made copolymer as structure-directing agent.

  19. Electronic structures of compensated magnetism in double perovskites A2CrRu(Os)O6 (A = Si, Ge, Sn, and Pb) from ab initio calculations

    International Nuclear Information System (INIS)

    Fuh, Huei-Ru; Liu, Yun-Ping; Chen, Shao-Hua; Wang, Yin-Kuo

    2013-01-01

    Highlights: ► Double perovskite. ► Compensated magnetism. ► First principle. - Abstract: We investigated possible candidates for a compensated half-metal (CHM) with a double perovskite structure A 2 CrRu(Os)O 6 (A = Si, Ge, Sn, and Pb). Electronic structures and magnetic properties were analyzed using the accurate full-potential linear augmented plane wave method within the generalized gradient approximation (GGA). The compensated magnetism can be divided into half-metallic antiferromagnets (HM-AF) and antiferromagnetic insulator (AF-Is) based on their zero magnetic moments. A 2 CrRuO 6 (A = Si, Ge, Sn, and Pb) is a potential candidate for HM-AF, and Sn 2 CrOsO 6 and Pb 2 CrOsO 6 can be classified as AF-Is. The HM-AF and AF-Is states are both attributed to the superexchange and generalized double exchange mechanism. When the GGA + U calculation is taken into account, all A 2 CrRu(Os)O 6 (A = Si, Ge, Sn, and Pb) states become unconventional AF-Is because the two AF state-coupled ions consisted of two different elements and the two spin-resolved densities of states were no longer the same. Further experimental confirmation will be done for the possible CHM of A 2 CrRuO 6 (A = Si, Ge, Sn, and Pb), Sn 2 CrOsO 6 , and Pb 2 CrOsO 6 .

  20. New magnetic rails with double-layer Halbach structure by employing NdFeB and ferrite magnets for HTS maglev

    Science.gov (United States)

    Sun, Ruixue; Zheng, Jun; Zheng, Botian; Qian, Nan; Li, Jipeng; Deng, Zigang

    2018-01-01

    In the high temperature superconducting (HTS) maglev system, the magnetic rail as an essential infrastructure is needed all along the route to carry passengers and goods to the destinations. Thus, large amount of rare earth magnetic materials are required in the magnetic rail construction. In order to decrease the dependence of magnetic rails on rare earth elements, the ferrite magnet is employed to replace part of the NdFeB magnets containing rare earth elements. Consequently, a new type rail with double-layer Halbach structure is presented, which is consisted of NdFeB and ferrite magnets. In this paper, we designed and fabricated the proposed rail, and further measured its magnetic flux density distribution and electromagnetic force interacting with HTS bulks. Experimental results indicate that, this new type rail, in double-layer Halbach structure, can achieve an equivalent distribution of magnetic flux density and levitation performance as the pure NdFeB Halbach rail, while a 10% reduction in NdFeB magnet consumption can be realized at the same time. In addition this work explores another magnetic material selection for HTS maglev applications. The dependence on rare earth element and the cost of magnetic rails can be further reduced, as the coercive force of ferrite magnets improved.

  1. Generalization of transfer matrix method for bi-gyrotropic double-negative magnetic materials in order to use them in multilayer structures.

    Science.gov (United States)

    Zamani, Mehdi; Hajesmaeili, Hamidreza Nezhad; Zandi, Mohammad Hossein

    2017-01-25

    The optical and magneto-optical (MO) response in magnetic multilayer systems is calculated by the transfer matrix method (TMM). In a bi-gyrotropic medium, the electric permittivity (ϵ) and the magnetic permeability (μ) coefficients are in the form of non-diagonal tensors synchronously, in which their non-diagonal elements refer to the existence of anisotropy in such a medium. On the other hand, in a double-negative medium, both the ϵ and μ coefficients are negative. In the present study, we have investigated the combination of these two phenomena and have introduced a TMM-based approach for studying the optical and MO properties of multilayer structures containing bi-gyrotropic double-negative magnetic materials (BDNMMs), whose diagonal and non-diagonal elements refer to the existence of negativity and anisotropy, respectively. We have also investigated the capability of such BDNMM materials in comparison with conventional bi-gyrotropic materials in magneto-photonic crystal structures. As a result, we found that broadening occurs in the optical and magneto-optical responses simultaneously.

  2. Structural elucidation of direct analysis in real time ionized nerve agent simulants with infrared multiple photon dissociation spectroscopy

    NARCIS (Netherlands)

    Rummel, J.L.; Steill, J.D.; Oomens, J.; Contreras, C.S.; Pearson, W.L.; Szczepanski, J.; Powell, D.H.; Eyler, J.R.

    2011-01-01

    Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent

  3. Structural Elucidation of Direct Analysis in Real Time Ionized Nerve Agent Simulants with Infrared Multiple Photon Dissociation Spectroscopy

    NARCIS (Netherlands)

    Rummel, J. L.; Steill, J. D.; Oomens, J.; Contreras, C. S.; Pearson, W. L.; Szczepanski, J.; Powell, D. H.; Eyler, J. R.

    2011-01-01

    Infrared multiple photon dissociation (IRMPD) was used to generate vibrational spectra of ions produced with a direct analysis in real time (DART) ionization source coupled to a 4.7 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. The location of protonation on the nerve agent

  4. Formation and properties of the buried isolating silicon-dioxide layer in double-layer “porous silicon-on-insulator” structures

    Energy Technology Data Exchange (ETDEWEB)

    Bolotov, V. V.; Knyazev, E. V.; Ponomareva, I. V.; Kan, V. E., E-mail: kan@obisp.oscsbras.ru; Davletkildeev, N. A.; Ivlev, K. E.; Roslikov, V. E. [Russian Academy of Sciences, Omsk Scientific Center, Siberian Branch (Russian Federation)

    2017-01-15

    The oxidation of mesoporous silicon in a double-layer “macroporous silicon–mesoporous silicon” structure is studied. The morphology and dielectric properties of the buried insulating layer are investigated using electron microscopy, ellipsometry, and electrical measurements. Specific defects (so-called spikes) are revealed between the oxidized macropore walls in macroporous silicon and the oxidation crossing fronts in mesoporous silicon. It is found that, at an initial porosity of mesoporous silicon of 60%, three-stage thermal oxidation leads to the formation of buried silicon-dioxide layers with an electric-field breakdown strength of E{sub br} ~ 10{sup 4}–10{sup 5} V/cm. Multilayered “porous silicon-on-insulator” structures are shown to be promising for integrated chemical micro- and nanosensors.

  5. Crystal structure and magnetic properties of the double perovskite (Sr2-xCax)FeMoO6 (0≤x≤1.0)

    International Nuclear Information System (INIS)

    Liu, R.S.; Chan, T.S.; Hu, S.F.; Lin, J.G.; Huang, C.Y.

    2002-01-01

    We have investigated the crystal structure and magnetic properties of the new series of ordered double perovskite oxides (Sr 2-x Ca x )FeMoO 6 (0≤x≤1.0). A monotonous decrease of the lattice constants (a and c) has been found with increasing x. Such an effect may also give rise to a distorted structure with Fe-O-Mo angle changing from 180 deg. for x=0 to 162 deg. for x=1.0. The magnetization increases from x=0 to 0.5 and then slightly decreases from x=0.5 to 1.0. Such complex magnetic behavior is strongly correlated to the chemical size effect (corresponding to the internal pressure) in the title compounds

  6. Two-dimensional analytical model for hetero-junction double-gate tunnel field-effect transistor with a stacked gate-oxide structure

    Science.gov (United States)

    Xu, Hui Fang; Gui Guan, Bang

    2017-05-01

    A two-dimensional analytical model for hetero-junction double-gate tunnel FETs (DG TFETs) with a stacked gate-oxide structure is proposed in this paper. The effects of both the channel mobile charges and source/drain depletion regions on the channel potential profile are considered for the higher accuracy of the proposed model. Poisson’s equation is solved using the superposition principle and Fourier series solution to model the channel potential. The band-to-band tunneling generation rate is expressed as a function of the channel electric field derived from the channel potential and then integrated analytically to derive the drain current of the hetero-junction DG TFETs with a stacked gate-oxide structure using the shortest tunneling path. The effects of device parameters on the channel potential, drain current, and transconductance are investigated. Very good agreements are observed between the model calculations and the simulated results.

  7. Study of the crystal structure of double ammonium hafnium sulfate of the (NH4)4Hf(SO4)4x4H2O composition

    International Nuclear Information System (INIS)

    Chalyj, V.P.; Sheka, I.A.; Fedoryako, L.I.; Fomenko, V.V.

    1978-01-01

    Two new double compounds of (NH 4 ) 2 Hf(SO 4 ) 3 x2H 2 O and (NH 4 ) 4 Hf(SO 4 ) 4 x4H 2 O have been studied. The second compound which forms needle transparent crystals of monoclinic singony, has been studied by the X-ray analysis. The unit cell parametres are as follows: a = 18.12(3), b = 14.89(3), c = 7.25(3) A, γ = 95.5 deg (5), spatial group P 2 /b, N=4. The first structure may be described as an islet structure. Besides basic valent bonds, it contains numerous intermolecular contacts and hydrogen bonds formed by water molecules and ammonium ions

  8. A simple approach to the synthesis of Cu1.8S dendrites with thiamine hydrochloride as a sulfur source and structure-directing agent

    Directory of Open Access Journals (Sweden)

    Xiaoliang Yan

    2015-04-01

    Full Text Available A facile, green and environmental-friendly method for preparing Cu1.8S dendrites was developed. Copper nitrate and thiamine hydrochloride were selected as the starting materials in the water phase under hydrothermal conditions. No addition of a surfactant or a complex reagent was required for the synthesis of the Cu1.8S dendrite structures. Thiamine hydrochloride was employed as a sulfur source and structure-directing agent. The growth mechanism of Cu1.8S is tentatively discussed based on the experimental and computational results.

  9. Structure and magnetic properties of double perovskites SrCaLnRuO6 (Ln = La, Pr, Nd)

    International Nuclear Information System (INIS)

    Sasaki, Akira; Doi, Yoshihiro; Hinatsu, Yukio

    2009-01-01

    Double perovskite compounds SrCaLnRuO 6 (Ln = La, Pr, Nd) were prepared as a single phase. X-ray diffraction measurements show that Ca 2+ and Ln 3+ ions are partially disordered at the A site and half of the B site of the perovskite ABO 3 , and that Ca 2+ /Ln 3+ and Ru 5+ ions are regularly ordered at the B site. These compounds should be represented by SrCa 1-x Ln x [Ln 1-x Ca x ]RuO 6 and x = 0.83-0.93 for Ln = La, Pr, and Nd. Magnetic and specific heat measurements show that any of these compounds orders antiferromagnetically at 10-12 K, which is due to the magnetic interactions between Ru 5+ ions. The analysis of the magnetic entropy change indicates that the ground states of Ru 5+ and Ln 3+ ions are both doublet.

  10. Effects of somatotrophic axis (GH/GHR) double transgenesis on structural and molecular aspects of the zebrafish immune system.

    Science.gov (United States)

    Batista, Carolina Reyes; Figueiredo, Marcio Azevedo; Almeida, Daniela Volcan; Romano, Luis Alberto; Marins, Luis Fernando

    2015-08-01

    The development of growth hormone (GH) transgenic fish has been shown to be a promising method to improve growth rates. However, the role of GH is not restricted only to processes involved in growth. Several others physiological processes, including immune function, are impaired due to GH imbalances. Given the importance of generating GH transgenic organisms for aquaculture purposes, it is necessary to develop strategies to reduce or compensate for the collateral effects of GH. We hypothesized that the generation of double transgenic fish that overexpress GH and growth hormone receptor (GHR) in the skeletal muscle could be a possible alternative to compensate for the deleterious effects of GH on the immune system. Specifically, we hypothesized that increased GHR amounts in the skeletal muscle would be able to reduce the level of circulating GH, attenuating the GH signaling on the immune cells while still increasing the growth rate. To test this hypothesis, we evaluated the size of the immune organs, T cell content in the thymus and head kidney, and expression of immune-related genes in double-transgenic fish. Contrary to our expectations, we found that the overexpression of GHR does not decrease the deleterious effect of GH excess on the size of the thymus and head kidney, and in the content of CD3(+) and CD4(+) cells in the thymus and head kidney. Unexpectedly, the control GHR transgenic group showed similar impairments in immune system parameters. These results indicate that GHR overexpression does not reverse the impairments caused by GH and, in addition, could reinforce the damage to the immune functions in GH transgenic zebrafish. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. SU-E-T-241: Monte Carlo Simulation Study About the Prediction of Proton-Induced DNA Strand Breakage On the Double Helix Structure

    Energy Technology Data Exchange (ETDEWEB)

    Shin, J; Park, S; Jeong, J; Jeong, C [National Cancer Center, Goyang, Gyeonggi-do (Korea, Republic of); Lim, Y; Lee, S [National Cancer Center in Korea, Goyang, Gyeonggi-do (Korea, Republic of); SHIN, D [National Cancer Center, Goyangsi, Gyeonggi-do (Korea, Republic of); Incerti, S [Universite Bordeaux 1, CNRS.IN2P3, Centres d’Etudes Nucleaires de Bordeau, Gradignan, Gradignan (France)

    2014-06-01

    Purpose: In particle therapy and radiobiology, the investigation of mechanisms leading to the death of target cancer cells induced by ionising radiation is an active field of research. Recently, several studies based on Monte Carlo simulation codes have been initiated in order to simulate physical interactions of ionising particles at cellular scale and in DNA. Geant4-DNA is the one of them; it is an extension of the general purpose Geant4 Monte Carlo simulation toolkit for the simulation of physical interactions at sub-micrometre scale. In this study, we present Geant4-DNA Monte Carlo simulations for the prediction of DNA strand breakage using a geometrical modelling of DNA structure. Methods: For the simulation of DNA strand breakage, we developed a specific DNA geometrical structure. This structure consists of DNA components, such as the deoxynucleotide pairs, the DNA double helix, the nucleosomes and the chromatin fibre. Each component is made of water because the cross sections models currently available in Geant4-DNA for protons apply to liquid water only. Also, at the macroscopic-scale, protons were generated with various energies available for proton therapy at the National Cancer Center, obtained using validated proton beam simulations developed in previous studies. These multi-scale simulations were combined for the validation of Geant4-DNA in radiobiology. Results: In the double helix structure, the deposited energy in a strand allowed to determine direct DNA damage from physical interaction. In other words, the amount of dose and frequency of damage in microscopic geometries was related to direct radiobiological effect. Conclusion: In this report, we calculated the frequency of DNA strand breakage using Geant4- DNA physics processes for liquid water. This study is now on-going in order to develop geometries which use realistic DNA material, instead of liquid water. This will be tested as soon as cross sections for DNA material become available in Geant4

  12. Crystal structure, electronic and magnetic properties of double perovskite Ba{sub 2}FeWO{sub 6}: A combined experimental–theoretical study

    Energy Technology Data Exchange (ETDEWEB)

    Musa Saad, H.-E., E-mail: musa.1964@gmail.com [Department of Physics, College of Science, Qassim University, P.O. 4466, Buraidah 51452 (Saudi Arabia); Rammeh, N. [Laboratoire de Physico-Chimie des Matériaux Minéraux et leurs Applications, Centre National de Recherches en Sciences des Matériaux, B. P. 95, Hammam-Lif 2050 (Tunisia)

    2016-01-15

    Double perovskite oxide Ba{sub 2}FeWO{sub 6} has been synthesized in polycrystalline form by the solid-state ceramic method at 950 °C. Structural characterization was performed by using the X-ray powder diffraction (XRD) and neutron powder diffraction (NPD) followed by Rietveld analysis of these patterns. The crystal structure of Ba{sub 2}FeWO{sub 6} is cubic; space group Fm-3m with lattice parameter of a=8.1351 Å. Also, a density functional theory (DFT) study of the crystal structure, electronic and magnetic properties of Ba{sub 2}FeWO{sub 6} has been carried out using full potential linear muffin-tin orbital (FP-LMTO). We showed that the obtained symmetry lattice parameter agree well with the experimental results. The influence of Fe element on the magnetic and electronic properties of double perovskite oxide Ba{sub 2}FeWO{sub 6} is analyzed. Band structure calculations for cubic Ba{sub 2}FeWO{sub 6} predict an energy-gap in both spin-up and spin-down. The semiconductor antiferromagnetic (AFM) phase is stabilized by the hybridization of nonmagnetic W{sup 6+} (5d°) site positioned in between the magnetic Fe{sup 2+} (3d{sup 6}) sites through the O{sup 2−} anions in a long range O–Fe–O–W–O arrangement. {sup 57}Fe Mössbaur spectrum and DFT calculations suggest that the AFM behavior arises since the mixed valence Fe{sup 2+}–Fe{sup 3+} effect introduces in Fe{sup 2+}–O{sup 2–}–W{sup 6+} anticoupling.

  13. Design and realization of one-dimensional double hetero-structure photonic crystals for infrared-radar stealth-compatible materials applications

    International Nuclear Information System (INIS)

    Wang, Zhixun; Cheng, Yongzhi; Nie, Yan; Wang, Xian; Gong, Rongzhou

    2014-01-01

    In this paper, a new type one-dimensional (1D) double hetero-structure composite photonic crystal (CPC) for infrared-radar stealth-compatible materials applications was proposed and studied numerically and experimentally. First, based on transfer matrix method of thin-film optical theory, the propagation characteristics of the proposed structure comprising a stack of different alternating micrometer-thick layers of germanium and zinc sulfide were investigated numerically. Calculation results exhibit that this 1D single hetero-structure PC could achieve a flat high reflectivity gradually with increasing the number of the alternating media layers in a single broadband range. Then, based on principles of distributed Bragg reflector micro-cavity, a 1D double hetero-structure CPC comprising four PCs with thickness of 0.797 μm, 0.592 μm, 1.480 μm, and 2.114 μm, respectively, was proposed. Calculation results exhibit that this CPC could achieve a high reflectance of greater than 0.99 in the wavelength ranges of 3–5 μm and 8–14 μm and agreed well with experiment. Further experiments exhibit that the infrared emissivity of the proposed CPC is as low as 0.073 and 0.042 in the wavelength ranges of 3–5 μm and 8–12 μm, respectively. In addition, the proposed CPC can be used to construct infrared-radar stealth-compatible materials due to its high transmittance in radar wave band

  14. Design and realization of one-dimensional double hetero-structure photonic crystals for infrared-radar stealth-compatible materials applications

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Zhixun; Cheng, Yongzhi, E-mail: cyz0715@126.com; Nie, Yan; Wang, Xian; Gong, Rongzhou, E-mail: rzhgong@mail.hust.edu.cn [School of Optical and Electronic Information, Huazhong University of Science and Technology, Wuhan 430074 (China)

    2014-08-07

    In this paper, a new type one-dimensional (1D) double hetero-structure composite photonic crystal (CPC) for infrared-radar stealth-compatible materials applications was proposed and studied numerically and experimentally. First, based on transfer matrix method of thin-film optical theory, the propagation characteristics of the proposed structure comprising a stack of different alternating micrometer-thick layers of germanium and zinc sulfide were investigated numerically. Calculation results exhibit that this 1D single hetero-structure PC could achieve a flat high reflectivity gradually with increasing the number of the alternating media layers in a single broadband range. Then, based on principles of distributed Bragg reflector micro-cavity, a 1D double hetero-structure CPC comprising four PCs with thickness of 0.797 μm, 0.592 μm, 1.480 μm, and 2.114 μm, respectively, was proposed. Calculation results exhibit that this CPC could achieve a high reflectance of greater than 0.99 in the wavelength ranges of 3–5 μm and 8–14 μm and agreed well with experiment. Further experiments exhibit that the infrared emissivity of the proposed CPC is as low as 0.073 and 0.042 in the wavelength ranges of 3–5 μm and 8–12 μm, respectively. In addition, the proposed CPC can be used to construct infrared-radar stealth-compatible materials due to its high transmittance in radar wave band.

  15. Crystal Structures of Human Group-VIIA Phospholipase A2 Inhibited by Organophosphorus Nerve Agents Exhibit Non-aged Complexes ☆,☆☆

    Science.gov (United States)

    Samanta, Uttamkumar; Kirby, Stephen D.; Srinivasan, Prabhavathi; Cerasoli, Douglas M.; Bahnson, Brian J.

    2009-01-01

    The enzyme group-VIIA phospholipase A2 (gVIIA-PLA2) is bound to lipoproteins in human blood and hydrolyzes the ester bond at the sn-2 position of phospholipid substrates with a short sn-2 chain. The enzyme belongs to a serine hydrolase superfamily of enzymes, which react with organophosphorus (OP) nerve agents. OPs ultimately exert their toxicity by inhibiting human acetycholinesterase at nerve synapses, but may additionally have detrimental effects through inhibition of other serine hydrolases. We have solved the crystal structures of gVIIA-PLA2 following inhibition with the OPs diisopropylfluorophosphate, sarin, soman and tabun. The sarin and soman complexes displayed a racemic mix of PR and PS stereoisomers at the P-chiral center. The tabun complex displayed only the PR stereoisomer in the crystal. In all cases, the crystal structures contained intact OP adducts that had not aged. Aging refers to a secondary process OP complexes can go through, which dealkylates the nerve agent adduct and results in a form that is highly resistant to either spontaneous or oxime-mediated reactivation. Non-aged OP complexes of the enzyme were corroborated by trypsin digest and matrix assisted laser desorption ionization mass spectrometry of OP-enzyme complexes. The lack of stereoselectivity of sarin reaction was confirmed by gas chromatography/mass spectrometry using a chiral column to separate and quantitate the unbound stereoisomers of sarin following incubation with enzyme. The structural details and characterization of nascent reactivity of several toxic nerve agents is discussed with a long term goal of developing gVIIA-PLA2 as a catalytic bioscavenger of OP nerve agents. PMID:19394314

  16. Ethical Leadership, Leader-Member Exchange and Feedback Seeking: A Double-Moderated Mediation Model of Emotional Intelligence and Work-Unit Structure

    Science.gov (United States)

    Qian, Jing; Wang, Bin; Han, Zhuo; Song, Baihe

    2017-01-01

    This research elucidates the role of ethical leadership in employee feedback seeking by examining how and when ethical leadership may exert a positive influence on feedback seeking. Using matched reports from 64 supervisors and 265 of their immediate employees from a hotel group located in a major city in China, we proposed and tested a moderated mediation model that examines leader-member exchange (LMX) as the mediator and emotional intelligence as well as work-unit structure as double moderators in the relationships between ethical leadership and followers’ feedback-seeking behavior from supervisors and coworkers. Our findings indicated that (1) LMX mediated the positive relationship between ethical leadership and feedback seeking from both ethical leaders and coworkers, and (2) emotional intelligence and work-unit structure served as joint moderators on the mediated positive relationship in such a way that the relationship was strongest when the emotional intelligence was high and work-unit structure was more of an organic structure rather than a mechanistic structure. PMID:28744251

  17. Bipolar characteristics of AlGaN/AlN/GaN/AlGaN double heterojunction structure with AlGaN as buffer layer

    International Nuclear Information System (INIS)

    Peng, Enchao; Wang, Xiaoliang; Xiao, Hongling; Wang, Cuimei; Yin, Haibo; Chen, Hong; Feng, Chun; Jiang, Lijuan; Hou, Xun; Wang, Zhanguo

    2013-01-01

    Highlights: •2DEG and 2DHG coexist in the AlGaN/AlN/GaN/AlGaN DH-structure. •The sheet densities of 2DEG and 2DHG vary with buffer Al content and GaN thickness. •The conditions for the disappearance of 2DHG are discussed. •Increasing buffer Al content provides better electron confinement. •Dislocation scattering is reduced in the DH-structure. -- Abstract: This is a theoretical study of AlGaN/AlN/GaN/AlGaN double heterojunction (DH) structure with AlGaN as buffer layer. Our calculation shows that as the buffer Al content increases, though two-dimensional electron gas (2DEG) sheet density decreases, the channel back-barrier caused by polarization-induced electric field in GaN provides better electron confinement. And under certain conditions the DH-structure shows bipolar characteristics, with an additional two-dimensional hole gas (2DHG) formed at GaN/AlGaN interface. The influence of the buffer Al content and GaN channel thickness on the 2DEG and 2DHG sheet densities are investigated, and the conditions for the disappearance of 2DHG are discussed. Also, the mobility inhibited by dislocation scattering is enhanced in DH-structure due to the enhancement of screening effect of the 2DEG

  18. Ethical Leadership, Leader-Member Exchange and Feedback Seeking: A Double-Moderated Mediation Model of Emotional Intelligence and Work-Unit Structure

    Directory of Open Access Journals (Sweden)

    Jing Qian

    2017-07-01

    Full Text Available This research elucidates the role of ethical leadership in employee feedback seeking by examining how and when ethical leadership may exert a positive influence on feedback seeking. Using matched reports from 64 supervisors and 265 of their immediate employees from a hotel group located in a major city in China, we proposed and tested a moderated mediation model that examines leader-member exchange (LMX as the mediator and emotional intelligence as well as work-unit structure as double moderators in the relationships between ethical leadership and followers’ feedback-seeking behavior from supervisors and coworkers. Our findings indicated that (1 LMX mediated the positive relationship between ethical leadership and feedback seeking from both ethical leaders and coworkers, and (2 emotional intelligence and work-unit structure served as joint moderators on the mediated positive relationship in such a way that the relationship was strongest when the emotional intelligence was high and work-unit structure was more of an organic structure rather than a mechanistic structure.

  19. Ethical Leadership, Leader-Member Exchange and Feedback Seeking: A Double-Moderated Mediation Model of Emotional Intelligence and Work-Unit Structure.

    Science.gov (United States)

    Qian, Jing; Wang, Bin; Han, Zhuo; Song, Baihe

    2017-01-01

    This research elucidates the role of ethical leadership in employee feedback seeking by examining how and when ethical leadership may exert a positive influence on feedback seeking. Using matched reports from 64 supervisors and 265 of their immediate employees from a hotel group located in a major city in China, we proposed and tested a moderated mediation model that examines leader-member exchange (LMX) as the mediator and emotional intelligence as well as work-unit structure as double moderators in the relationships between ethical leadership and followers' feedback-seeking behavior from supervisors and coworkers. Our findings indicated that (1) LMX mediated the positive relationship between ethical leadership and feedback seeking from both ethical leaders and coworkers, and (2) emotional intelligence and work-unit structure served as joint moderators on the mediated positive relationship in such a way that the relationship was strongest when the emotional intelligence was high and work-unit structure was more of an organic structure rather than a mechanistic structure.

  20. Three step double layers in the laboratory. [plasma physics

    Science.gov (United States)

    Bailey, Andrew, III; Hershkowitz, Noah

    1988-01-01

    A new class of stationary double layer structure, with three or more distinct steps, is demonstrated in the laboratory. A large monotonic potential increase results from a series of smaller double layers. In many respects, these double layer structures resemble those inferred from satellite measurements of auroral double layers. This new class of double layer appears to depend on turbulence for its existence and to be a hybrid structure, intermediate between anomalous resistivity and BGK double layers.

  1. Void Double Hull Space Type VLCC

    OpenAIRE

    Takehiko, Akiba; Kimio, Kitano; Yutaka, Yamauchi; Hisashi, Ito; Hiroyuki, Tsukuda; Hirohiko, Emi; Atsushi, Kumano; NKK Corporation; NKK Corporation; NKK Corporation; NKK Corporation; NKK Corporation; Research Institute; Research Institute

    1996-01-01

    Double hull structures for tankers became obligatory in 1993 in response to the ever present problem of oil spills. Use of the double hull space as ballast water tanks has resulted in new problems-an increased area of hull requiring maintenance, and the need for inspections and maintenance work in the cramped and unfavorable environment of the double hull spaces. As a solution to these problems, the authors have developed a new concept for double hulled tankers which involves the double hull ...

  2. Structure of a prereaction complex between the nerve agent sarin, its biological target acetylcholinesterase, and the antidote HI-6.

    Science.gov (United States)

    Allgardsson, Anders; Berg, Lotta; Akfur, Christine; Hörnberg, Andreas; Worek, Franz; Linusson, Anna; Ekström, Fredrik J

    2016-05-17

    Organophosphorus nerve agents interfere with cholinergic signaling by covalently binding to the active site of the enzyme acetylcholinesterase (AChE). This inhibition causes an accumulation of the neurotransmitter acetylcholine, potentially leading to overstimulation of the nervous system and death. Current treatments include the use of antidotes that promote the release of functional AChE by an unknown reactivation mechanism. We have used diffusion trap cryocrystallography and density functional theory (DFT) calculations to determine and analyze prereaction conformers of the nerve agent antidote HI-6 in complex with Mus musculus AChE covalently inhibited by the nerve agent sarin. These analyses reveal previously unknown conformations of the system and suggest that the cleavage of the covalent enzyme-sarin bond is preceded by a conformational change in the sarin adduct itself. Together with data from the reactivation kinetics, this alternate conformation suggests a key interaction between Glu202 and the O-isopropyl moiety of sarin. Moreover, solvent kinetic isotope effect experiments using deuterium oxide reveal that the reactivation mechanism features an isotope-sensitive step. These findings provide insights into the reactivation mechanism and provide a starting point for the development of improved antidotes. The work also illustrates how DFT calculations can guide the interpretation, analysis, and validation of crystallographic data for challenging reactive systems with complex conformational dynamics.

  3. Analysis of a double-pipe heat exchanger performance using heat structure coupling of MARS and CUPID

    International Nuclear Information System (INIS)

    Amidua, M.; Kim, H.; Cho, H. K.

    2015-01-01

    Thermal hydraulic phenomena in the inner tube of the double-pipe heat exchanger are expected to be reproducible by one-dimensional system analysis codes (MARS) if a proper condensation heat transfer coefficient is applied. Jeon et al (2013) and Cho et al (2013) conducted comprehensive reviews of the predictive capability of the condensation heat transfer models for the steam-water stratified flow. On the contrary, in the outer tube, a multidimensional analysis tool is required to incorporate the influence of azimuthal angle on the heat transfer rate from the inner tube outer wall to the outer tube fluid. Therefore, a coupled calculation between one dimensional system analysis code and a multidimensional computational fluid dynamics code is an attainable way to predict this effect with a reliable accuracy. CUPID is a three-dimensional computational multiphase fluid dynamics code developed by KAERI (Korea Atomic Energy Research Institute). According to Jeong et al (2010), the objective of the development is to support a resolution for the thermal hydraulic issues regarding the transient multi-dimensional twophase phenomena which can arise in an advanced light water reactor. It uses two-fluid model for the governing equations, which uses two sets of Navier-Stokes' equations for two phases. It can be used as either a typical CFD code or a component code (porous CFD code) depending on the length scale of the phenomena that need to be resolved. On the other hand, MARS is a best estimate thermalhydraulic system code and it was developed at KAERI by consolidating and restructuring the RELAP5/MOD3.2 code and COBRA-TF code (Cho et al., 2014). The MARS code has the capability to analyze best-estimated thermal hydraulic system. In this study, the coupled CUPID-MARS code was used for the simulation of a double-pipe heat exchanger. This paper presents the description of the heat exchanger, the coupling method, and the simulation results using the coupled code. The coupling

  4. Understanding the photoluminescence characteristics of Eu{sup 3+}-doped double-perovskite by electronic structure calculation

    Energy Technology Data Exchange (ETDEWEB)

    Ghosh, Binita [St. Paul’s Cathedral Mission College, 33/1Raja Rammohan Roy Road, Kolkata 700009 (India); Halder, Saswata; Sinha, T. P. [Department of Physics, Bose Institute, 93/1 Acharya Prafulla Chandra Road, Kolkata 700009 (India); Das, Sayantani [Department of Physics, University of Calcutta, 92 Acharya Prafulla Chandra Road, Kolkata 700009 (India)

    2016-05-23

    Europium-doped luminescent barium samarium tantalum oxide Ba{sub 2}SmTaO{sub 6} (BST) has been investigated by first-principles calculation, and the crystal structure, electronic structure, and optical properties of pure BST and Eu-doped BST have been examined and compared. Based on the calculated results, the luminescence properties and mechanism of Eu-doped BST has been discussed. In the case of Eu-doped BST, there is an impurity energy band at the Fermi level, which is formed by seven spin up energy levels of Eu and act as the luminescent centre, which is evident from the band structure calculations.

  5. Structure and Dynamics of DNA and RNA Double Helices Obtained from the GGGGCC and CCCCGG Hexanucleotide Repeats That Are the Hallmark of C9FTD/ALS Diseases.

    Science.gov (United States)

    Zhang, Yuan; Roland, Christopher; Sagui, Celeste

    2017-03-15

    A (GGGGCC) hexanucleotide repeat (HR) expansion in the C9ORF72 gene, and its associated antisense (CCCCGG) expansion, are considered the major cause behind frontotemporal dementia and amyotrophic lateral sclerosis. We have performed molecular dynamics simulations to characterize the conformation and dynamics of the 12 duplexes that result from the three different reading frames in sense and antisense HRs for both DNA and RNA. These duplexes display atypical structures relevant not only for a molecular level understanding of these diseases but also for enlarging the repertoire of nucleic-acid structural motifs. G-rich helices share common features. The inner G-G mismatches stay inside the helix in G syn -G anti conformations and form two hydrogen bonds (HBs) between the Watson-Crick edge of G anti and the Hoogsteen edge of G syn . In addition, G syn in RNA forms a base-phosphate HB. Inner G-G mismatches cause local unwinding of the helix. G-rich double helices are more stable than C-rich helices due to better stacking and HBs of G-G mismatches. C-rich helix conformations vary wildly. C mismatches flip out of the helix in DNA but not in RNA. Least (most) stable C-rich RNA and DNA helices have single (double) mismatches separated by two (four) Watson-Crick basepairs. The most stable DNA structure displays an "e-motif" where mismatched bases flip toward the minor groove and point in the 5' direction. There are two RNA conformations, where the orientation and HB pattern of the mismatches is coupled to bending of the helix.

  6. Investigation of double vacuum arc melted zirconium alloy E110 and E125 structural condition using radioactive tracers

    International Nuclear Information System (INIS)

    Shikov, A.; Aryakova, V.; Fedotov, S.; Ermakova, L.; Lositskij, A.; Dubrovskij, V.; Bessonov, O.; Shtutsa, M.

    2000-01-01

    In vacuum arc melted zirconium alloy ingots two radioactive tracers, 185 W and 14 C, were used to study the structure of casts and the behaviour of substitution and interstitial impurities on crystallization, respectively. (A.K.)

  7. Influence of anisotropic ion shape, asymmetric valency, and electrolyte concentration on structural and thermodynamic properties of an electric double layer

    Directory of Open Access Journals (Sweden)

    M. Kaja

    2016-02-01

    Full Text Available Grand canonical Monte Carlo simulation results are reported for an electric double layer modelled by a planar charged hard wall, anisotropic shape cations, and spherical anions at different electrolyte concentrations and asymmetric valencies. The cations consist of two tangentially tethered hard spheres of the same diameter, d. One sphere is charged while the other is neutral. Spherical anions are charged hard spheres of diameter d. The ion valency asymmetry 1:2 and 2:1 is considered, with the ions being immersed in a solvent mimicked by a continuum dielectric medium at standard temperature. The simulations are carried out for the following electrolyte concentrations: 0.1, 1.0 and 2.0 M. Profiles of the electrode-ion, electrode-neutral sphere singlet distributions, the average orientation of dimers, and the mean electrostatic potential are calculated for a given electrode surface charge, σ, while the contact electrode potential and the differential capacitance are presented for varying electrode charge. With an increasing electrolyte concentration, the shape of differential capacitance curve changes from that with a minimum surrounded by maxima into that of a distorted single maximum. For a 2:1 electrolyte, the maximum is located at a small negative σ value while for 1:2, at a small positive value.

  8. Synthesis and quantitative structure-activity relationship (QSAR) study of novel N-arylsulfonyl-3-acylindole arylcarbonyl hydrazone derivatives as nematicidal agents.

    Science.gov (United States)

    Che, Zhiping; Zhang, Shaoyong; Shao, Yonghua; Fan, Lingling; Xu, Hui; Yu, Xiang; Zhi, Xiaoyan; Yao, Xiaojun; Zhang, Rui

    2013-06-19

    In continuation of our program aimed at the discovery and development of natural-product-based pesticidal agents, 54 novel N-arylsulfonyl-3-acylindole arylcarbonyl hydrazone derivatives were prepared, and their structures were well characterized by ¹H NMR, ¹³C NMR, HRMS, ESI-MS, and mp. Their nematicidal activity was evaluated against that of the pine wood nematode, Bursaphelenchus xylophilus in vivo. Among all of the derivatives, especially V-12 and V-39 displayed the best promising nematicidal activity with LC₅₀ values of 1.0969 and 1.2632 mg/L, respectively. This suggested that introduction of R¹ and R² together as the electron-withdrawing substituents, R³ as the methyl group, and R⁴ as the phenyl with the electron-donating substituents could be taken into account for further preparation of these kinds of compounds as nematicidal agents. Six selected descriptors are a WHIM descriptor (E1m), two GETAWAY descriptors (R1m+ and R3m+), a Burden eigenvalues descriptor (BEHm8), and two edge-adjacency index descriptors (EEig05x and EEig13d). Quantitative structure-activity relationship (QSAR) studies demonstrated that the structural factors, such as molecular mass (a negative correlation with the bioactivity) and molecular polarity (a positive correlation with bioactivity), are likely to govern the nematicidal activities of these compounds. For this model, the correlation coefficient (R²(training set)), the leave-one-out cross-validation correlation coefficient (Q²(LOO)), and the 7-fold cross-validation correlation coefficient (Q²(7-fold)) were 0.791, 0.701, and 0.715, respectively. The external cross-validation correlation coefficient (Q²ext) and the root-mean-square error for the test set (RMSE(test set)) were 0.774 and 3.412, respectively. This study will pave the way for future design, structural modification, and development of indole derivatives as nematicidal agents.

  9. Structural Equation Model as a Tool to Assess the Relationship Between Grain Yield Per Plant and Yield Components in Doubled Haploid Spring Barley Lines (Hordeum vulgare L.

    Directory of Open Access Journals (Sweden)

    Mańkowski Dariusz R.

    2016-06-01

    Full Text Available The aim of this study was to describe and characterize the relationships between yielding factors and grain yield per doubled haploid (DH plant of spring barley as well as relation between yield components and duration of each stage of plant development. To describe these relations structure equation modeling was used. The study included plants of doubled haploid spring barley lines (Hordeum vulgare L. derived from two-rowed form of Scarlett cultivar. The SAS® system was used to analyze the model of relationships between grain yield per plant and yield components. Our results indicate that the number of spikes per plant and grain yield per spike had a direct and decisive influence on the grain yield of the investigated DH plants of spring barley. Based on the path model analysis it was found that the most important factor determining grain yield per DH plants of spring barley was the number of spikes per plant and the duration of tillering and shooting stages.

  10. Reorientation of the diagonal double-stripe spin structure at Fe1+yTe bulk and thin-film surfaces

    Science.gov (United States)

    Hänke, Torben; Singh, Udai Raj; Cornils, Lasse; Manna, Sujit; Kamlapure, Anand; Bremholm, Martin; Hedegaard, Ellen Marie Jensen; Iversen, Bo Brummerstedt; Hofmann, Philip; Hu, Jin; Mao, Zhiqiang; Wiebe, Jens; Wiesendanger, Roland

    2017-01-01

    Establishing the relation between ubiquitous antiferromagnetism in the parent compounds of unconventional superconductors and their superconducting phase is important for understanding the complex physics in these materials. Going from bulk systems to thin films additionally affects their phase diagram. For Fe1+yTe, the parent compound of Fe1+ySe1-xTex superconductors, bulk-sensitive neutron diffraction revealed an in-plane oriented diagonal double-stripe antiferromagnetic spin structure. Here we show by spin-resolved scanning tunnelling microscopy that the spin direction at the surfaces of bulk Fe1+yTe and thin films grown on the topological insulator Bi2Te3 is canted out of the high-symmetry directions of the surface unit cell resulting in a perpendicular spin component, keeping the diagonal double-stripe order. As the magnetism of the Fe d-orbitals is intertwined with the superconducting pairing in Fe-based materials, our results imply that the superconducting properties at the surface of the related superconducting compounds might be different from the bulk.

  11. Ferromagnetic interactions in new double end-on-azide-bridged dinuclear Ni(II) complex: Synthesis, crystal structures, magnetic and photoluminescence properties

    Science.gov (United States)

    Donmez, Adem; Oylumluoglu, Gorkem; Coban, M. Burak; Kocak, Cagdas; Aygun, Muhittin; Kara, Hulya

    2017-12-01

    A new double end-on azide-bridged dinuclear nickel(II) Schiff base complex, [Ni2(μ1,1-N3)2(HL)2(MeOH)2], [HL = 2-[(2-hydroxypropylimino)methyl)-3,5-chlorophenol] has been synthesized and characterized by elemental analysis, UV and IR spectroscopy, single crystal X-ray diffraction, magnetic and photoluminescence study. The asymmetric unit contains half of the dinuclear unit. The Ni(HL) units in each dinuclear molecule are connected to each other by two bridging end-on azide ligands. In the crystalline architecture of the Ni(II) complex, intermolecular Osbnd H⋯N hydrogen bonds link the molecules which form one-dimensional structure. Additionally, low temperature magnetic measurements indicate a dominant intradimer ferromagnetic interactions in double end-on azide-bridged dinuclear Ni(II) complex. Room temperature solid state photoluminescence measurements of Ni(II) complex show strong green emission band at λmax = 508 nm while its free ligand H2L shows broad yellow emission band at λmax = 594 nm. The luminescent performances making Ni(II) complex may be good candidates for potential luminescence materials.

  12. Aristotle and Double Effect

    DEFF Research Database (Denmark)

    Di Nucci, Ezio

    2014-01-01

    cases from the literature on double effect such as, amongst others, strategic bombing, the trolley problem, and craniotomy. I find that, despite some common features such as the dilemmatic structure and the inevitability of a bad effect, Aristotle’s mixed actions do not count as cases justifiable...

  13. Subatmospheric double containment system

    International Nuclear Information System (INIS)

    Gans, D. Jr.; Noble, J.H.

    1978-01-01

    A reinforced concrete double wall nuclear containment structure with each wall including an essentially impervious membrane or liner and porous concrete filling the annulus between the two walls is described. The interior of the structure is maintained at subatmospheric pressure, and the annulus between the two walls is maintained at a subatmospheric pressure intermediate between that of the interior and the surrounding atmospheric pressure, during normal operation. In the event of an accident within the containment structure the interior pressure may exceed atmospheric pressure, but leakage from the interior to the annulus between the double walls will not result in the pressure of the annulus exceeding atmospheric pressure so that there is no net outleakage from the containment structure

  14. Structural Analysis and Bioengineering of Thermostable Pyrococcus furiosus Prolidase for the Optimization of Organophosphorus Nerve Agent Detoxification

    Science.gov (United States)

    2012-04-26

    random mutation and low-temperature selection method was successfully used. (a) Papers published in peer-reviewed journals (N/A for none) Enter List...this end, a random mutation and low-temperature selection method was successfully used. Table of Contents Forward …………………………………………………… Page 1...respiratory complications, respiratory failure, coma and death. OP compounds exist mainly in the form of pesticides and chemical warfare agents (CWAs

  15. Functional outcomes and structural integrity after double-pulley suture bridge rotator cuff repair using serial ultrasonographic examination.

    Science.gov (United States)

    Choi, Chang-Hyuk; Kim, Shin-Kun; Cho, Myung-Rae; Baek, Seung-Hoon; Lee, Jae-Kun; Kim, Se-Sik; Park, Chang-Min

    2012-12-01

    We evaluated the integrity and functional outcomes of rotator cuff tear after performing the double-pulley suture bridge (DPSB) repair technique according to the tear size by using serial ultrasonographic examinations. The study included 41 consecutive arthroscopic rotator repairs using the DPSB technique. The average follow-up was 28 months. We completed the serial ultrasonographic examinations and compared the results with the functional outcome using the American Shoulder and Elbow Surgeons (ASES) score, the Constant score, the Korean Shoulder Scoring (KSS) system, and the University of California, Los Angeles (UCLA) score. The overall retear rate was 19.5% (8 of 41), comprising 50% (2 of 4) for massive tears, 18% (2 of 11) for large tears, 17% (4 of 23) for medium tears, and no failures for small tears (0 of 3). The retear rate was 17.6% (6 of 34) after complete repair and 28.6% (2 of 7) after repair with gap formation. Seventy-five percent (6 of 8) of retears were identified within 6 months after operation and 25% (2 of 8) were identified more than 1 year after repair. The functional outcomes of the intact group and the retear group according to the ASES score, the Constant score, the KSS, and the UCLA score were 96, 93, 94, and 33, and 90, 82, 87, and 31, respectively (P > .05). The overall retear rate after DPSB repair was 19.5% with 2 time periods of retear. The outcome improved independent of the tear size and the cuff integrity. Copyright © 2012 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Mosby, Inc. All rights reserved.

  16. Hole-level structure of double {delta}-doped quantum wells in Si: The influence of the split-off band

    Energy Technology Data Exchange (ETDEWEB)

    Rodriguez-Vargas, I. [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, Col. Chamilpa, 62210 Cuernavaca, Mor. (Mexico); Gaggero-Sager, L.M. [Facultad de Ciencias, Universidad Autonoma del Estado de Morelos, Av. Universidad 1001, Col. Chamilpa, 62210 Cuernavaca, Mor. (Mexico)]. E-mail: lgaggero@buzon.uaem.mx

    2007-02-15

    We present the electronic structure calculation of two closely p-type {delta}-doped quantum wells within the lines of the Thomas-Fermi-Dirac (TFD) theory. The distance between the impurity planes as well as the impurity density of the {delta}-doped wells is varied. The exchange effects are also considered in the present study. We have paid special attention to the split-off band and its influence on the subband hole levels. We also calculate the mobility ratio of double {delta}-doped (DDD) quantum wells in Si with respect to a single {delta}-doped (SDD) one, finding the optimum distance between the wells for maximum mobility. Our results are in a good agreement with respect to the experimental data available.

  17. High-pressure synthesis, structural and complex magnetic properties of the ordered double perovskite Pb2NiReO6.

    Science.gov (United States)

    Stoyanova-Lyubenova, Teodora; Dos santos-García, Antonio J; Urones-Garrote, Esteban; Torralvo, María José; Alario-Franco, Miguel Á

    2014-01-21

    The ordered double perovskite Pb2NiReO6 has been prepared at 6 GPa and temperatures ranging from 1273 to 1373 K. Its crystal structure determined by X-ray powder diffraction and selected area electron diffraction shows monoclinic symmetry with centrosymmetric space group I2/m (a = 5.6021(1) Å, b = 5.6235(1) Å, c = 7.9286(1) Å and β = 90.284°(1)). High angle annular dark field microscopy studies reveal the existence of compositional microdomains. The compound displays a re-entrant spin-glass transition from a ferrimagnetic ordering below T(N) ~ 37 K between the Re(+5) and Ni(+3) (high spin configuration) magnetic sublattices to a spin-glass configuration. Magnetic field dependent magnetization measurements revealed wasp-waisted hysteresis loops at 5 K. These shaped features originate from the antiferromagnetic/ferromagnetic (AFM/FM) competing interactions.

  18. Reducing agent (NaBH4) dependent structure, morphology and magnetic properties of nickel ferrite (NiFe2O4) nanorods

    Science.gov (United States)

    Saravanakumar, B.; Rani, B. Jansi; Ravi, G.; Thambidurai, M.; Yuvakkumar, R.

    2017-04-01

    Nickel ferrite (Ni-Fe2O4) nanorods were synthesized employing a simple chemical reduction method. Reducing agent (NaBH4) influence on structural, morphological and magnetic properties of NiFe2O4 nanorods was investigated. XRD results clearly revealed the presence of inverse cubic spinel nickel ferrite structure characteristic peaks and confirmed the site inversion of inverse spinel structure of Fe3+ tetrahedral A site and Ni2+ octahedral B site. The observed Raman characteristic peak at 488 and 683 cm-1 were corresponded to E1 g and A1 g mode whereas A and B site respectively corresponded to tetrahedral and octahedral site of NiFe2O4 inverse spinel structure. The obtained PL peaks at 530 and 542 nm were attributed to the emission spectra of Fe3+ ions in site A of inverse spinel structure and Ni2+ ions in site B of inverse spinel structure respectively. SEM result clearly revealed that increase in NaBH4 concentration had remarkable impact on nanorods formation, nano-octahedron structure, homogeneity and regularity of Ni-Ferrites. VSM studies clearly revealed the soft ferromagnetic nature of NiFe2O4 and increase in NaBH4 concentration further induced raise in metal cations concentration in A- and B- site which might impact the resultant magnetization of ferrites.

  19. Structure of the replicative form of bacteriophage φX174 : VI. Studies on alkali-denatured double-stranded φX DNA

    NARCIS (Netherlands)

    Pouwels, P.H.; Knijnenburg, C.M.; Rotterdam, J. van; Cohen, J.A.; Jansz, H.S.

    1968-01-01

    Double-stranded φX DNA which accumulates after infection with bacteriophage φX174 in the presence of chloramphenicol consists mainly of twisted circular double-stranded DNA with no single-strand breaks (component I) and of circular double-stranded DNA, in which single-strand breaks are present

  20. Noncanonical structures and their thermodynamics of DNA and RNA under molecular crowding: beyond the Watson-Crick double helix.

    Science.gov (United States)

    Sugimoto, Naoki

    2014-01-01

    How does molecular crowding affect the stability of nucleic acid structures inside cells? Water is the major solvent component in living cells, and the properties of water in the highly crowded media inside cells differ from that in buffered solution. As it is difficult to measure the thermodynamic behavior of nucleic acids in cells directly and quantitatively, we recently developed a cell-mimicking system using cosolutes as crowding reagents. The influences of molecular crowding on the structures and thermodynamics of various nucleic acid sequences have been reported. In this chapter, we discuss how the structures and thermodynamic properties of nucleic acids differ under various conditions such as highly crowded environments, compartment environments, and in the presence of ionic liquids, and the major determinants of the crowding effects on nucleic acids are discussed. The effects of molecular crowding on the activities of ribozymes and riboswitches on noncanonical structures of DNA- and RNA-like quadruplexes that play important roles in transcription and translation are also described. © 2014 Elsevier Inc. All rights reserved.

  1. Structure-based design, synthesis and molecular modeling studies of thiazolyl urea derivatives as novel anti-parkinsonian agents.

    Science.gov (United States)

    Azam, Faizul; Prasad, Medapati Vijaya Vara; Thangavel, Neelaveni; Shrivastava, Anil Kumar; Mohan, Govind

    2012-11-01

    Synthesis of 1-(substituted aryl)-3-(thiazol-2-yl)urea derivatives was undertaken as our efforts to discover novel antiparkinsonian agents with improved pharmacological profile in haloperidol-induced catalepsy and oxidative stress in mice. Furfuryl, 2- and/or 3-methoxy substituted phenyl derivatives emerged as potent agents. With exception of 2-chloro,5-trifluoromethyl substituted analog, halogen substituted derivatives exhibited moderate antiparkinsonian activity. The results of biochemical investigations from brain homogenate of mice outline the importance of neuroprotective/antioxidant therapy for Parkinson's disease (PD), supporting the notion that the oxidative stress may play a significant role in the pathophysiological mechanisms underlying PD. Molecular docking studies of these compounds with adenosine A(2A) receptor exhibited very good binding interactions and warrants further studies to confirm their binding with human A(2A) receptor for the design and development of potent antagonists. Parameters for Lipinski's rule of 5 were calculated computationally because pharmacokinetic and metabolic behaviors in the body often are linked to the physical properties of a compound. None of the synthesized compounds violated Lipinski's rule, making them suitable drug candidate for the treatment of PD.

  2. Effect of Amount of 3-Methacryloxy Propyl Thrimethoxysilane Coupling Agent and Nano Filling Structure on Physic-Mechanical Properties of Dental Resin Composite

    Directory of Open Access Journals (Sweden)

    Farbod Tondnevis

    2017-07-01

    Full Text Available Many researchers in the field of dental polymeric base nano composite investigated the effect filling morphology and filling material content on mechanical and physical properties of construction after setting reaction. Our present study concentrated on the effect of ϒ metacryloxy propyloxt tri metoxy silane (ϒ MPS content as coupling agent (orgnic material on physical and mechanical performance of nano composite material. It was shown that despite of contraction after setting reaction, all this properties improved and efficient silanization can efficiently affect structural integrity of dental filling nano composite

  3. Relationship between the structure of polymer network using glutaraldehyde crosslinking agent and physico-mechanical properties of biopolymer membrane based on polyvinyl alcohol (PVA) modified with cassava starch

    International Nuclear Information System (INIS)

    Nguyen Huong Hao; Pham The Trinh; Mai Van Tien; Nguyen Huy Tung; Nguyen Thi Thanh Nhan

    2015-01-01

    The relationship between network structure and the properties of starch modified PVA membrane, such as the relationship between the crosslinking density (n), the average molecular weight of crosslink (M c ), the mesh size (ξ) to the crystallinity were investigated. The increasing of glutaraldehyde crosslinking agent decreases the molecular weight between crosslink (M c ) rapidly from 8985 g/mol to 1950 g/mol and the mesh size from 613 Å to 227 Å. Salicylic diffusion coefficient of the membrane was determined to be 4.15 x 10 cm 2 /s. This was proven that PVA/TBS membrane was able to have permeable molecules that contained bulky functional groups. (author)

  4. Electronic Structure, Optical and Transport Properties of Double Perovskite La2NbMnO6: A Theoretical Understanding from DFT Calculations

    Science.gov (United States)

    Parrey, Khursheed Ahmad; Khandy, Shakeel Ahmad; Islam, Ishtihadah; Laref, Amel; Gupta, Dinesh C.; Niazi, Asad; Aziz, Anver; Ansari, S. G.; Khenata, R.; Rubab, Seemin

    2018-03-01

    Double perovskite La2NbMnO6 was systematically studied using the first-principles calculations. The structural, electronic, optical and transport properties of this compound were calculated. Spin resolved band structure predicted this material as a half-metal with an energy gap of 3.75 eV in spin down state. The optical coefficients including optical conductivity, reflectivity and electron energy loss are calculated for photon energy up to 30.00 eV to understand the optical response of this perovskite. The strong absorption of all the ultraviolet and infrared frequencies of the spectrum by this material may suggest the potential application of this material for the optoelectronic devices in ultraviolet and infra-red region. Also, the thermoelectric properties with a speculation from the half-metallic electronic structure are reported. Subsequently, the Seebeck coefficient, electrical and thermal conductivity coefficients are calculated to predict the thermoelectric figure of merit (zT), the maximum of which is found out to be 0.14 at 800 K.

  5. Effect of Chromatin Structure on the Extent and Distribution of DNA Double Strand Breaks Produced by Ionizing Radiation; Comparative Study of hESC and Differentiated Cells Lines.

    Science.gov (United States)

    Venkatesh, Priyanka; Panyutin, Irina V; Remeeva, Evgenia; Neumann, Ronald D; Panyutin, Igor G

    2016-01-02

    Chromatin structure affects the extent of DNA damage and repair. Thus, it has been shown that heterochromatin is more protective against DNA double strand breaks (DSB) formation by ionizing radiation (IR); and that DNA DSB repair may proceed differently in hetero- and euchromatin regions. Human embryonic stem cells (hESC) have a more open chromatin structure than differentiated cells. Here, we study the effect of chromatin structure in hESC on initial DSB formation and subsequent DSB repair. DSB were scored by comet assay; and DSB repair was assessed by repair foci formation via 53BP1 antibody staining. We found that in hESC, heterochromatin is confined to distinct regions, while in differentiated cells it is distributed more evenly within the nuclei. The same dose of ionizing radiation produced considerably more DSB in hESC than in differentiated derivatives, normal human fibroblasts; and one cancer cell line. At the same time, the number of DNA repair foci were not statistically different among these cells. We showed that in hESC, DNA repair foci localized almost exclusively outside the heterochromatin regions. We also noticed that exposure to ionizing radiation resulted in an increase in heterochromatin marker H3K9me3 in cancer HT1080 cells, and to a lesser extent in IMR90 normal fibroblasts, but not in hESCs. These results demonstrate the importance of chromatin conformation for DNA protection and DNA damage repair; and indicate the difference of these processes in hESC.

  6. CRISPR-CAS9 D10A nickase target-specific fluorescent labeling of double strand DNA for whole genome mapping and structural variation analysis.

    Science.gov (United States)

    McCaffrey, Jennifer; Sibert, Justin; Zhang, Bin; Zhang, Yonggang; Hu, Wenhui; Riethman, Harold; Xiao, Ming

    2016-01-29

    We have developed a new, sequence-specific DNA labeling strategy that will dramatically improve DNA mapping in complex and structurally variant genomic regions, as well as facilitate high-throughput automated whole-genome mapping. The method uses the Cas9 D10A protein, which contains a nuclease disabling mutation in one of the two nuclease domains of Cas9, to create a guide RNA-directed DNA nick in the context of an in vitro-assembled CRISPR-CAS9-DNA complex. Fluorescent nucleotides are then incorporated adjacent to the nicking site with a DNA polymerase to label the guide RNA-determined target sequences. This labeling strategy is very powerful in targeting repetitive sequences as well as in barcoding genomic regions and structural variants not amenable to current labeling methods that rely on uneven distributions of restriction site motifs in the DNA. Importantly, it renders the labeled double-stranded DNA available in long intact stretches for high-throughput analysis in nanochannel arrays as well as for lower throughput targeted analysis of labeled DNA regions using alternative methods for stretching and imaging the labeled long DNA molecules. Thus, this method will dramatically improve both automated high-throughput genome-wide mapping as well as targeted analyses of complex regions containing repetitive and structurally variant DNA. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

  7. Proximity phenomena in double-barrier structure NbZr/NbOx/Al/AlOy/NbZr

    International Nuclear Information System (INIS)

    Plecenik, A.; Gasi, S.; Zuzcak, M.; Benacka, S.

    1999-01-01

    A tunneling structures NbZr/NbO x /Al/AlO y /NbZr with a thin barrier in the NbZr/NbO x /Al junction and 4 to 6-nm-thick Al interlayer were prepared and studied experimentally. A proximity effect between NbZr and Al through NbO x barrier has been observed. An electrical voltage was generated in the NbO x barrier and a coexistence of the proximity effect and applied voltage in the junction NbZr/NbO x /Al has been observed. This experiment could be described on the basis of a model for coherent charge transport in superconducting/normal proximity structures

  8. Gemini Surfactants Based on Bis-Imidazolium Alkoxy Derivatives as Effective Agents for Delivery of Nucleic Acids: A Structural and Spectroscopic Study.

    Science.gov (United States)

    Pietralik, Zuzanna; Kołodziejska, Żaneta; Weiss, Marek; Kozak, Maciej

    2015-01-01

    The success rate of gene therapy depends on the efficient transfection of genetic material into cells. The golden mean between harmlessness and high effectiveness can be provided by synthetic lipid-like molecules that are similar to the components of biological membranes. Cationic gemini surfactants are one such moiety and because of their favourable physicochemical properties (double positive electric charge, reduced toxicity, low values of critical micelle concentration), they show great potential as delivery system components for genetic material in gene therapy. The aim of this study was to investigate the process of the complexation of cationic gemini surfactants with nucleic acids: double-stranded DNA of different sizes (21 bp, ~185 bp, ~20 kbp) and siRNA (21 bp). The tested series of dicationic surfactants consists of bis-imidazolium quaternary salts with varying lengths of hydrophobic side chains (m = 5, 6, 7, 8, 9, 11, 12, 14, 16). On the basis of the data obtained by circular dichroism spectroscopy and electrophoresis, we concluded that the studied gemini surfactants with long side chains effectively bind nucleic acids at low concentrations, which leads to the formation of stable lipoplexes. Images obtained by atomic force microscopy also confirmed the formation of vesicular structures, i.e., complexes between DNA and surfactants. The cytotoxicity of selected surfactants was also tested on HeLa cells. The surfactant toxicity significantly depends on surfactant geometry (the length of hydrophobic chain).

  9. Gemini Surfactants Based on Bis-Imidazolium Alkoxy Derivatives as Effective Agents for Delivery of Nucleic Acids: A Structural and Spectroscopic Study

    Science.gov (United States)

    Pietralik, Zuzanna; Kołodziejska, Żaneta; Weiss, Marek; Kozak, Maciej

    2015-01-01

    The success rate of gene therapy depends on the efficient transfection of genetic material into cells. The golden mean between harmlessness and high effectiveness can be provided by synthetic lipid-like molecules that are similar to the components of biological membranes. Cationic gemini surfactants are one such moiety and because of their favourable physicochemical properties (double positive electric charge, reduced toxicity, low values of critical micelle concentration), they show great potential as delivery system components for genetic material in gene therapy. The aim of this study was to investigate the process of the complexation of cationic gemini surfactants with nucleic acids: double-stranded DNA of different sizes (21 bp, ~185 bp, ~20 kbp) and siRNA (21 bp). The tested series of dicationic surfactants consists of bis-imidazolium quaternary salts with varying lengths of hydrophobic side chains (m = 5, 6, 7, 8, 9, 11, 12, 14, 16). On the basis of the data obtained by circular dichroism spectroscopy and electrophoresis, we concluded that the studied gemini surfactants with long side chains effectively bind nucleic acids at low concentrations, which leads to the formation of stable lipoplexes. Images obtained by atomic force microscopy also confirmed the formation of vesicular structures, i.e., complexes between DNA and surfactants. The cytotoxicity of selected surfactants was also tested on HeLa cells. The surfactant toxicity significantly depends on surfactant geometry (the length of hydrophobic chain). PMID:26641889

  10. Preparation of polymer nanocomposite materials based on unsaturated polyester resin and nanosilica A200. Part II - Structural and properties of polymer nanocomposite materials based on unsaturated polyester resin and nanosilica A200 with coupling agent

    International Nuclear Information System (INIS)

    Trinh Minh Dat; Bui Chuong; Bach Trong Phuc; Dinh Van Kai; Luu Van Khue

    2012-01-01

    Effects of coupling agent on the structures and properties of nanocomposite materials based on unsaturated polyester resin and A200 silica nanoparticles were investigated. The viscosity of the resin/A200 silica mixtures increased with increasing coupling agent content because of forming core-shell structures and the mechanical properties of polymer nanocomposites generally were better than those without coupling agent and appeared a maximum in mechanical properties at 4.0 wt% coupling agent content. IR analyze indicated that the coupling agent had reacted with unsaturated polyester resin and A200 silica nanoparticles. SEM, Fe-SEM and TG-SDC demonstrated more homogeneous dispersion of A200 silica nanoparticles in the polymer matrix and accompanied by lower glass transition temperature and melt temperature. Furthermore, it was also found that the best dispersion route involved a methanol dispersion technique. (author)

  11. Crayfish as trophic agents: Effect of Austropotamobius torrentium on zoobenthos structure and function in small forest streams

    OpenAIRE

    Weinländer M.; Füreder L.

    2011-01-01

    Crayfish are among the largest and most threatened invertebrates in freshwater habitats. Due to their size, behaviour and feeding activity they may affect structure and function of aquatic ecosystems and their organisms. Despite their importance in many freshwaters and available information on their ecology for several species little is known about the European crayfish Austropotamobius torrentium. In order to evaluate the potential effects of indigenous crayfish presence on the structural an...

  12. Double ambidexterity

    DEFF Research Database (Denmark)

    Kaulio, Matti; Thorén, Kent; Rohrbeck, René

    2017-01-01

    We leverage the business model innovation and ambidexterity literature to investigate a contradictory case, the Swedish-Finnish Telecom operator TeliaSonera. Despite being challenged by three major disruptions, the company not only still exists but also enjoys remarkably good financial performance...... this behaviour as double ambidexterity. We use an in-depth case study to conceptualize double ambidexterity and discuss its impact on the business's survival and enduring success........ Building on extant archival data and interviews, we carefully identify and map 26 organizational responses during 1992–2016. We find that the firm has overcome three critical phases by experimenting and pioneering with portfolios of business models and/or technological innovations. We describe...

  13. Double Chooz

    Energy Technology Data Exchange (ETDEWEB)

    Buck, Christian [Max-Planck-Institut fuer Kernphysik, Saupfercheckweg 1, D-69117 Heidelberg (Germany)

    2006-05-15

    The goal of the Double Chooz reactor neutrino experiment is to search for the neutrino mixing parameter {theta}{sub 13}. Double Chooz will use two identical detectors at 150 m and 1.05 km distance from the reactor cores. The near detector is used to monitor the reactor {nu}-bar {sub e} flux while the second is dedicated to the search for a deviation from the expected (1/distance){sup 2} behavior. This two detector concept will allow a relative normalization systematic error of ca. 0.6 %. The expected sensitivity for sin{sup 2}2{theta}{sub 13} is then in the range 0.02 - 0.03 after three years of data taking. The antineutrinos will be detected in a liquid scintillator through the capture on protons followed by a gamma cascade, produced by the neutron capture on Gd.

  14. Structured cues or modafinil for fatigue amelioration in clinicians? A double-blind, randomized controlled trial of critical clinical information recall in fatigued clinicians.

    Science.gov (United States)

    Flindall, Ian; Leff, Daniel Richard; Goodship, Jonathan; Sugden, Colin; Darzi, Ara

    2016-04-01

    To evaluate the impact of modafinil on "free" and "cued" recall of clinical information in fatigued but nonsleep-deprived clinicians. Despite attempts to minimize sleep deprivation through redesign of the roster of residents and staff surgeons, evidence suggests that fatigue remains prevalent. The wake-promoting agent modafinil improves cognition in the sleep-deprived fatigued state and may improve information recall in fatigued nonsleep-deprived clinicians. Twenty-four medical undergraduates participated in a double-blind, parallel, randomized controlled trial (modafinil-200 mg:placebo). Medication was allocated 2 hours before a 90-minute fatigue-inducing, continuous performance task (dual 2-back task). A case history memorization task was then performed. Clinical information recall was assessed as "free"(no cognitive aids) and "cued"(using aid memoirs). Open and closed cues represent information of increasing specificity to aid the recall of clinical information. Fatigue was measured objectively using the psychomotor vigilance task at induction, before and after the dual 2-back task. Modafinil decreased false starts and lapses (modafinil = 0.50, placebo = 9.83, P modafinil = 0.006, placebo = 0.098, P Modafinil improved free information recall (modafinil = 137.8, placebo = 106.0, P modafinil = 62.3, placebo = 52.8, P = .1) and closed cues (modafinil = 80.1, placebo = 75.9, P = .3). Modafinil attenuated fatigue and improved free recall of clinical information without improving cue-based recall under the design of our experimental conditions. Memory cues to aid retrieval of clinical information are convenient interventions that could decrease fatigue-related error without adverse effects of the neuropharmacology. Copyright © 2016 Elsevier Inc. All rights reserved.

  15. Reversible intercalation of ammonia molecules into a layered double hydroxide structure without exchanging nitrate counter-ions

    International Nuclear Information System (INIS)

    Carbajal Arizaga, Gregorio Guadalupe; Wypych, Fernando; Castillon Barraza, Felipe; Contreras Lopez, Oscar Edel

    2010-01-01

    A zinc/aluminum LDH was precipitated with recycled ammonia from a chemical vapor deposition reaction. The LDH presented a crystalline phase with basal distance of 8.9 A, typical for nitrate-containing LDHs, and another phase with a basal distance of 13.9 A. Thermal treatment at 150 o C eliminated the phase with the bigger basal distance leaving only the anhydrous nitrate-intercalated LDH structure with 8.9 A. Intense N-H stretching modes in the FTIR spectra suggested that the expansion was due to intercalation of ammonia in the form of [NH 4 (NH 3 ) n ] + species. When additional samples were precipitated with pure ammonia, the conventional LDH nitrate structure was obtained (8.9 A basal distance) at pH=7, as well as a pure crystalline phase with 13.9 A basal distance at pH=10 due to ammonia intercalation that can be removed by heating at 150 o C or by stirring in acetone, confirming a unusual sensu stricto intercalation process into a LDH without exchanging nitrate ions. - Graphical abstract: LDH-nitrate precipitated with ammonia expands the interlayer space if ammonia is bubbled up to pH 10. The basal distance decreased when the compound was heated at 150 o C or stirred in acetone. Nitrate ions are not exchanged.

  16. Time-lapse two-color 3D imaging of live cells with doubled resolution using structured illumination.

    Science.gov (United States)

    Fiolka, Reto; Shao, Lin; Rego, E Hesper; Davidson, Michael W; Gustafsson, Mats G L

    2012-04-03

    Previous implementations of structured-illumination microscopy (SIM) were slow or designed for one-color excitation, sacrificing two unique and extremely beneficial aspects of light microscopy: live-cell imaging in multiple colors. This is especially unfortunate because, among the resolution-extending techniques, SIM is an attractive choice for live-cell imaging; it requires no special fluorophores or high light intensities to achieve twice diffraction-limited resolution in three dimensions. Furthermore, its wide-field nature makes it light-efficient and decouples the acquisition speed from the size of the lateral field of view, meaning that high frame rates over large volumes are possible. Here, we report a previously undescribed SIM setup that is fast enough to record 3D two-color datasets of living whole cells. Using rapidly programmable liquid crystal devices and a flexible 2D grid pattern algorithm to switch between excitation wavelengths quickly, we show volume rates as high as 4 s in one color and 8.5 s in two colors over tens of time points. To demonstrate the capabilities of our microscope, we image a variety of biological structures, including mitochondria, clathrin-coated vesicles, and the actin cytoskeleton, in either HeLa cells or cultured neurons.

  17. The Peroxidase/H2O2 System as a Free Radical-Generating Agent for Gelling Maize Bran Arabinoxylans: Rheological and Structural Properties

    Directory of Open Access Journals (Sweden)

    Erika Salas-Muñoz

    2011-10-01

    Full Text Available The oxidative gelation of maize bran arabinoxylans (MBAX using a peroxidase/H2O2 system as a free radical-generating agent was investigated. The peroxidase/H2O2 system led to the formation of dimers and trimer of ferulic acid as covalent cross-link structures in the MBAX network. MBAX gels at 4% (w/v presented a storage modulus of 180 Pa. The structural parameters of MBAX gels were calculated from swelling experiments. MBAX gels presented a molecular weight between two cross-links (Mc, a cross-linking density (ρc and a mesh size (x of 49 × 103 g/mol, 30 × 10−6 mol/cm3 and 193 nm, respectively.

  18. DFT calculation of four new potential agents muscarinic of bispyridinium type: structure, synthesis, biological activity, hydration, and relations with the potents W84 and DUO-3O

    Science.gov (United States)

    Alcolea Palafox, M.; Posada-Moreno, P.; Villarino-Marín, A. L.; Martinez-Rincon, C.; Ortuño-Soriano, I.; Zaragoza-García, I.

    2011-02-01

    Four new potential agents muscarinic (allosteric modulators) were synthesized and studied by using the B3LYP density functional method. The optimum conformation and geometry structure of these compounds were determined and analyzed. Solvent effects were considered including a variable number (1-15) of explicit water molecules surrounding the compound in order to simulate the first hydration shell, as well as using the Tomasi's polarized continuum model (PCM). A similar simultaneous analysis of the potents W84 and DUO-3O allosteric modulator of muscarinic receptors was also carried out. The effect of the hydration on the total atomic charges and several intermolecular distances of interest were also discussed. The biological activity against acetylcholine of our four synthesized bispyridinium salts was determined. Relationships/tendencies structure-activity were established. Several general conclusions were underlined.

  19. Manufacturing a Porous Structure According to the Process Parameters of Functional 3D Porous Polymer Printing Technology Based on a Chemical Blowing Agent

    Science.gov (United States)

    Yoo, C. J.; Shin, B. S.; Kang, B. S.; Yun, D. H.; You, D. B.; Hong, S. M.

    2017-09-01

    In this paper, we propose a new porous polymer printing technology based on CBA(chemical blowing agent), and describe the optimization process according to the process parameters. By mixing polypropylene (PP) and CBA, a hybrid CBA filament was manufactured; the diameter of the filament ranged between 1.60 mm and 1.75 mm. A porous polymer structure was manufactured based on the traditional fused deposition modelling (FDM) method. The process parameters of the three-dimensional (3D) porous polymer printing (PPP) process included nozzle temperature, printing speed, and CBA density. Porosity increase with an increase in nozzle temperature and CBA density. On the contrary, porosity increase with a decrease in the printing speed. For porous structures, it has excellent mechanical properties. We manufactured a simple shape in 3D using 3D PPP technology. In the future, we will study the excellent mechanical properties of 3D PPP technology and apply them to various safety fields.

  20. Dispersed free phytosterols as structuring agents in lipid systems with reduced saturated fat; Fitosteroles libres dispersos como agentes estructurantes en sistemas lipídicos reducidos en grasa saturada

    Energy Technology Data Exchange (ETDEWEB)

    Godoi, K.R.R.; Basso, R.C.; Buscato, M.H.M.; Cardoso, L.P.; Kieckbusch, T.G.; Ribeiro, A.P.B.

    2017-07-01

    The negative effects of trans fatty acids and saturated fatty acids in food have been widely discussed and this has led to progressive changes in the legislation of many countries. The use of structuring agents or crystallization modifiers, as specific triacylglycerol and minor lipids have been indicated as the only viable alternative for obtaining low saturated fats with properties which are compatible with food application. In this context, phytosterols, natural products with hypocholesterolemic action, and hard fat-crystallization modulators, present a new option for structuring lipid matrices. This work characterized the effects of fully hydrogenated soybean oil and free phytosterols on the physical properties and crystallization behavior of palm oil and canola oil blends for the development of zero trans-fat bases with low levels of saturated fatty acids. The systems were evaluated for chemical composition, atherogenic index, solid fat profiles, microstructure, consistency, thermal behavior and polymorphism. [Spanish] Los efectos negativos de los ácidos grasos trans y los ácidos grasos saturados en los alimentos ha llevado a cambios progresivos en la legislación de muchos países. Se ha indicado que el uso de agentes estructurantes o modificadores de la cristalización, como triacilgliceroles específicos y componentes lipídicos menores, es la única alternativa viable para obtener grasas bajas saturadas que tienen propiedades compatibles con su aplicación en alimentos. En este contexto, los fitosteroles, productos naturales con acción hipocolesterolémica y moduladores de cristalización de la grasa saturada, se presentan como una reciente opción para estructurar matrices lipídicas. En este trabajo se realizó una caracterización del aceite de soja totalmente hidrogenado y fitoesteroles libres sobre las propiedades físicas y el comportamiento de cristalización de mezclas de aceite de palma/aceite de canola para el desarrollo de bases de grasas cero

  1. Synthesis and quantitative structure-activity relationship (QSAR) study of novel 4-acyloxypodophyllotoxin derivatives modified in the A and C rings as insecticidal agents.

    Science.gov (United States)

    He, Shuzhen; Shao, Yonghua; Fan, Lingling; Che, Zhiping; Xu, Hui; Zhi, Xiaoyan; Wang, Juanjuan; Yao, Xiaojun; Qu, Huan

    2013-01-23

    In continuation of our program aimed at the discovery and development of natural-product-based insecticidal agents, we have synthesized three series of novel 4-acyloxy compounds derived from podophyllotoxin modified in the A and C rings, which is isolated as the main secondary metabolite from the roots and rhizomes of Podophyllum hexandrum . Their insecticidal activity was preliminarily evaluated against the pre-third-instar larvae of Mythimna separata in vivo. Compound 9g displayed the best promising insecticidal activity. It revealed that cleavage of the 6,7-methylenedioxy group of podophyllotoxin will lead to a less active compound and that the C-4 position of podophyllotoxin was the important modification location. A quantitative structure-activity relationship (QSAR) model was developed by genetic algorithm combined with multiple linear regression (GA-MLR). For this model, the squared correlation coefficient (R(2)) is 0.914, the leave-one-out cross-validation correlation coefficient (Q(2)(LOO)) is 0.881, and the root-mean-square error (RMSE) is 0.024. Five descriptors, BEHm2, Mor14v, Wap, G1v, and RDF020e, are likely to influence the biological activity of these compounds. Among them, two important ones are BEHm2 and Mor14v. This study will pave the way for further design, structural modification, and development of podophyllotoxin derivatives as insecticidal agents.

  2. Effect of complexing agent TEA: The structural, morphological, topographical and optical properties of FexSx nano thin films deposited by SILAR technique

    Science.gov (United States)

    Manikandan, K.; Mani, P.; Surendra Dilip, C.; Valli, S.; Fermi Hilbert Inbaraj, P.; Joseph Prince, J.

    2014-01-01

    Iron sulfide thin films (FexSx) (x = 0.05 M, 0.10 M, 0.15 M, 0.20 M and 0.25 M) were deposited by SILAR method from equimolar and equivolume aqueous solutions of ferrous nitrate and sodium sulfide with the addition of complexing agent TEA. The structural, morphological and optical characteristics of the films were derived from X-ray diffraction (XRD), scanning electron microscopy (SEM), atomic force microscopy (AFM) and UV-vis spectral techniques. The mixed characteristics (crystalline and amorphous) of the deposited films and the increasing crystalline qualities with the concentrations were understood from the XRD analysis. The grain sizes and roughness of the films were decreases with the increasing concentration and also at the higher concentration films are shown by the same images presence of hexagonal like crystallite structure. The influence of complexing agent TEA on the surface roughness and morphological properties are confirmed by the atomic force microscope (AFM) results. The effect of increasing substrate concentration on the absorption and transmission measurements and its impact on the optical band-gap energy were enumerated from the UV-vis analysis.

  3. Synthesis, structural characterization and magnetic properties of the monoclinic ordered double perovskites BaLaMSbO{sub 6}, with M = Mn, Co and Ni

    Energy Technology Data Exchange (ETDEWEB)

    Cecilia Blanco, M.; De Paoli, Juan M. [INFIQC (CONICET – Universidad Nacional de Córdoba), Departamento de Fisicoquímica, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Haya de la Torre esq, Medina Allende, Ciudad Universitaria, X5000HUA Córdoba (Argentina); Ceppi, Sergio; Tirao, G. [IFEG (CONICET), Facultad de Matemáticas, Astronomía y Física, Universidad Nacional de Córdoba, Haya de la Torre esq, Medina Allende, X5000HUA Córdoba (Argentina); Nassif, Vivian M. [Institut Néel, CNRS et Université Joseph Fourier, BP 166, 38042 Grenoble Cedex 9 (France); Guimpel, J. [Comisión Nacional de Energía Atómica – Centro Atómico Bariloche and Instituto Balseiro, Universidad Nacional de Cuyo, Av. Bustillo 9500, 8400 Río Negro (Argentina); Carbonio, Raúl E., E-mail: carbonio@fcq.unc.edu.ar [INFIQC (CONICET – Universidad Nacional de Córdoba), Departamento de Fisicoquímica, Facultad de Ciencias Químicas, Universidad Nacional de Córdoba, Haya de la Torre esq, Medina Allende, Ciudad Universitaria, X5000HUA Córdoba (Argentina)

    2014-09-01

    Highlights: • Three new double perovskites BaLaMSbO{sub 6} (M = Mn, Co, Ni) were synthesized. • Complete structural characterization by Rietveld refinement was performed. • Complex magnetic behavior for Mn perovskite was explained by superparamagnetism. • Antiferromagnetic behavior at low temperatures is obtained for the three materials. - Abstract: Double perovskites BaLaMnSbO{sub 6}, BaLaCoSbO{sub 6} and BaLaNiSbO{sub 6}, were synthesized by conventional ceramic method in air, as polycrystalline powders. The Mn and Ni compounds belong to the I 2/m monoclinic space group, while the Co perovskite belongs to the I 4/m tetragonal space group. Effective presence of Mn{sup 2+} has been well established by X-ray emission spectroscopy for BaLaMnSbO{sub 6}, and there is no evidence of Mn{sup 3+}. BaLaCoSbO{sub 6} and BaLaNiSbO{sub 6} only show the expected 3D-antiferromagnetic behavior typical of super-superexchange interactions, while BaLaMnSbO{sub 6} displays signs of superparamagnetism in the 40–160 K range, which arises from unbalanced antiferromagnetism inside nanoclusters formed by regions which are rich in Mn{sup 2+}–O{sup 2−}–Mn{sup 2+} paths. Neutron powder diffraction data for BaLaMnSbO{sub 6} reveals that at 3 K, only long range order antiferromagnetic arrangement of Mn{sup 2+} spins on 2d octahedral sites is obtained.

  4. X-ray Crystal Structure of Arsenite-Inhibited Xanthine Oxidase:[mu]-Sulfido,[mu]-Oxo Double Bridge between Molybdenum and Arsenic in the Active Site

    Energy Technology Data Exchange (ETDEWEB)

    Cao, Hongnan; Hall, James; Hille, Russ (UCR)

    2012-10-23

    Xanthine oxidoreductase is a molybdenum-containing enzyme that catalyzes the hydroxylation reaction of sp{sup 2}-hybridized carbon centers of a variety of substrates, including purines, aldehydes, and other heterocyclic compounds. The complex of arsenite-inhibited xanthine oxidase has been characterized previously by UV-vis, electron paramagnetic resonance, and X-ray absorption spectroscopy (XAS), and the catalytically essential sulfido ligand of the square-pyrimidal molybdenum center has been suggested to be involved in arsenite binding through either a {mu}-sulfido,{mu}-oxo double bridge or a single {mu}-sulfido bridge. However, this is contrary to the crystallographically observed single {mu}-oxo bridge between molybdenum and arsenic in the desulfo form of aldehyde oxidoreductase from Desulfovibrio gigas (an enzyme closely related to xanthine oxidase), whose molybdenum center has an oxo ligand replacing the catalytically essential sulfur, as seen in the functional form of xanthine oxidase. Here we use X-ray crystallography to characterize the molybdenum center of arsenite-inhibited xanthine oxidase and solve the structures of the oxidized and reduced inhibition complexes at 1.82 and 2.11 {angstrom} resolution, respectively. We observe {mu}-sulfido,{mu}-oxo double bridges between molybdenum and arsenic in the active sites of both complexes. Arsenic is four-coordinate with a distorted trigonal-pyramidal geometry in the oxidized complex and three-coordinate with a distorted trigonal-planar geometry in the reduced complex. The doubly bridged binding mode is in agreement with previous XAS data indicating that the catalytically essential sulfur is also essential for the high affinity of reduced xanthine oxidoreductase for arsenite.

  5. Foam injection moulding of a TPO/TPC-blend and the effect of different nucleating agents on the resulting foam structure

    Science.gov (United States)

    Mueller, J.; Spoerrer, A.; Altstaedt, V.

    2014-05-01

    The manufacturing of car interior parts with a soft touch surface is possible in a one-step injection moulding process, in which an injection moulded carrier is overmoulded with a compatible foamed thermoplastic elastomer (TPE). In contrast to the complex conventional process the structural foaming of the TPE component allows a saving of one material component as it combines a compact skin and a foamed core. Furthermore the manufacturing process can be achieved on a two component injection moulding machine which offers a much higher economic efficiency. One approach to reach an adhesion between a reinforced PP carrier and the foamed TPE component including good surface resistance is the use of an olefinic-/polyester-based TPE blend (TPO/TPC-blend). This paper is going to show the possibility to process a TPO/TPC-blend system by foam injection moulding with MuCell® and how the resulting foam structure can be influenced by various nucleating agents. For this purpose particles which differ in type, form and size were added in various concentrations to the TPE-blend. Before the structure elucidation of the foamed samples the particle dispersion and their effects on the polymers rheological properties were investigated. Finally abrasion tests were performed to investigate the influence of the particles on the performance characteristics of the foamed blend system. The results showed that the foam structure as well as the surface quality of the foamed TPO/TPC-blend can be improved with the use of suitable nucleating agents. Furthermore the abrasion properties can be advanced with appropriate additives in the right dosage.

  6. Structural and magnetic characterization of three tetranuclear Cu(II) complexes with face-sharing-dicubane/double-open-cubane like core framework

    Science.gov (United States)

    Paul, Aparup; Bertolasi, Valerio; Figuerola, Albert; Manna, Subal Chandra

    2017-05-01

    Three novel tetranuclear copper(II) complexes namely [Cu4(L1)4]•2(dmf) (1), [Cu4(L1)4] (2) and [Cu4(L2)2(HL2)2(H2O)2]•2(ClO4)·6(H2O) (3) (H2L1, (E)-2-((1-hydroxybutan-2-ylimino)methyl)phenol; H2L2, (E)-2-((1-hydroxybutan-2-ylimino)methyl)-6-methoxyphenol)) were synthesized from the self-assembly of copper(II) perchlorate and the tridentate Schiff base ligands. The structural determination reveals that complex 1 crystallizes in the monoclinic system with space group C2/c, whereas both the complexes 2 and 3 crystallize in the triclinic system with space group P-1. Complexes 1 and 2 possess face-sharing dicubane core, on the other hand complex 3 has double open cubane core structure. The copper(II) ions in the cubane core are in distorted square planar geometries, and weak π…π and C-H…π interactions lead to formation of a 2D supramolecular architecture for complexes 1 and 2. At room temperature complexes 1, 2 and 3, exhibit fluorescence with a quantum yield (Φs) of 0.47, 0.49 and 0.38, respectively. Variable temperature magnetic susceptibility measurements in the range 2-300 K indicate an overall weak antiferromagnetic exchange coupling in all complexes. The PHI program was used to study their magnetic behaviour. In agreement with their face-sharing dicubane structure, a Hamiltonian of the type H =- J1(S1S2+S1S2'+S1'S2+S1'S2') - J2S1S1', where S1 = S1' = S2 = S2' = SCu =1/2, was used for studying complexes 1 and 2. Simulations performed suggest magnetic exchange constants with values close to J1 =-20 cm-1 and J2 =0 cm-1 for these complexes. On the other hand, the spin Hamiltonian H =- J1(S1S4+S2S3) - J2(S1S3+S2S4) - J3S1S2, where S1 = S2 = S3 = S4 = SCu =1/2, was used to study the magnetic behaviour of the double open cubane core of complex 3 and a good agreement between the experimental and simulated results was found by using the parameters g1 = g2 =2.20, g3 = g4 =2.18, J1 =-36 cm-1, J2 =-44 cm-1 and J3 =0 cm-1.

  7. Structural and magnetic properties of double-perovskite Ba2MnMoO6 by density functional theory

    International Nuclear Information System (INIS)

    Cardona, R.; Landinez Tellez, D.A.; Arbey Rodriguez M, J.; Fajardo, F.; Roa-Rojas, J.

    2008-01-01

    Perovskite-like materials which include magnetic elements have relevance due to the technological perspectives in the spintronics industry. In this work, we report the studies of Ba 2 MnMoO 6 material by using the density functional theory. The interchange-correlation potential was included through the generalized gradient approximation. Our structural calculations are in agreement with the experimental results which show that the material crystallizes in the 225 space group (Fm3-bar m) and has a lattice parameter of about 8070 A. The density of states study was carried out by considering the up and down spin orientations. Results show that Ba 2 MnMoO 6 has a conductor behavior due to dominant Mn spin-up and Mo spin-down contributions. The magnetic moment was calculated to be 2.9 μ B

  8. Molecular simulations of the electric double layer structure, differential capacitance, and charging kinetics for N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide at graphite electrodes.

    Science.gov (United States)

    Vatamanu, Jenel; Borodin, Oleg; Smith, Grant D

    2011-03-31

    Molecular dynamics simulations were performed on N-methyl-N-propylpyrrolidinium bis(fluorosulfonyl)imide (pyr(13)FSI) room temperature ionic liquid (RTIL) confined between graphite electrodes as a function of applied potential at 393 and 453 K using an accurate force field developed in this work. The electric double layer (EDL) structure and differential capacitance (DC) of pyr(13)FSI was compared with the results of the previous study of a similar RTIL pyr(13)bis(trifluoromethanesulfonyl)imide (pyr(13)TFSI) with a significantly larger anion [ Vatamanu, J.; Borodin, O.; Smith, G. D. J. Am. Chem. Soc. 2010, 132, 14825]. Intriguingly, the smaller size of the FSI anion compared to TFSI did not result in a significant increase of the DC on the positive electrode. Instead, a 30% higher DC was observed on the negative electrode for pyr(13)FSI compared to pyr(13)TFSI. The larger DC observed on the negative electrode for pyr(13)FSI compared to pyr(13)TFSI was associated with two structural features of the EDL: (a) a closer approach of FSI compared to TFSI to the electrode surface and (b) a faster rate (vs potential decrease) of anion desorption from the electrode surface for FSI compared to TFSI. Additionally, the limiting behavior of DC at large applied potentials was investigated. Finally, we show that constant potential simulations indicate time scales of hundreds of picoseconds required for electrode charge/discharge and EDL formation.

  9. Longitudinal double spin asymmetry $A_1^p$ and spin-dependent structure function $g_1^p$ of the proton at low $x$ and low $Q^2$ from COMPASS

    CERN Document Server

    Nunes, A S

    2014-01-01

    The COMPASS experiment at CERN has collected a large sample of events of inelastic scattering of longitudinally polarised muons off longitudinally polarised protons in the non-perturbative region (four-momentum transfer squared $Q^2<1$~(GeV$^2$/$c^2$), with a Bjorken scaling variable in the range $4\\times 10^{-5}double spin asymmetry $A_1^p$ and of the spin-dependent structure function $g_1^p$ of the proton in the region of low $x$ and low $Q^2$. The preliminary results of the analysis of these data yield non zero and positive asymmetries and of the structure function $g_1^p$. This is the first time that spin effects are observed at such low $x$.

  10. Crystal Structure of Clustered Regularly Interspaced Short Palindromic Repeats (CRISPR)-associated Csn2 Protein Revealed Ca[superscript 2+]-dependent Double-stranded DNA Binding Activity

    Energy Technology Data Exchange (ETDEWEB)

    Nam, Ki Hyun; Kurinov, Igor; Ke, Ailong (Cornell); (NWU)

    2012-05-22

    Clustered regularly interspaced short palindromic repeats (CRISPR) and their associated protein genes (cas genes) are widespread in bacteria and archaea. They form a line of RNA-based immunity to eradicate invading bacteriophages and malicious plasmids. A key molecular event during this process is the acquisition of new spacers into the CRISPR loci to guide the selective degradation of the matching foreign genetic elements. Csn2 is a Nmeni subtype-specific cas gene required for new spacer acquisition. Here we characterize the Enterococcus faecalis Csn2 protein as a double-stranded (ds-) DNA-binding protein and report its 2.7 {angstrom} tetrameric ring structure. The inner circle of the Csn2 tetrameric ring is {approx}26 {angstrom} wide and populated with conserved lysine residues poised for nonspecific interactions with ds-DNA. Each Csn2 protomer contains an {alpha}/{beta} domain and an {alpha}-helical domain; significant hinge motion was observed between these two domains. Ca{sup 2+} was located at strategic positions in the oligomerization interface. We further showed that removal of Ca{sup 2+} ions altered the oligomerization state of Csn2, which in turn severely decreased its affinity for ds-DNA. In summary, our results provided the first insight into the function of the Csn2 protein in CRISPR adaptation by revealing that it is a ds-DNA-binding protein functioning at the quaternary structure level and regulated by Ca{sup 2+} ions.

  11. Crystal structure of clustered regularly interspaced short palindromic repeats (CRISPR)-associated Csn2 protein revealed Ca2+-dependent double-stranded DNA binding activity.

    Science.gov (United States)

    Nam, Ki Hyun; Kurinov, Igor; Ke, Ailong

    2011-09-02

    Clustered regularly interspaced short palindromic repeats (CRISPR) and their associated protein genes (cas genes) are widespread in bacteria and archaea. They form a line of RNA-based immunity to eradicate invading bacteriophages and malicious plasmids. A key molecular event during this process is the acquisition of new spacers into the CRISPR loci to guide the selective degradation of the matching foreign genetic elements. Csn2 is a Nmeni subtype-specific cas gene required for new spacer acquisition. Here we characterize the Enterococcus faecalis Csn2 protein as a double-stranded (ds-) DNA-binding protein and report its 2.7 Å tetrameric ring structure. The inner circle of the Csn2 tetrameric ring is ∼26 Å wide and populated with conserved lysine residues poised for nonspecific interactions with ds-DNA. Each Csn2 protomer contains an α/β domain and an α-helical domain; significant hinge motion was observed between these two domains. Ca(2+) was located at strategic positions in the oligomerization interface. We further showed that removal of Ca(2+) ions altered the oligomerization state of Csn2, which in turn severely decreased its affinity for ds-DNA. In summary, our results provided the first insight into the function of the Csn2 protein in CRISPR adaptation by revealing that it is a ds-DNA-binding protein functioning at the quaternary structure level and regulated by Ca(2+) ions.

  12. Optimization of Vertical Double-Diffused Metal-Oxide Semiconductor (VDMOS) Power Transistor Structure for Use in High Frequencies and Medical Devices.

    Science.gov (United States)

    Farhadi, Rozita; Farhadi, Bita

    2014-01-01

    Power transistors, such as the vertical, double-diffused, metal-oxide semiconductor (VDMOS), are used extensively in the amplifier circuits of medical devices. The aim of this research was to construct a VDMOS power transistor with an optimized structure to enhance the operation of medical devices. First, boron was implanted in silicon by implanting unclamped inductive switching (UIS) and a Faraday shield. The Faraday shield was implanted in order to replace the gate-field parasitic capacitor on the entry part of the device. Also, implanting the UIS was used in order to decrease the effect of parasitic bipolar junction transistor (BJT) of the VDMOS power transistor. The research tool used in this study was Silvaco software. By decreasing the transistor entry resistance in the optimized VDMOS structure, power losses and noise at the entry of the transistor were decreased, and, by increasing the breakdown voltage, the lifetime of the VDMOS transistor lifetime was increased, which resulted in increasing drain flow and decreasing Ron. This consequently resulted in enhancing the operation of high-frequency medical devices that use transistors, such as Radio Frequency (RF) and electrocardiograph machines.

  13. Application Framework with Abstractions for Protocol and Agent Role

    DEFF Research Database (Denmark)

    Kristensen, Bent Bruun

    2016-01-01

    In multi-agent systems, agents interact by sending and receiving messages and the actual sequences of message form interaction structures between agents. Protocols and agents organized internally by agent roles support these interaction structures. Description and use of protocols based on agent ...... roles are supported by a simple and expressive application framework....

  14. Structural and magnetic characterization of three tetranuclear Cu(II) complexes with face-sharing-dicubane/double-open-cubane like core framework

    Energy Technology Data Exchange (ETDEWEB)

    Paul, Aparup [Department of Chemistry and Chemical Technology, Vidyasagar University, Midnapore 721102, West Bengal (India); Bertolasi, Valerio [Dipartimento di Scienze Chimiche e Farmaceutiche, Centro di Strutturistica Diffrattometrica, Università di Ferrara, Via L. Borsari, 46, 44100 Ferrara (Italy); Figuerola, Albert [Departament de Química Inorgànica i Orgànica (Secció de Química Inorgànica) and Institut de Nanociència i Nanotecnologia (IN2UB), Universitat de Barcelona, Martí i Franquès 1-11, 08028 Barcelona (Spain); Manna, Subal Chandra, E-mail: scmanna@mail.vidyasagar.ac.in [Department of Chemistry and Chemical Technology, Vidyasagar University, Midnapore 721102, West Bengal (India)

    2017-05-15

    Three novel tetranuclear copper(II) complexes namely [Cu{sub 4}(L{sup 1}){sub 4}]∙2(dmf) (1), [Cu{sub 4}(L{sup 1}){sub 4}] (2) and [Cu{sub 4}(L{sup 2}){sub 2}(HL{sup 2}){sub 2}(H{sub 2}O){sub 2}]∙2(ClO{sub 4})·6(H{sub 2}O) (3) (H{sub 2}L{sup 1}, (E)−2-((1-hydroxybutan-2-ylimino)methyl)phenol; H{sub 2}L{sup 2}, (E)−2-((1-hydroxybutan-2-ylimino)methyl)−6-methoxyphenol)) were synthesized from the self-assembly of copper(II) perchlorate and the tridentate Schiff base ligands. The structural determination reveals that crystallizes in the monoclinic system with space group C2/c, whereas both the and crystallize in the triclinic system with space group P-1. and possess face-sharing dicubane core, on the other hand complex 3 has double open cubane core structure. The copper(II) ions in the cubane core are in distorted square planar geometries, and weak π…π and C–H…π interactions lead to formation of a 2D supramolecular architecture for and . At room temperature and , exhibit fluorescence with a quantum yield (Φ{sub s}) of 0.47, 0.49 and 0.38, respectively. Variable temperature magnetic susceptibility measurements in the range 2–300 K indicate an overall weak antiferromagnetic exchange coupling in all complexes. The PHI program was used to study their magnetic behaviour. In agreement with their face-sharing dicubane structure, a Hamiltonian of the type H =– J{sub 1}(S{sub 1}S{sub 2}+S{sub 1}S{sub 2’}+S{sub 1'}S{sub 2}+S{sub 1'}S{sub 2’}) – J{sub 2}S{sub 1}S{sub 1’}, where S{sub 1} = S{sub 1’} = S{sub 2} = S{sub 2’} = S{sub Cu} =1/2, was used for studying and . Simulations performed suggest magnetic exchange constants with values close to J{sub 1} =−20 cm{sup −1} and J{sub 2} =0 cm{sup -1} for these complexes. On the other hand, the spin Hamiltonian H =– J{sub 1}(S{sub 1}S{sub 4}+S{sub 2}S{sub 3}) – J{sub 2}(S{sub 1}S{sub 3}+S{sub 2}S{sub 4}) – J{sub 3}S{sub 1}S{sub 2}, where S{sub 1} = S{sub 2} = S{sub 3} = S{sub 4

  15. PNPase autocontrols its expression by degrading a double-stranded structure in the pnp mRNA leader

    Science.gov (United States)

    Jarrige, Anne-Charlotte; Mathy, Nathalie; Portier, Claude

    2001-01-01

    Polynucleotide phosphorylase synthesis is autocontrolled at a post-transcriptional level in an RNase III-dependent mechanism. RNase III cleaves a long stem–loop in the pnp leader, which triggers pnp mRNA instability, resulting in a decrease in the synthesis of polynucleotide phosphorylase. The staggered cleavage by RNase III removes the upper part of the stem–loop structure, creating a duplex with a short 3′ extension. Mutations or high temperatures, which destabilize the cleaved stem–loop, decrease expression of pnp, while mutations that stabilize the stem increase expression. We propose that the dangling 3′ end of the duplex created by RNase III constitutes a target for polynucleotide phosphorylase, which binds to and degrades the upstream half of this duplex, hence inducing pnp mRNA instability. Consistent with this interpretation, a pnp mRNA starting at the downstream RNase III processing site exhibits a very low level of expression, regardless of the presence of polynucleotide phosphorylase. Moreover, using an in vitro synthesized pnp leader transcript, it is shown that polynucleotide phosphorylase is able to digest the duplex formed after RNase III cleavage. PMID:11726520

  16. A Bayesian Double Fusion Model for Resting-State Brain Connectivity Using Joint Functional and Structural Data

    KAUST Repository

    Kang, Hakmook

    2017-03-20

    Current approaches separately analyze concurrently acquired diffusion tensor imaging (DTI) and functional magnetic resonance imaging (fMRI) data. The primary limitation of these approaches is that they do not take advantage of the information from DTI that could potentially enhance estimation of resting-state functional connectivity (FC) between brain regions. To overcome this limitation, we develop a Bayesian hierarchical spatiotemporal model that incorporates structural connectivity (SC) into estimating FC. In our proposed approach, SC based on DTI data is used to construct an informative prior for FC based on resting-state fMRI data through the Cholesky decomposition. Simulation studies showed that incorporating the two data produced significantly reduced mean squared errors compared to the standard approach of separately analyzing the two data from different modalities. We applied our model to analyze the resting state DTI and fMRI data collected to estimate FC between the brain regions that were hypothetically important in the origination and spread of temporal lobe epilepsy seizures. Our analysis concludes that the proposed model achieves smaller false positive rates and is much robust to data decimation compared to the conventional approach.

  17. Crystal structures of double vanadates Ca9R(VO4)7. 1. R = La, Pr and Eu

    International Nuclear Information System (INIS)

    Belik, A.A.; Morozov, V.A.; Lazoryak, B.I.; Khasanov, S.S.

    1997-01-01

    Crystalline structures of Ca 9 R(VO 4 ) 7 (R = La(1), Pr(2), Eu(3)) were studied by means of the complete profile analysis. The compounds crystallize in trigonal syngony (sp.gr. R3c, Z=6) with the following parameters of the elementary cells: 1 - a=10.8987(5), c = 38.147(1) A, V = 3924.1(3) A; 2 - a 10.8808(7), c = 38.135(1) A, V = 3910.0(3) A; 3 - a = 10.8651(1), c 38.089(1) A, V = 3894.0(3) A 3 . The rare-earth element cations together with calcium population density of the rare-earth element cations in the positions changes regularly depending on their radius. In some compounds starting from La up to Eu the population density of the rare-earth element cations in M(3) position decreases, while that in M(1) and M(2) position - increases

  18. Antibiotic Agents

    Science.gov (United States)

    ... Superbugs and Drugs" Home | Contact Us General Background: Antibiotic Agents What is an antibacterial and how are ... with the growth and reproduction of bacteria. While antibiotics and antibacterials both attack bacteria, these terms have ...

  19. Reducing agent (NaBH4) dependent structure, morphology and magnetic properties of nickel ferrite (NiFe2O4) nanorods

    International Nuclear Information System (INIS)

    Saravanakumar, B.; Rani, B. Jansi; Ravi, G.; Thambidurai, M.; Yuvakkumar, R.

    2017-01-01

    Nickel ferrite (Ni-Fe 2 O 4 ) nanorods were synthesized employing a simple chemical reduction method. Reducing agent (NaBH 4 ) influence on structural, morphological and magnetic properties of NiFe 2 O 4 nanorods was investigated. XRD results clearly revealed the presence of inverse cubic spinel nickel ferrite structure characteristic peaks and confirmed the site inversion of inverse spinel structure of Fe 3+ tetrahedral A site and Ni 2+ octahedral B site. The observed Raman characteristic peak at 488 and 683 cm −1 were corresponded to E 1 g and A 1 g mode whereas A and B site respectively corresponded to tetrahedral and octahedral site of NiFe 2 O 4 inverse spinel structure. The obtained PL peaks at 530 and 542 nm were attributed to the emission spectra of Fe 3+ ions in site A of inverse spinel structure and Ni 2+ ions in site B of inverse spinel structure respectively. SEM result clearly revealed that increase in NaBH 4 concentration had remarkable impact on nanorods formation, nano-octahedron structure, homogeneity and regularity of Ni-Ferrites. VSM studies clearly revealed the soft ferromagnetic nature of NiFe 2 O 4 and increase in NaBH 4 concentration further induced raise in metal cations concentration in A- and B- site which might impact the resultant magnetization of ferrites. - Highlights: • Nano rod formation has been initiated while increase of NaBH 4 concentration. • Further increasing NaBH 4 concentration favors nano-octahedron formation. • VSM studies revealed soft ferromagnetic nature of NiFe 2 O 4 .

  20. Reducing agent (NaBH{sub 4}) dependent structure, morphology and magnetic properties of nickel ferrite (NiFe{sub 2}O{sub 4}) nanorods

    Energy Technology Data Exchange (ETDEWEB)

    Saravanakumar, B.; Rani, B. Jansi; Ravi, G. [Nanomaterials Laboratory, Department of Physics, Alagappa University, Karaikudi 630 004, Tamil Nadu (India); Thambidurai, M. [Luminous Centre of Excellence for Semiconductor Lighting and Displays, School of Electrical & Electronic Engineering, The Photonics Institute (TPI), Nanyang Technological University, 50 Nanyang Avenue, 639798 (Singapore); Yuvakkumar, R., E-mail: yuvakkumar@gmail.com [Nanomaterials Laboratory, Department of Physics, Alagappa University, Karaikudi 630 004, Tamil Nadu (India)

    2017-04-15

    Nickel ferrite (Ni-Fe{sub 2}O{sub 4}) nanorods were synthesized employing a simple chemical reduction method. Reducing agent (NaBH{sub 4}) influence on structural, morphological and magnetic properties of NiFe{sub 2}O{sub 4} nanorods was investigated. XRD results clearly revealed the presence of inverse cubic spinel nickel ferrite structure characteristic peaks and confirmed the site inversion of inverse spinel structure of Fe{sup 3+} tetrahedral A site and Ni{sup 2+} octahedral B site. The observed Raman characteristic peak at 488 and 683 cm{sup −1} were corresponded to E{sub 1} {sub g} and A{sub 1} {sub g} mode whereas A and B site respectively corresponded to tetrahedral and octahedral site of NiFe{sub 2}O{sub 4} inverse spinel structure. The obtained PL peaks at 530 and 542 nm were attributed to the emission spectra of Fe{sup 3+} ions in site A of inverse spinel structure and Ni{sup 2+} ions in site B of inverse spinel structure respectively. SEM result clearly revealed that increase in NaBH{sub 4} concentration had remarkable impact on nanorods formation, nano-octahedron structure, homogeneity and regularity of Ni-Ferrites. VSM studies clearly revealed the soft ferromagnetic nature of NiFe{sub 2}O{sub 4} and increase in NaBH{sub 4} concentration further induced raise in metal cations concentration in A- and B- site which might impact the resultant magnetization of ferrites. - Highlights: • Nano rod formation has been initiated while increase of NaBH{sub 4} concentration. • Further increasing NaBH{sub 4} concentration favors nano-octahedron formation. • VSM studies revealed soft ferromagnetic nature of NiFe{sub 2}O{sub 4}.

  1. Biological Characterization of an Improved Pyrrole-Based Colchicine Site Agent Identified through Structure-Based Design.

    Science.gov (United States)

    Rohena, Cristina C; Telang, Nakul S; Da, Chenxiao; Risinger, April L; Sikorski, James A; Kellogg, Glen E; Gupton, John T; Mooberry, Susan L

    2016-02-01

    A refined model of the colchicine site on tubulin was used to design an improved analog of the pyrrole parent compound, JG-03-14. The optimized compound, NT-7-16, was evaluated in biological assays that confirm that it has potent activities as a new colchicine site microtubule depolymerizer. NT-7-16 exhibits antiproliferative and cytotoxic activities against multiple cancer cell lines, with IC(50) values of 10-16 nM, and it is able to overcome drug resistance mediated by the expression of P-glycoprotein and the βIII isotype of tubulin. NT-7-16 initiated the concentration-dependent loss of cellular microtubules and caused the formation of abnormal mitotic spindles, leading to mitotic accumulation. The direct interaction of NT-7-16 with purified tubulin was confirmed, and it was more potent than combretastatin A-4 in these assays. Binding studies verified that NT-7-16 binds to tubulin within the colchicine site. The antitumor effects of NT-7-16 were evaluated in an MDA-MB-435 xenograft model and it had excellent activity at concentrations that were not toxic. A second compound, NT-9-21, which contains dichloro moieties in place of the 3,5-dibromo substituents of NT-7-16, had a poorer fit within the colchicine site as predicted by modeling and the Hydropathic INTeractions score. Biological evaluations showed that NT-9-21 has 10-fold lower potency than NT-7-16, confirming the modeling predictions. These studies highlight the value of the refined colchicine-site model and identify a new pyrrole-based colchicine-site agent with potent in vitro activities and promising in vivo antitumor actions. Copyright © 2016 by The American Society for Pharmacology and Experimental Therapeutics.

  2. Alpha amylase assisted synthesis of TiO{sub 2} nanoparticles: Structural characterization and application as antibacterial agents

    Energy Technology Data Exchange (ETDEWEB)

    Ahmad, Razi; Mohsin, Mohd [Department of Biosciences, Jamia Millia Islamia, New Delhi 110025 (India); Ahmad, Tokeer [Department of Chemistry, Jamia Millia Islamia, New Delhi 110025 (India); Sardar, Meryam, E-mail: msardar@jmi.ac.in [Department of Biosciences, Jamia Millia Islamia, New Delhi 110025 (India)

    2015-02-11

    Graphical abstract: - Highlights: • Green synthesis of TiO{sub 2} nanoparticles using an enzyme alpha amylase has been described. • The morphology and shape depends upon the concentration of the alpha amylase enzyme. • The biosynthesized nanoparticles show good bactericidal effect against both gram positive and gram negative bacteria. • The bactericidal effect was further confirmed by Confocal microscopy and TEM. - Abstract: The enzyme alpha amylase was used as the sole reducing and capping agent for the synthesis of TiO{sub 2} nanoparticles. The biosynthesized nanoparticles were characterized by X-ray diffraction (XRD) and transmission electron microscopic (TEM) methods. The XRD data confirms the monophasic crystalline nature of the nanoparticles formed. TEM data shows that the morphology of nanoparticles depends upon the enzyme concentration used at the time of synthesis. The presence of alpha amylase on TiO{sub 2} nanoparticles was confirmed by FTIR. The nanoparticles were investigated for their antibacterial effect on Staphylococcus aureus and Escherichia coli. The minimum inhibitory concentration value of the TiO{sub 2} nanoparticles was found to be 62.50 μg/ml for both the bacterial strains. The inhibition was further confirmed using disc diffusion assay. It is evident from the zone of inhibition that TiO{sub 2} nanoparticles possess potent bactericidal activity. Further, growth curve study shows effect of inhibitory concentration of TiO{sub 2} nanoparticles against S. aureus and E. coli. Confocal microscopy and TEM investigation confirm that nanoparticles were disrupting the bacterial cell wall.

  3. Comparison of the crystal structures of the potent anticancer and anti-angiogenic agent regorafenib and its monohydrate.

    Science.gov (United States)

    Sun, Meng Ying; Wu, Su Xiang; Zhou, Xin Bo; Gu, Jian Ming; Hu, Xiu Rong

    2016-04-01

    Regorafenib {systematic name: 4-[4-({[4-chloro-3-(trifluoromethy)phenyl]carbamoyl}amino)-3-fluorophenoxy]-1-methylpyridine-2-carboxamide}, C21H15ClF4N4O3, is a potent anticancer and anti-angiogenic agent that possesses various activities on the VEGFR, PDGFR, raf and/or flt-3 kinase signaling molecules. The compound has been crystallized as polymorphic form I and as the monohydrate, C21H15ClF4N4O3·H2O. The regorafenib molecule consists of biarylurea and pyridine-2-carboxamide units linked by an ether group. A comparison of both forms shows that they differ in the relative orientation of the biarylurea and pyridine-2-carboxamide units, due to different rotations around the ether group, as measured by the C-O-C bond angles [119.5 (3)° in regorafenib and 116.10 (15)° in the monohydrate]. Meanwhile, the conformational differences are reflected in different hydrogen-bond networks. Polymorphic form I contains two intermolecular N-H...O hydrogen bonds, which link the regorafenib molecules into an infinite molecular chain along the b axis. In the monohydrate, the presence of the solvent water molecule results in more abundant hydrogen bonds. The water molecules act as donors and acceptors, forming N-H...O and O-H...O hydrogen-bond interactions. Thus, R4(2)(28) ring motifs are formed, which are fused to form continuous spiral ring motifs along the a axis. The (trifluoromethyl)phenyl rings protrude on the outside of these motifs and interdigitate with those of adjacent ring motifs, thereby forming columns populated by halogen atoms.

  4. Elastic Wavespeed Images of Northern Chile Subduction Zone from the Joint Inversion of Body and Surface Waves: Structure of the Andean Forearc and the Double Seismic Zone

    Science.gov (United States)

    Comte, D.; Carrizo, D.; Roecker, S. W.; Peyrat, S.; Arriaza, R.; Chi, R. K.; Baeza, S.

    2015-12-01

    Partly in anticipation of an imminent megathrust earthquake, a significant amount of seismic data has been collected over the past several years in northern Chile by local deployments of seismometers. In this study we generate elastic wavespeed images of the crust and upper mantle using a combination of body wave arrival times and surface wave dispersion curves. The body wave data set consists of 130000 P and 108000 S wave arrival times generated by 12000 earthquakes recorded locally over a period of 25 years by networks comprising about 360 stations. The surface wave data set consists of Rayleigh wave dispersion curves determined from ambient noise recorded by 60 broad band stations from three different networks over a period of three years. Transit time biases due to an uneven distribution of noise were estimated using a technique based on that of Yao and van der Hilst (2009) and found to be as high as 5% for some station pairs. We jointly invert the body and surface wave observations to both improve the overall resolution of the crustal images and reduce the trade-off between shallow and deep structures in the images of the subducted slab. Of particular interest in these images are three regions of anomalous Vp/Vs: (1) An extensive zone of low Vp/Vs (1.68) correlates with trench-parallel magmatic belts emplaced in the upper continental crust. In the region of the coast and continental slope, low Vp/Vs corresponds to batholithic structures in the Jurassic-Cretaceous magmatic arc. Between the central depression and Domeyko Cordillera, low Vp/Vs correlates with the distribution of magmatic arcs of Paleocene-Oligocene and Eocene-Oligocene age. Low Vp/Vs also correlates with the location of the Mejillones Peninsula. (2) A region of high Vp/Vs occurs in what is most likely the serpentinized wedge of the subduction zone. (3) An additional zone of low Vp/Vs is located in the middle of the double seismic zone at depths of 90-110 km. This region may exist all along the

  5. HANFORD DOUBLE SHELL TANK (DST) THERMAL & SEISMIC PROJECT ESTABLISHMENT OF METHODOLOGY FOR TIME DOMAIN SOIL STRUCTURE INTERACTION ANALYSIS OF HANFORD DST

    Energy Technology Data Exchange (ETDEWEB)

    MACKEY, T.C.

    2006-03-14

    M&D Professional Services, Inc. (M&D) is under subcontract to Pacific Northwest National Laboratories (PNNL) to perform seismic analysis of the Hanford Site Double-Shell Tanks (DSTs) in support of a project entitled ''Double-Shell Tank DSV Integrity Project-DST Thermal and Seismic Analyses''. The overall scope of the project is to complete an up-to-date comprehensive analysis of record of the DST System at Hanford in support of Tri-Party Agreement Milestone M-48-14. The thermal and operating loads analysis of the DSTs is documented in Rinker et al. (2004). The work statement provided to M&D (PNNL 2003) required that the seismic analysis of the DST assess the impacts of potentially non-conservative assumptions in previous analyses and account for the additional soil mass due to the as-found soil density increase, the effects of material degradation, additional thermal profiles applied to the full structure including the soil-structure response with the footings, the non-rigid (low frequency) response of the tank roof, the asymmetric seismic-induced soil loading, the structural discontinuity between the concrete tank wall and the support footing and the sloshing of the tank waste. The seismic analysis considers the interaction of the tank with the surrounding soil, and the effects of the primary tank contents. The DST and the surrounding soil are modeled as a system of finite elements. The depth and width of the soil incorporated into the analysis model are sufficient to obtain appropriately accurate analytical results. The analyses required to support the work statement differ from previous analysis of the DSTs in that the soil-structure interaction (SSI) model includes several (nonlinear) contact surfaces in the tank structure, and the contained waste must be modeled explicitly in order to capture the fluid-structure interaction behavior between the primary tank and contained waste. Soil-structure interaction analyses are traditionally solved in

  6. Selection of evodiamine as a novel topoisomerase I inhibitor by structure-based virtual screening and hit optimization of evodiamine derivatives as antitumor agents.

    Science.gov (United States)

    Dong, Guoqiang; Sheng, Chunquan; Wang, Shengzheng; Miao, Zhenyuan; Yao, Jianzhong; Zhang, Wannian

    2010-11-11

    Human topoisomerase I (TopoI) is recognized as a valuable target for the development of effective antitumor agents. Structure-based virtual screening was applied to the discovery of structurally diverse TopoI inhibitors. From 23 compounds selected by virtual screening, a total of 14 compounds were found to be TopoI inhibitors. Five hits (compounds 1, 14, 20, 21, and 23) also showed moderate to good in vitro antitumor activity. These novel structures can be considered as good starting points for the development of new antitumor lead compounds. Hit 20 (evodiamine) was chosen for preliminary structure-activity relationship studies. Various groups, including alkyl, benzoyl, benzyl and ester, were introduced to the indole nitrogen atom of evodiamine. The substituted benzoyl groups were found to be favorable for the antitumor activity and spectrum. The 4-Cl benzoyl derivative, compound 29u, was the most active one with IC(50) values in the range 0.049-2.6 μM.

  7. Cryo-EM structure of Mcm2-7 double hexamer on DNA suggests a lagging-strand DNA extrusion model

    Science.gov (United States)

    Noguchi, Yasunori; Yuan, Zuanning; Bai, Lin; Schneider, Sarah; Zhao, Gongpu; Li, Huilin

    2017-01-01

    During replication initiation, the core component of the helicase—the Mcm2-7 hexamer—is loaded on origin DNA as a double hexamer (DH). The two ring-shaped hexamers are staggered, leading to a kinked axial channel. How the origin DNA interacts with the axial channel is not understood, but the interaction could provide key insights into Mcm2-7 function and regulation. Here, we report the cryo-EM structure of the Mcm2-7 DH on dsDNA and show that the DNA is zigzagged inside the central channel. Several of the Mcm subunit DNA-binding loops, such as the oligosaccharide–oligonucleotide loops, helix 2 insertion loops, and presensor 1 (PS1) loops, are well defined, and many of them interact extensively with the DNA. The PS1 loops of Mcm 3, 4, 6, and 7, but not 2 and 5, engage the lagging strand with an approximate step size of one base per subunit. Staggered coupling of the two opposing hexamers positions the DNA right in front of the two Mcm2–Mcm5 gates, with each strand being pressed against one gate. The architecture suggests that lagging-strand extrusion initiates in the middle of the DH that is composed of the zinc finger domains of both hexamers. To convert the Mcm2-7 DH structure into the Mcm2-7 hexamer structure found in the active helicase, the N-tier ring of the Mcm2-7 hexamer in the DH-dsDNA needs to tilt and shift laterally. We suggest that these N-tier ring movements cause the DNA strand separation and lagging-strand extrusion. PMID:29078375

  8. Synthesis and Structure-Activity Relationships of Novel Amino/Nitro Substituted 3-Arylcoumarins as Antibacterial Agents

    Directory of Open Access Journals (Sweden)

    Ysabel Santos

    2013-01-01

    Full Text Available A new series of amino/nitro-substituted 3-arylcoumarins were synthesized and their antibacterial activity against clinical isolates of Staphylococcus aureus (Gram-positive and Escherichia coli (Gram-negative was evaluated. Some of these molecules exhibited antibacterial activity against S. aureus comparable to the standards used (oxolinic acid and ampicillin. The preliminary structure-activity relationship (SAR study showed that the antibacterial activity against S. aureus depends on the position of the 3-arylcoumarin substitution pattern. With the aim of finding the structural features for the antibacterial activity and selectivity, in the present manuscript different positions of nitro, methyl, methoxy, amino and bromo substituents on the 3-arylcoumarin scaffold were reported.

  9. 3-Deoxyglucosone: a potential glycating agent accountable for structural alteration in H3 histone protein through generation of different AGEs.

    Directory of Open Access Journals (Sweden)

    Jalaluddin M Ashraf

    Full Text Available Advanced glycation end-products (AGEs are heterogeneous group of compounds, known to be implicated in diabetic complications. One of the consequences of the Maillard reaction is attributed to the production of reactive intermediate products such as α-oxoaldehydes. 3-deoxyglucosone (3-DG, an α-oxoaldehyde has been found to be involved in accelerating vascular damage during diabetes. In the present study, calf thymus histone H3 was treated with 3-deoxyglucosone to investigate the generation of AGEs (Nε-carboxymethyllysine, pentosidine, by examining the degree of side chain modifications and formation of different intermediates and employing various physicochemical techniques. The results clearly indicate the formation of AGEs and structural changes upon glycation of H3 by 3-deoxyglucosone, which may hamper the normal functioning of H3 histone, that may compromise the veracity of chromatin structures and function in secondary complications of diabetes.

  10. Structural effects of the dispersing agent polysorbate 80 on liquid crystalline nanoparticles of soy phosphatidylcholine and glycerol dioleate.

    Science.gov (United States)

    Wadsäter, Maria; Barauskas, Justas; Rogers, Sarah; Skoda, Maximilian W A; Thomas, Robert K; Tiberg, Fredrik; Nylander, Tommy

    2015-02-14

    Well-defined, stable and highly structured I2 (Fd3̅m) liquid crystalline nanoparticles (LCNP) of 50/50 (wt/wt) soy phosphatidylcholine (SPC)/glycerol dioleate (GDO), can be formed by using a low fraction (5-10 wt%) of the dispersing polymeric surfactant polyoxyethylene (20) sorbitan monooleate (polysorbate 80 or P80). In the present study we used small angle neutron scattering (SANS) and deuterated P80 (d-P80) to determine the location and concentration of P80 within the LCNP and small angle X-ray scattering (SAXS) to reveal the internal structure. SANS data suggests that some d-P80 already penetrates the particle core at 5%. However, the content of d-P80 is still low enough not to significantly change the internal Fd3̅m structure of the LCNP. At higher fractions of P80 a phase separation occurs, in which a SPC and P80 rich phase is formed at the particle surface. The surface layer becomes gradually richer in both solvent and d-P80 when the surfactant concentration is increased from 5 to 15%, while the core of the particle is enriched by GDO, resulting in loss of internal structure and reduced hydration. We have used neutron reflectometry to reveal the location of the stabiliser within the adsorbed layer on an anionic silica and cationic (aminopropyltriethoxysilane (APTES) silanized) surface. d-P80 is enriched closest to the supporting surface and slightly more so for the cationic APTES surface. The results are relevant not only for the capability of LCNPs as drug delivery vehicles but also as means of preparing functional surface coatings.

  11. Lipooligosaccharide structure is an important determinant in the resistance of Neisseria gonorrhoeae to antimicrobial agents of innate host defense

    Directory of Open Access Journals (Sweden)

    Jacqueline T Balthazar

    2011-02-01

    Full Text Available The strict human pathogen Neisseria gonorrhoeae has caused the sexually transmitted infection termed gonorrhea for thousands of years. Over the millennia, the gonococcus has likely evolved mechanisms to evade host defense systems that operate on the genital mucosal surfaces in both males and females. Past research has shown that the presence or modification of certain cell envelope structures can significantly impact levels of gonococcal susceptibility to host-derived antimicrobial compounds that bathe genital mucosal surfaces and participate in innate host defense against invading pathogens. In order to facilitate the identification of gonococcal genes that are important in determining levels of bacterial susceptibility to mediators of innate host defense, we used the Himar I mariner in vitro mutagenesis system to construct a transposon insertion library in strain F62. As proof of principle that this strategy would be suitable for this purpose, we screened the library for mutants expressing decreased susceptibility to the bacteriolytic action of normal human serum (NHS. We found that a transposon insertion in the lgtD gene, which encodes an N-acetylgalactosamine transferase involved in the extension of the α-chain of lipooligosaccharide (LOS, could confer decreased susceptibility of strain F62 to complement-mediated killing by NHS. By complementation and chemical analyses, we demonstrated both linkage of the transposon insertion to the NHS-resistance phenotype and chemical changes in LOS structure that resulted from loss of LgtD production. Further truncation of the LOS α-chain or loss of phosphoethanolamine (PEA from the lipid A region of LOS also impacted levels of NHS-resistance. PEA decoration of lipid A also increased gonococcal resistance to the model cationic antimicrobial polymyxin B. Taken together, we conclude that the Himar I mariner in vitro mutagenesis procedure can facilitate studies on structures involved in gonococcal

  12. Muraymycin nucleoside-peptide antibiotics: uridine-derived natural products as lead structures for the development of novel antibacterial agents

    Directory of Open Access Journals (Sweden)

    Daniel Wiegmann

    2016-04-01

    Full Text Available Muraymycins are a promising class of antimicrobial natural products. These uridine-derived nucleoside-peptide antibiotics inhibit the bacterial membrane protein translocase I (MraY, a key enzyme in the intracellular part of peptidoglycan biosynthesis. This review describes the structures of naturally occurring muraymycins, their mode of action, synthetic access to muraymycins and their analogues, some structure–activity relationship (SAR studies and first insights into muraymycin biosynthesis. It therefore provides an overview on the current state of research, as well as an outlook on possible future developments in this field.

  13. Crayfish as trophic agents: Effect of Austropotamobius torrentium on zoobenthos structure and function in small forest streams

    Directory of Open Access Journals (Sweden)

    Weinländer M.

    2011-07-01

    Full Text Available Crayfish are among the largest and most threatened invertebrates in freshwater habitats. Due to their size, behaviour and feeding activity they may affect structure and function of aquatic ecosystems and their organisms. Despite their importance in many freshwaters and available information on their ecology for several species little is known about the European crayfish Austropotamobius torrentium. In order to evaluate the potential effects of indigenous crayfish presence on the structural and functional composition of the zoobenthic community, we measured population size and densities of three A. torrentium populations and compared macroinvertebrate assemblages and physicochemical parameters in three streams with and three without crayfish. The experimental setup considered crayfish effects at a large scale in defined reaches of pristine headwaters in association with the whole benthic fauna under natural conditions. Presence of A. torrentium significantly affected zoobenthic abundance, diversity and the relative proportions of functional feeding groups. In crayfish streams, especially Trichoptera and collector gatherers were more abundant and diverse, while sites without crayfish had significantly higher abundances and diversities of shredders and wood feeders. Our study provided strong evidence that the presence of the indigenous crayfish A. torrentium had important effects on the trophic cascades of headwater stream communities.

  14. Dihydro-β-agarofuran sesquiterpenes from celastraceae species as anti-tumour-promoting agents: Structure-activity relationship.

    Science.gov (United States)

    Núñez, Marvin J; Jiménez, Ignacio A; Mendoza, Cristina R; Chavez-Sifontes, Marvin; Martinez, Morena L; Ichiishi, Eiichiro; Tokuda, Ryo; Tokuda, Harukuni; Bazzocchi, Isabel L

    2016-03-23

    Inhibition of tumour promotion in multistage chemical carcinogenesis is considered a promising strategy for cancer chemoprevention. In an ongoing investigation of bioactive secondary metabolites from Celastraceae species, five new dihydro-β-agarofuran sesquiterpenes (1-5), named Chiapens A-E, and seventeen known ones, were isolated from Maytenus chiapensis. Their structures were elucidated by extensive NMR spectroscopic and mass spectrometric techniques, and their absolute configurations were determined by circular dichroism studies, chemical correlations and biogenic means. The isolated compounds, along with twenty known sesquiterpenes, previously isolated from Zinowiewia costaricensis, have been tested for their inhibitory effects on Epstein-Barr virus early antigen (EBV-EA) activation induced by 12-O-tetradecanoylphorpol-13-acetate (TPA). Thirty three compounds from this series showed stronger effects than that of β-carotene, the reference inhibitor. The structure-activity relationship (SAR) analysis revealed that the type of substituent, in particular at the C-1 position of the sesquiterpene scaffold, was able to modulate the anti-tumour promoting activity. Compounds 3, 6, and 33 showed significant effects in an in vivo two-stage mouse-skin carcinogenesis model. Copyright © 2016 Elsevier Masson SAS. All rights reserved.

  15. Solution structure of the 2A protease from a common cold agent, human rhinovirus C2, strain W12.

    Directory of Open Access Journals (Sweden)

    Woonghee Lee

    Full Text Available Human rhinovirus strains differ greatly in their virulence, and this has been correlated with the differing substrate specificity of the respective 2A protease (2Apro. Rhinoviruses use their 2Apro to cleave a spectrum of cellular proteins important to virus replication and anti-host activities. These enzymes share a chymotrypsin-like fold stabilized by a tetra-coordinated zinc ion. The catalytic triad consists of conserved Cys (C105, His (H34, and Asp (D18 residues. We used a semi-automated NMR protocol developed at NMRFAM to determine the solution structure of 2Apro (C105A variant from an isolate of the clinically important rhinovirus C species (RV-C. The backbone of C2 2Apro superimposed closely (1.41-1.81 Å rmsd with those of orthologs from RV-A2, coxsackie B4 (CB4, and enterovirus 71 (EV71 having sequence identities between 40% and 60%. Comparison of the structures suggest that the differential functional properties of C2 2Apro stem from its unique surface charge, high proportion of surface aromatics, and sequence surrounding the di-tyrosine flap.

  16. Solution structure of an arsenate reductase-related protein, YffB, from Brucella melitensis, the etiological agent responsible for brucellosis

    International Nuclear Information System (INIS)

    Buchko, Garry W.; Hewitt, Stephen N.; Napuli, Alberto J.; Van Voorhis, Wesley C.; Myler, Peter J.

    2011-01-01

    B. melitensis is a NIAID Category B microorganism that is responsible for brucellosis and is a potential agent for biological warfare. Here, the solution structure of the 116-residue arsenate reductase-related protein Bm-YffB (BR0369) from this organism is reported. Brucella melitensis is the etiological agent responsible for brucellosis. Present in the B. melitensis genome is a 116-residue protein related to arsenate reductases (Bm-YffB; BR0369). Arsenate reductases (ArsC) convert arsenate ion (H 2 AsO 4 − ), a compound that is toxic to bacteria, to arsenite ion (AsO 2 − ), a product that may be efficiently exported out of the cell. Consequently, Bm-YffB is a potential drug target because if arsenate reduction is the protein’s major biological function then disabling the cell’s ability to reduce arsenate would make these cells more sensitive to the deleterious effects of arsenate. Size-exclusion chromatography and NMR spectroscopy indicate that Bm-YffB is a monomer in solution. The solution structure of Bm-YffB shows that the protein consists of two domains: a four-stranded mixed β-sheet flanked by two α-helices on one side and an α-helical bundle. The α/β domain is characteristic of the fold of thioredoxin-like proteins and the overall structure is generally similar to those of known arsenate reductases despite the marginal sequence similarity. Chemical shift perturbation studies with 15 N-labeled Bm-YffB show that the protein binds reduced glutathione at a site adjacent to a region similar to the HX 3 CX 3 R catalytic sequence motif that is important for arsenic detoxification activity in the classical arsenate-reductase family of proteins. The latter observation supports the hypothesis that the ArsC-YffB family of proteins may function as glutathione-dependent thiol reductases. However, comparison of the structure of Bm-YffB with the structures of proteins from the classical ArsC family suggest that the mechanism and possibly the function of Bm

  17. The Crystal Structure and Magnetic Behavior of Quinary Osmate and Ruthenate Double Perovskites LaABB'O6(A = Ca, Sr; B = Co, Ni; B' = Ru, Os).

    Science.gov (United States)

    Morrow, Ryan; McGuire, Michael A; Yan, Jiaqiang; Woodward, Patrick M

    2018-02-23

    Six LaABB'O 6 (A = Ca, Sr; B = Co, Ni; B' = Ru, Os) double perovskites were synthesized, several for the first time, and their crystal structures and magnetic behavior were characterized with neutron powder diffraction and direct-current and alternating-current magnetometry. All six compounds crystallize with P2 1 /n space group symmetry, resulting from a - a - c + octahedral tilting and complete rock salt ordering of transition-metal ions. Despite the electronic configurations of the transition-metal ions, either d 8 -d 3 or d 7 -d 3 , not one of the six compounds shows ferromagnetism as predicted by the Goodenough-Kanamori rules. LaSrNiOsO 6 , LaSrNiRuO 6 , and LaCaNiRuO 6 display long-range antiferromagnetic order, while LaCaNiOsO 6 , LaCaCoOsO 6 , and LaSrCoOsO 6 exhibit spin-glass behavior. These compounds are compared to the previously studied LaCaCoRuO 6 and LaSrCoRuO 6 , both of which order antiferromagnetically. The observed variations in magnetic properties can be attributed largely to the response of competing superexchange pathways due to changes in B-O-B' bond angles, differences in the radial extent of the 4d (B' = Ru) and 5d (B' = Os) orbitals, and filling of the t 2g orbitals of the 3d ion.

  18. Nanostructural drug-inorganic clay composites: Structure, thermal property and in vitro release of captopril-intercalated Mg Al-layered double hydroxides

    Science.gov (United States)

    Zhang, Hui; Zou, Kang; Guo, Shaohuan; Duan, Xue

    2006-06-01

    A nanostructural drug-inorganic clay composite involving a pharmaceutically active compound captopril (Cpl) intercalated Mg-Al-layered double hydroxides (Cpl-LDHs) with Mg/Al molar ratio of 2.06 has been assembled by coprecipitation method. Powder X-ray diffraction (XRD), Fourier transform infrared spectra (FT-IR) and Raman spectra analysis indicate a successful intercalation of Cpl between the layers with a vertical orientation of Cpl disulphide-containing S-S linkage. SEM photo indicates that as-synthesized Cpl-LDHs possess compact and non-porous structure with approximately and linked elliptical shape particles of ca. 50 nm. TG-DTA analyses suggest that the thermal stability of intercalated organic species is largely enhanced due to host-guest interaction involving the hydrogen bond compared to pure form before intercalation. The in vitro release studies show that both the release rate and release percentages markedly decrease with increasing pH from 4.60 to 7.45 due to possible change of release mechanism during the release process. The kinetic simulation for the release data, and XRD and FT-IR analyses for samples recovered from release media indicate that the dissolution mechanism is mainly responsible for the release behaviour of Cpl-LDHs at pH 4.60, while the ion-exchange one is responsible for that at pH 7.45.

  19. Molecular structures and hydrogen bonding in the crystalline hydrates of two flexible double betaines with different quaternary ammonio groups in the adipic acid skeleton

    Science.gov (United States)

    Wu, De-Dong; Mak, Thomas C. W.

    1995-12-01

    Crystalline dihydrates of two flexible double betaines -O 2CCH(R)CH 2CH 2CH(R)CO -2 ( 1, R = Me 3N +, 2, R = C 5H 5N +) have been characterized by single-crystal X-ray analysis. Both compounds crystallize in the monoclinic space group {P2 1}/{c} with a = 7.463(4), b = 10.312(6), c = 9.978(5) Å, β = 90.18(5)°, Z = 2 for 1·2H 2O and a = 9.063(2), b = 7.665(1), c = 11.962(1) Å, β = 94.89(1)°, Z = 2 for 2·2H 2O. Both betaine molecules occupy l¯ sites but differ with regard to the orientation of the carboxylate groups and ammonio groups. In each crystal structure, the formation of donor hydrogen bonds from the water molecules to adjacent carboxylate groups gives rise to an infinte two-dimensional network composed of a packing of identical 26-membered rings.

  20. 2D double-layer-tube-shaped structure Bi{sub 2}S{sub 3}/ZnS heterojunction with enhanced photocatalytic activities

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Xiaoming, E-mail: dawn1026@163.com [Department of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Chemical Reaction Engineering, Yan' an University, Yanan, Shaanxi 716000 (China); Wang, Zihang; Fu, Feng [Department of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Chemical Reaction Engineering, Yan' an University, Yanan, Shaanxi 716000 (China); Li, Xiang [Department of Chemistry and Chemical Engineering, Shaanxi Key Laboratory of Chemical Reaction Engineering, Yan' an University, Yanan, Shaanxi 716000 (China); Department of Chemical Engineering, Northwest University, Xian, Shaanxi 710069 (China); Li, Wenhong [Department of Chemical Engineering, Northwest University, Xian, Shaanxi 710069 (China)

    2015-10-01

    Bi{sub 2}S{sub 3}/ZnS heterojunction with 2D double-layer-tube-shaped structures was prepared by the facile synthesis method. The corresponding relationship was obtained among loaded content to phase, morphology, and optical absorption property of Bi{sub 2}S{sub 3}/ZnS composite. The results shown that Bi{sub 2}S{sub 3} loaded could evidently change the crystallinity of ZnS, enhance the optical absorption ability for visible light of ZnS, and improve the morphologies and microstructure of ZnS. The photocatalytic activities of the Bi{sub 2}S{sub 3}/ZnS sample were evaluated for the photodegradation of phenol and desulfurization of thiophene under visible light irradiation. The results showed that Bi{sub 2}S{sub 3} loaded greatly improved the photocatalytic activity of ZnS, and the content of loaded Bi{sub 2}S{sub 3} had an impact on the catalytic activity of ZnS. Moreover, the mechanism of enhanced photocatalytic activity was also investigated by analysis of relative band positions of Bi{sub 2}S{sub 3} and ZnS, and photo-generated hole was main active radicals during photocatalytic oxidation process.

  1. Identification of novel benzimidazole derivatives as anti-Trypanosoma cruzi agents: solid-phase synthesis, structure-activity relationships and molecular docking studies.

    Science.gov (United States)

    Ríos, Natalia; Varela, Javier; Birriel, Estefania; González, Mercedes; Cerecetto, Hugo; Merlino, Alicia; Porcal, Williams

    2013-10-01

    In this paper, we report the solid-phase synthesis of 33 novel 1,2,5-tri-substituted benzimidazole derivatives and their in vitro activity on cruzipain and Trypanosoma cruzi epimastigotes. Seven compounds were potent inhibitors of T. cruzi growth with IC50 values in the range 6-16 µM. Applying structure-activity relationships and principal component analysis strategies we were able to determine ring substituent effects and physicochemical properties that are important for the antichagasic activity of these novel derivatives, as well as get an insight into their possible mechanisms of action. Molecular docking studies revealed the binding orientation of the ligands in the active site of cruzipain providing new guidelines for the further design of better inhibitors. Compound 2a constitute a promising hit compound for novel anti-T. cruzi agents showing that the benzimidazole scaffold may represent an interesting therapeutic alternative for the treatment of Chagas disease.

  2. Study on the structure-properties relationship of natural rubber/SiO2 composites modified by a novel multi-functional rubber agent

    Directory of Open Access Journals (Sweden)

    S. Y. Yang

    2014-06-01

    Full Text Available Vulcanization property and structure-properties relationship of natural rubber (NR/silica (SiO2 composites modified by a novel multi-functional rubber agent, N-phenyl- N'-(γ-triethoxysilane-propyl thiourea (STU, are investigated in detail. Results from the infrared spectroscopy (IR and X-ray photoelectron spectroscopy (XPS show that STU can graft to the surface of SiO2 under heating, resulting in a fine-dispersed structure in the rubber matrix without the connectivity of SiO2 particles as revealed by transmission electron microscopy (TEM. This modification effect reduces the block vulcanization effect of SiO2 for NR/SiO2/STU compounds under vulcanization process evidently. The 400% modulus and tensile strength of NR/SiO2/STU composites are much higher than that of NR/SiO2/TU composites, although the crystal index at the stretching ratio of 4 and crosslinking densities of NR/SiO2 composites are almost the same at the same dosage of SiO2. Consequently, a structure-property relationship of NR/SiO2/STU composites is proposed that the silane chain of STU can entangle with NR molecular chains to form an interfacial region, which is in accordance with the experimental observations quite well.

  3. Microtubule-Destabilizing Agents: Structural and Mechanistic Insights from the Interaction of Colchicine and Vinblastine with Tubulin

    Science.gov (United States)

    Gigant, B.; Cormier, A.; Dorléans, A.; Ravelli, R. B. G.; Knossow, M.

    Microtubules (MTs) are dynamic structures of the eukaryotic cytoskeleton that, during cell division, form the mitotic spindle. Perturbing them leads to mitotic arrest and ultimately to cell death. Consistently, MTs and their building block, αβ tubulin, are one of the best characterized targets in anti-cancer chemotherapy. Drugs that interfere with MTs either stabilize or destabilize them. The latter class is the subject of this review. These ligands bind to the colchicine site or to the vinca domain, two distinct sites located at a distance from each other on tubulin. Nevertheless the effects of both classes of ligands share a common theme, they prevent the formation of MT specific contacts, therefore triggering their disassembly.

  4. The structure, function, and importance of ceramides in skin and their use as therapeutic agents in skin-care products.

    Science.gov (United States)

    Meckfessel, Matthew H; Brandt, Staci

    2014-07-01

    Ceramides (CERs) are epidermal lipids that are important for skin barrier function. Much research has been devoted to identifying the numerous CERs found in human skin and their function. Alterations in CER content are associated with a number of skin diseases such as atopic dermatitis. Newer formulations of skin-care products have incorporated CERs into their formulations with the goal of exogenously applying CERs to help skin barrier function. CERs are a complex class of molecules and because of their growing ubiquity in skin-care products, a clear understanding of their role in skin and use in skin-care products is essential for clinicians treating patients with skin diseases. This review provides an overview of the structure, function, and importance of skin CERs in diseased skin and how CERs are being used in skin-care products to improve or restore skin barrier function. Copyright © 2014 American Academy of Dermatology, Inc. Published by Mosby, Inc. All rights reserved.

  5. Synthesis, structural, magnetic and phase-transition studies of the ferromagnetic La2CoMnO6 double perovskite by symmetry-adapted modes.

    Science.gov (United States)

    Orayech, B; Urcelay-Olabarria, I; López, G A; Fabelo, O; Faik, A; Igartua, J M

    2015-08-21

    A powdered La2CoMnO6 double perovskite was synthesized by the solid-state reaction method, and its crystal structure was investigated by (mode-crystallography) Rietveld analysis using X-ray and neutron powder diffraction data. La2CoMnO6 material is a monoclinic perovskite at room temperature, adopting the space group P21/n (a(-)a(-)b(+)), , c ≈ 2ap and Z = 2. The P21/n phase can be described effectively by three distortion modes (GM4(+), X3(+), X5(+)) of the Fm3[combining macron]m (a(0)a(0)a(0)) parent phase. The comparative study of the material and those in the Ln2CoMnO6 and Ln2NiMnO6 families has shown a general trend in nearly all the materials, has served to select a common direction in the sub-space spanned by X5(+), tri-linearly coupled to the order parameters of the cubic to monoclinic first order phase transition. This direction has been used to parametrize the refinements and to perform reliable refinements in the high-temperature intermediate distorted trigonal phase, R3[combining macron] (a(-)a(-)a(-)), for which only one effectively acting irrep has been deduced: GM5(+), physically a tilt of the oxygen sharing octahedra of Co and Mn. Its temperature evolution up to the prototype cubic phase has been fitted in the framework of the Landau Theory of Phase Transitions, showing a behavior typical of a tricritical point. The low-temperature neutron powder diffraction data have served to solve the magnetic structure: three indistinguishable ferromagnetic models with the space groups P21/n and P2/n' are proposed.

  6. Tumour necrosis factor blockade for the treatment of erosive osteoarthritis of the interphalangeal finger joints: a double blind, randomised trial on structure modification.

    Science.gov (United States)

    Verbruggen, Gust; Wittoek, Ruth; Vander Cruyssen, Bert; Elewaut, Dirk

    2012-06-01

    Adalimumab blocks the action of tumor necrosis factor-α and reduces disease progression in rheumatoid arthritis and psoriatic arthritis. The effects of adalimumab in controlling progression of structural damage in erosive hand osteoarthritis (HOA) were assessed. Sixty patients with erosive HOA on radiology received 40 mg adalimumab or placebo subcutaneously every two weeks during a 12-month randomized double-blind trial. Response was defined as the reduction in progression of structural damage according to the categorical anatomic phase scoring system. Furthermore, subchondral bone, bone plate erosion, and joint-space narrowing were scored according to the continuous Ghent University Score System (GUSSTM). The disease appeared to be active since 40.0% and 26,7% of patients out of the placebo and adalimumab group, respectively, showed at least one new interphalangeal (IP) joint that became erosive during the 12 months follow-up. These differences were not significant and the overall results showed no effect of adalimumab. Risk factors for progression were then identified and the presence of palpable soft tissue swelling at baseline was recognized as the strongest predictor for erosive progression. In this subpopulation at risk, statistically significant less erosive evolution on the radiological image (3.7%) was seen in the adalimumab treated group compared to the placebo group (14.5%) (P = 0.009). GUSSTM scoring confirmed a less rapid rate of mean increase in the erosion scores during the first 6 months of treatment in patients in adalimumab-treated patients. Palpable soft tissue swelling in IP joints in patients with erosive HOA is a strong predictor for erosive progression. In these joints adalimumab significantly halted the progression of joint damage compared to placebo.

  7. Several Human Cyclin-Dependent Kinase Inhibitors, Structurally Related to Roscovitine, As New Anti-Malarial Agents

    Directory of Open Access Journals (Sweden)

    Sandrine Houzé

    2014-09-01

    Full Text Available In Africa, malaria kills one child each minute. It is also responsible for about one million deaths worldwide each year. Plasmodium falciparum, is the protozoan responsible for the most lethal form of the disease, with resistance developing against the available anti-malarial drugs. Among newly proposed anti-malaria targets, are the P. falciparum cyclin-dependent kinases (PfCDKs. There are involved in different stages of the protozoan growth and development but share high sequence homology with human cyclin-dependent kinases (CDKs. We previously reported the synthesis of CDKs inhibitors that are structurally-related to (R-roscovitine, a 2,6,9-trisubstituted purine, and they showed activity against neuronal diseases and cancers. In this report, we describe the synthesis and the characterization of new CDK inhibitors, active in reducing the in vitro growth of P. falciparum (3D7 and 7G8 strains. Six compounds are more potent inhibitors than roscovitine, and three exhibited IC50 values close to 1 µM for both 3D7 and 7G8 strains. Although, such molecules do inhibit P. falciparum growth, they require further studies to improve their selectivity for PfCDKs.

  8. Synthesis, structural characterization of nano ZnTiO3 ceramic: An effective azo dye adsorbent and antibacterial agent

    Directory of Open Access Journals (Sweden)

    R.S. Raveendra

    2014-12-01

    Full Text Available Nanocrystalline meta-zinc titanate (ZnTiO3 ceramic was prepared using a self-propagating solution combustion synthesis (SCS for the first time using urea as fuel. The product was calcined at 800 °C for 2 h to improve the crystallinity. Powder X-ray diffraction (PXRD, Fourier transform infrared spectroscopy (FTIR, scanning electron microscopy (SEM, energy-dispersive X-ray spectroscopy (EDAX, high resolution transmission electron microscopy (HR-TEM and UV–vis absorption spectroscopy were used to characterize the final product. PXRD results show that the ilmenite type rhombohedral structure was formed when the sample was calcined at 800 °C for 2 h. Adsorption experiments were performed with cationic malachite green (MG dye. ∼96% dye was adsorbed onto nanocrystalline ZnTiO3 ceramic at pH 9 for 30 min of the contact time. The optimum adsorbent dose was found to be 0.45 g/L of dye. Langmuir–Hinshelwood model was used to study adsorption kinetics and first order kinetic model best describes the MG adsorption on ZnTiO3. Antibacterial activity was investigated against gram negative Klebsiella aerogenes, Pseudomonas desmolyticum, Escherichia coli, and gram positive Staphylococcus aureus bacteria by agar well diffusion method. Nanocrystalline ZnTiO3 ceramic showed significant effect on all the four bacterial strains at the concentration of 1000 and 1500 μg per well.

  9. Design and Stereochemical Research (DFT, ECD and Crystal Structure of Novel Bedaquiline Analogs as Potent Antituberculosis Agents

    Directory of Open Access Journals (Sweden)

    Yiding Geng

    2016-07-01

    Full Text Available A series of bedaquiline analogs containing H-bond donors were designed as anti-Mycobacterium tuberculosis drugs. A pair of diastereoisomers (R/S- and S/S-isomers was selected from these designed compounds for synthetic and stereochemical research. The title compounds were synthesized from chiral precursors for the first time and the absolute configurations (ACs were determined by electronic circular dichroism (ECD with quantum chemical calculations. Moreover, a single crystal of the S/S compound was obtained for X-ray diffraction analysis, and the crystal structure showed high consistency with the geometry, confirming the reliability of ACs obtained by ECD analyses and theoretical simulation. Furthermore, the effect of stereochemistry on the anti-tuberculosis activity was investigated. The MICs of the R/S- and S/S-isomers against Mycobacterium phlei 1180 are 9.6 and 32.1 μg·mL−1, respectively. Finally, molecular docking was carried out to evaluate the inhibitory nature and binding mode differences between diastereoisomers.

  10. Nano structure zinc (II) Schiff base complexes of a N3-tridentate ligand as new biological active agents: spectral, thermal behaviors and crystal structure of zinc azide complex.

    Science.gov (United States)

    Montazerozohori, M; Mojahedi Jahromi, S; Masoudiasl, A; McArdle, P

    2015-03-05

    In this work, synthesis of some new five coordinated zinc halide/pseudo-halide complexes of a N3-tridentate ligand is presented. All complexes were subjected to spectroscopic and physical methods such as FT-IR, UV-visible, (1)H and (13)C NMR spectra, thermal analyses and conductivity measurements for identification. Based on spectral data, the general formula of ZnLX2 (X=Cl(-), Br(-), I(-), SCN(-) and N3(-)) was proposed for the zinc complexes. Zinc complexes have been also prepared in nano-structure sizes under ultrasonic irradiation. X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were applied for confirmation of nano-structure character for the complexes. Among the complexes, zinc azide complex structure was analyzed by X-ray crystallography. This complex crystallizes as a triplet in trigonal system with space group of P31. The coordination sphere around the zinc center is well shown as a distorted trigonal bipyramidal with three nitrogen atoms from Schiff base ligand and two terminal azide nitrogen atoms attached to zinc ion. Various intermolecular interactions such as NH⋯N, CH⋯N and CH⋯π hydrogen bonding interactions stabilize crystalline lattice so that they causes a three dimensional supramolecular structure for the complex. In vitro screening of the compounds for their antimicrobial activities showed that ZnLI2, ZnL(N3)2, ZnLCl2 and ZnL(NCS)2 were found as the most effective compound against bacteria of Bacillus subtilis, Staphylococcus aureus, Pseudomonas aeruginosa and Escherichia coli respectively. Also ZnLI2 and ZnLCl2 complexes were found more effective against two selected fungi than others. Finally, thermal behaviors of the zinc complexes showed that they are decomposed via 2-4 thermal steps from room temperature up to 1000°C. Copyright © 2014 Elsevier B.V. All rights reserved.

  11. Cobalt(III) complexes as potential anticancer agents: Physicochemical, structural, cytotoxic activity and DNA/protein interactions.

    Science.gov (United States)

    Thamilarasan, V; Sengottuvelan, N; Sudha, A; Srinivasan, P; Chakkaravarthi, G

    2016-09-01

    Cobalt(III) complexes (1-3) such as [Co(acac)(bpy)(N3)2·H2O] 1, [Co(acac)(en)(N3)2] 2, and [Co(acac)(2-pic)(N3)2] 3 (where, acac=acetylacetone, bpy=2.2'-bipyridine, en=ethylenediamine, 2-pic=2-picolylamine and NaN3=sodium azide) were synthesized and characterized. The structure of complexes (1-3) has been determined by single crystal X-ray diffraction studies and the configuration around cobalt(III) ion was distorted octahedral coordination geometry. Density functional theory calculations were performed to examine the molecular geometry and frontier molecular orbital properties of complexes (1-3). DNA binding properties of the cobalt(III) complexes with calf thymus DNA (CT-DNA) were investigated by UV-visible absorption, fluorescence, circular dichroism spectroscopy and viscosity measurements. The docking studies showed the preferred orientation of sterically acceptable Co(III) complexes (1, 2) inside the DNA through the mode of intercalation, whereas complex 3 exhibited minor groove binding modes. The intrinsic binding constants Kb of complexes (1-3) with CT-DNA were in the following order 1>3>2. Complexes (1-3) exhibit a good binding propensity to bovine serum albumin (BSA) and gel electrophoresis assay demonstrated that the complexes (1-3) promote the cleavage of the pBR322 DNA in the presence of 3-mercaptopropionic acid (MPA) and cleavage process was found to proceed by singlet oxygen cleavage mechanism. Further, the in vitro cytotoxicity studies of complexes (1-3) were tested on human breast cancer cell line (MCF-7). Copyright © 2016. Published by Elsevier B.V.

  12. Population Structure of Geosmithia morbida, the Causal Agent of Thousand Cankers Disease of Walnut Trees in the United States

    Science.gov (United States)

    Graves, Andrew D.; Hartel, Colleen; Pscheidt, Jay W.; Tonos, Jadelys; Broders, Kirk; Cranshaw, Whitney; Seybold, Steven J.; Tisserat, Ned

    2014-01-01

    The ascomycete Geosmithia morbida and the walnut twig beetle Pityophthorus juglandis are associated with thousand cankers disease of Juglans (walnut) and Pterocarya (wingnut). The disease was first reported in the western United States (USA) on several Juglans species, but has been found more recently in the eastern USA in the native range of the highly susceptible Juglans nigra. We performed a comprehensive population genetic study of 209 G. morbida isolates collected from Juglans and Pterocarya from 17 geographic regions distributed across 12 U.S. states. The study was based on sequence typing of 27 single nucleotide polymorphisms from three genomic regions and genotyping with ten microsatellite primer pairs. Using multilocus sequence-typing data, 197 G. morbida isolates were placed into one of 57 haplotypes. In some instances, multiple haplotypes were recovered from isolates collected on the same tree. Twenty-four of the haplotypes (42%) were recovered from more than one isolate; the two most frequently occurring haplotypes (H02 and H03) represented 36% of all isolates. These two haplotypes were abundant in California, but were not recovered from Arizona or New Mexico. G. morbida population structure was best explained by four genetically distinct groups that clustered into three geographic regions. Most of the haplotypes isolated from the native range of J. major (Arizona and New Mexico) were found in those states only or present in distinct genetic clusters. There was no evidence of sexual reproduction or genetic recombination in any population. The scattered distribution of the genetic clusters indicated that G. morbida was likely disseminated to different regions at several times and from several sources. The large number of haplotypes observed and the genetic complexity of G. morbida indicate that it evolved in association with at least one Juglans spp. and the walnut twig beetle long before the first reports of the disease. PMID:25393300

  13. Synthesis and quantitative structure activity relationship (QSAR) of arylidene (benzimidazol-1-yl)acetohydrazones as potential antibacterial agents.

    Science.gov (United States)

    El-Kilany, Yeldez; Nahas, Nariman M; Al-Ghamdi, Mariam A; Badawy, Mohamed E I; El Ashry, El Sayed H

    2015-01-01

    Ethyl (benzimidazol-1-yl)acetate was subjected to hydrazinolysis with hydrazine hydrate to give (benzimidazol-1-yl)acetohydrazide. The latter was reacted with various aromatic aldehydes to give the respective arylidene (1H-benzimidazol-1-yl)acetohydrazones. Solutions of the prepared hydrazones were found to contain two geometric isomers. Similarly (2-methyl-benzimidazol-1-yl)acetohydrazide was reacted with various aldehydes to give the corresponding hydrazones. The antibacterial activity was evaluated in vitro by minimum inhibitory concentration (MIC) against Agrobacterium tumefaciens (A. tumefaciens), Erwinia carotovora (E. carotovora), Corynebacterium fascians (C. fascians) and Pseudomonas solanacearum (P. solanacearum). MIC result demonstrated that salicylaldehyde(1H-benzimidazol-1-yl)acetohydrazone (4) was the most active compound (MIC = 20, 35, 25 and 30 mg/L against A. tumefaciens, C. fascians, E. carotovora and P. solanacearum, respectively). Quantitative structure activity relationship (QSAR) investigation using Hansch analysis was applied to find out the correlation between antibacterial activity and physicochemical properties. Various physicochemical descriptors and experimentally determined MIC values for different microorganisms were used as independent and dependent variables, respectively. pMICs of the compounds exhibited good correlation (r = 0.983, 0.914, 0.960 and 0.958 for A. tumefaciens, C. fascians, E. carotovora and P. solanacearum, respectively) with the prediction made by the model. QSAR study revealed that the hydrophobic parameter (ClogP), the aqueous solubility (LogS), calculated molar refractivity, topological polar surface area and hydrogen bond acceptor were found to have overall significant correlation with antibacterial activity. The statistical results of training set, correlation coefficient (r and r (2)), the ratio between regression and residual variances (f, Fisher's statistic), the standard error of estimates and

  14. Fluoroquinolone antimicrobial agents.

    OpenAIRE

    Wolfson, J S; Hooper, D C

    1989-01-01

    The fluoroquinolones, a new class of potent orally absorbed antimicrobial agents, are reviewed, considering structure, mechanisms of action and resistance, spectrum, variables affecting activity in vitro, pharmacokinetic properties, clinical efficacy, emergence of resistance, and tolerability. The primary bacterial target is the enzyme deoxyribonucleic acid gyrase. Bacterial resistance occurs by chromosomal mutations altering deoxyribonucleic acid gyrase and decreasing drug permeation. The dr...

  15. Rational design of novel anti-microtubule agent (9-azido-noscapine) from quantitative structure activity relationship (QSAR) evaluation of noscapinoids.

    Science.gov (United States)

    Santoshi, Seneha; Naik, Pradeep K; Joshi, Harish C

    2011-10-01

    An anticough medicine, noscapine [(S)-3-((R)4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxyiso-benzofuran-1(3H)-one], was discovered in the authors' laboratory as a novel type of tubulin-binding agent that mitigates polymerization dynamics of microtubule polymers without changing overall subunit-polymer equilibrium. To obtain systematic insight into the relationship between the structural framework of noscapine scaffold and its antitumor activity, the authors synthesized strategic derivatives (including two new ones in this article). The IC(50) values of these analogs vary from 1.2 to 56.0 µM in human acute lymphoblastic leukemia cells (CEM). Geometrical optimization was performed using semiempirical quantum chemical calculations at the 3-21G* level. Structures were in agreement with nuclear magnetic resonance analysis of molecular flexibility in solution and crystal structures. A genetic function approximation algorithm of variable selection was used to generate the quantitative structure activity relationship (QSAR) model. The robustness of the QSAR model (R(2) = 0.942) was analyzed by values of the internal cross-validated regression coefficient (R(2) (LOO) = 0.815) for the training set and determination coefficient (R(2) (test) = 0.817) for the test set. Validation was achieved by rational design of further novel and potent antitumor noscapinoid, 9-azido-noscapine, and reduced 9-azido-noscapine. The experimentally determined value of pIC(50) for both the compounds (5.585 M) turned out to be very close to predicted pIC(50) (5.731 and 5.710 M).

  16. A Composite Agent Architecture for Multi-Agent Simulations

    OpenAIRE

    VanPutte, Michael; Osborn, Brian; Hiles, John

    2002-01-01

    CGF Computer Generated Forces and Behavioral Representation The MOVES Institute’s Computer-Generated Autonomy Group has focused on a research goal of modeling complex and adaptive behavior while at the same time making the behavior easier to create and control. This research has led to several techniques for agent construction, that includes a social and organization relationship management engine, a composite agent architecture, an agent goal apparatus, a structure for capturi...

  17. Effect of Pore Structure and Chemistry on the Performance of Activated Oil Sands Petroleum Coke Electrodes for use in Electrochemical Double-Layer Capacitors

    Science.gov (United States)

    Zuliani, Jocelyn Ellen

    Electrical energy storage is a limiting barrier to widespread usage and commercialization of sustainable and renewable energy sources, such as wind and solar energy, as well as integration of electric vehicles. Electrochemical double-layer capacitors (EDLCs) are a promising energy storage technology that offers the benefits of high power density, long cycle life, rapid charging rates, and moderate energy density. The energy storage mechanism of EDLCs is physical ion adsorption on the surface of porous carbon electrodes. This thesis is an investigation of three different sections relating to EDLCs: 1) techniques to properly characterize novel porous carbon electrode materials, 2) investigation of activated oil sands petroleum coke (APC) as the electrode material for EDLCs, and 3) a systematic study of the effects of porous carbon structure and chemistry on EDLC performance. In the first section, it was shown that variations in operating conditions and testing techniques can lead to discrepancies in measured and reported capacitance. Therefore, it was concluded that a standardized approach is necessary in order to properly compare different porous carbon electrodes. In the second section, APC was investigated as a novel electrode material for EDLCs. PetCoke is a carbon dense material that can be activated with potassium hydroxide to generate high surface area porous carbon materials. These materials show promising electrochemical performance in EDLCs, with capacitance values up to 400 Fg-1 in 4M potassium hydroxide aqueous electrolytes, depending on the operating conditions. Additionally, the power density of these materials is comparable to that of other carbon nanomaterials, which are more costly and challenging to produce. Finally, the third section investigates the relationship between measured capacitance, and carbon macrostructure, meso-structure, microstructure, and oxygen content. In each of these studies, the desired parameter was varied, while all others

  18. A DFT Study of Some Structural and Spectral Properties of 4-Methoxyacetophenone Thiosemicarbazone and Its Complexes with Some Transition Metal Chlorides: Potent Antimicrobial Agents

    Directory of Open Access Journals (Sweden)

    Julius Numbonui Ghogomu

    2016-01-01

    Full Text Available Recent studies have shown that 4-methoxyacetophenone thiosemicarbazone (MAPTSC and its complexes with some transition metal chlorides are potent antimicrobial agents. To deepen the understanding of their structure-activity relationships necessary for rational drug design, their structural and spectral properties, along with thione-thiol tautomerism of MAPTSC, have been studied herein using the density functional theory (DFT. From our results, the thione tautomer of MAPTSC is more stable than the thiol counterpart in ethanolic solution, and thione-to-thiol tautomerization is highly precluded at ambient temperature (25°C by a high barrier height ≈46.41 kcal/mol. MAPTSC can therefore exist as a mixture of the thione (major and thiol (minor tautomers in ethanolic solution at room and higher temperatures. Conformational analysis has revealed five possible conformers of the thione tautomer, of which two are stable enough to be isolated at 25°C. Based on our computed values of MAPTSC-metal(II binding energies, enthalpies, and Gibbs free energies, the thione tautomer of MAPTSC exhibits a higher affinity for the d8 metal ions Ni(II, Pd(II, and Pt(II and can therefore efficiently chelate them in chemical and biological systems. Natural population analysis has revealed ligand-metal charge transfer in the MAPTSC complexes studied. A good agreement has been found between calculated and experimentally observed spectral properties (IR, UV-Vis, and NMR.

  19. Titanium(IV) in the organic-structure-directing-agent-free synthesis of hydrophobic and large-pore molecular sieves as redox catalysts.

    Science.gov (United States)

    Wang, Jingui; Yokoi, Toshiyuki; Kondo, Junko N; Tatsumi, Takashi; Zhao, Yanli

    2015-08-10

    Titanium(IV) incorporated into the framework of molecular sieves can be used as a highly active and sustainable catalyst for the oxidation of industrially important organic molecules. Unfortunately, the current process for the incorporation of titanium(IV) requires a large amount of expensive organic molecules used as organic-structure-directing agents (OSDAs), and this significantly increases the production costs and causes environmental problems owing to the removal of OSDAs by pyrolysis. Herein, an OSDA-free process was developed to incorporate titanium(IV) into BEA-type molecular sieves for the first time. More importantly, the hydrophobic environment and the robust, 3 D, and large pore structure of the titanium(IV)-incorporated molecular sieves fabricated from the OSDA-free process created a catalyst that was extremely active and selective for the epoxidation of bulky cyclooctene in comparison to Ti-incorporated BEA-type molecular sieves synthesized with OSDAs and commercial titanosilicate TS-1. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. CO Sensing Performance of a Micro Thermoelectric Gas Sensor with AuPtPd/SnO₂ Catalyst and Effects of a Double Catalyst Structure with Pt/α-Al₂O₃.

    Science.gov (United States)

    Goto, Tomoyo; Itoh, Toshio; Akamatsu, Takafumi; Shin, Woosuck

    2015-12-15

    The CO sensing properties of a micro thermoelectric gas sensor (micro-TGS) with a double AuPtPd/SnO₂ and Pt/α-Al₂O₃ catalyst were investigated. While several nanometer sized Pt and Pd particles were uniformly dispersed on SnO₂, the Au particles were aggregated as particles measuring >10 nm in diameter. In situ diffuse reflectance Fourier transform Infrared spectroscopy (DRIFT) analysis of the catalyst showed a CO adsorption peak on Pt and Pd, but no clear peak corresponding to the interaction between CO and Au was detected. Up to 200 °C, CO combustion was more temperature dependent than that of H₂, while H₂ combustion was activated by repeated exposure to H₂ gas during the periodic gas test. Selective CO sensing of the micro-TGS against H₂ was attempted using a double catalyst structure with 0.3-30 wt% Pt/α-Al₂O₃ as a counterpart combustion catalyst. The sensor output of the micro-TGS decreased with increasing Pt content in the Pt/α-Al₂O₃ catalyst, by cancelling out the combustion heat from the AuPtPd/SnO₂ catalyst. In addition, the AuPtPd/SnO₂ and 0.3 wt% Pt/α-Al₂O₃ double catalyst sensor showed good and selective CO detection. We therefore demonstrated that our micro-TGS with double catalyst structure is useful for controlling the gas selectivity of CO against H₂.