WorldWideScience

Sample records for based ternary compounds

  1. Ternary alloys based on ii-vi semiconductor compounds

    CERN Document Server

    Tomashyk, Vasyl; Shcherbak, Larysa

    2013-01-01

    Phase Equilibria in the Systems Based on ZnSSystems Based on ZnSeSystems Based on ZnTeSystems Based on CdSSystem Based on CdSeSystem Based on CdTeSystems Based on HgSSystems Based on HgSeSystems Based on HgTeIndexReferences appear at the end of each chapter.

  2. Ternary alloys based on II-VI semiconductor compounds

    CERN Document Server

    Tomashyk, Vasyl; Shcherbak, Larysa

    2013-01-01

    Phase Equilibria in the Systems Based on ZnSSystems Based on ZnSeSystems Based on ZnTeSystems Based on CdSSystem Based on CdSeSystem Based on CdTeSystems Based on HgSSystems Based on HgSeSystems Based on HgTeIndexReferences appear at the end of each chapter.

  3. Stability and electronic structure of Zr-based ternary metallic glasses and relevant compounds

    International Nuclear Information System (INIS)

    Hasegawa, M.; Soda, K.; Sato, H.; Suzuki, T.; Taketomi, T.; Takeuchi, T.; Kato, H.; Mizutani, U.

    2007-01-01

    The electronic structure of the Zr-based metallic glasses has been investigated by theoretical and experimental approaches. One approach is band calculations of the Zr 2 Ni (Zr 66.7 Ni 33.3 ) compound to investigate the electronic structure of the Zr 66.7 Ni 33.3 metallic glass (ΔT x = 0 K) of which the local atomic structure is similar to that of the Zr 2 Ni compound. The other is photoemission spectroscopy of the Zr 50 Cu 35 Al 15 bulk metallic glass (BMG) (ΔT x = 69 K). Here ΔT x = T x - T g where T x and T g are crystallization and glass transition temperature, respectively. Both results and previous ones on the Zr 55 Cu 30 Ni 5 Al 10 BMG indicate that there is a pseudogap at the Fermi level in the electronic structure of these Zr-based metallic glasses, independent of the value of the ΔT x . This implies that the pseudogap at the Fermi level is one of the factors that stabilize the glass phase of Zr-based metallic glasses

  4. Ferromagnetic quantum criticality in the uranium-based ternary compounds URhSi, URhAl, and UCoAl

    International Nuclear Information System (INIS)

    Combier, Tristan

    2014-01-01

    In this thesis we explore the ferromagnetic quantum criticality in three uranium-based ternary compounds, by means of thermodynamical and transport measurements on single crystal samples, at low temperature and high pressure. URhSi and URhAl are itinerant ferromagnets, while UCoAl is a paramagnet being close to a ferromagnetic instability. All of them have Ising-type magnetic ordering. In the orthorhombic compound URhSi, we show that the Curie temperature decreases upon applying a magnetic field perpendicular to the easy magnetization axis, and a quantum phase transition is expected around 40 T. In the hexagonal system URhAl, we establish the pressure-temperature phase diagram for the first time, indicating a quantum phase transition around 5 GPa. In the isostructural compound UCoAl, we investigate the metamagnetic transition with measurements of magnetization, Hall effect, resistivity and X-ray magnetic circular dichroism. Some intriguing magnetic relaxation phenomena are observed, with step-like features. Hall effect and resistivity have been measured at dilution temperatures, under hydrostatic pressure up to 2.2 GPa and magnetic field up to 16 T. The metamagnetic transition terminates under pressure and magnetic field at a quantum critical endpoint. In this region, a strong effective mass enhancement occurs, and an intriguing difference between up and down field sweeps appears in transverse resistivity. This may be the signature of a new phase, supposedly linked to the relaxation phenomena observed in magnetic measurements, arising from frustration on the quasi-Kagome lattice of uranium atoms in this crystal structure. (author) [fr

  5. (Liquid + liquid) equilibrium at T = 298.15 K for ternary mixtures of alkane + aromatic compounds + imidazolium-based ionic liquids

    International Nuclear Information System (INIS)

    Domínguez, Irene; Requejo, Patricia F.; Canosa, José; Domínguez, Ángeles

    2014-01-01

    Highlights: • The LLE ternary phase diagrams with 2 imidazolium-based ionic liquids were measured. • The LLE data were experimental determined at T = 298.15 K and p = 1 atm. • Mixtures of (octane or nonane) and (benzene or toluene or ethylbenzene) were studied. • LLE experimental data were correlated with NRTL and UNIQUAC thermodynamic models. - Abstract: Ionic liquids, with their unique and tunable properties, can be an advantageous alternative as extractive solvents in separation processes involving systems containing aliphatic and aromatic hydrocarbons. In this work, (liquid + liquid) equilibrium (LLE) data for the ternary systems {nonane (1) + benzene (2) + 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [BMim][NTf 2 ] (3)}, {octane (1) + benzene (2) + 1-methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide, [PMim][NTf 2 ] (3)}, and {nonane (1) + aromatic compound (benzene or toluene or ethylbenzene) (2) + [PMim][NTf 2 ] (3)} were determined at T = 298.15 K and atmospheric pressure. Selectivity and solute distribution ratio, derived from the equilibrium data, were used to determine if this ionic liquid can be considered as a potential solvent for the separation of aromatic compounds (benzene, toluene, and ethylbenzene) from alkanes (octane and nonane). The experimental data were satisfactorily correlated with NRTL and UNIQUAC models

  6. Crystal Growth of Ternary Compound Semiconductors in Low Gravity Environment

    Science.gov (United States)

    Su, Ching-Hua

    2014-01-01

    A low gravity material experiment will be performed in the Material Science Research Rack (MSRR) on International Space Station (ISS). There are two sections of the flight experiment: (I) crystal growth of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, by physical vapor transport (PVT) and (II) melt growth of CdZnTe by directional solidification. The main objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the grown crystals as results of buoyancy-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. This talk will focus on the ground-based studies on the PVT crystal growth of ZnSe and related ternary compounds. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

  7. Lattice anisotropy in uranium ternary compounds

    DEFF Research Database (Denmark)

    Maskova, S.; Adamska, A.M.; Havela, L.

    2012-01-01

    Several U-based intermetallic compounds (UCoGe, UNiGe with the TiNiSi structure type and UNiAl with the ZrNiAl structure type) and their hydrides were studied from the point of view of compressibility and thermal expansion. Confronted with existing data for the compounds with the ZrNiAl structure...

  8. Lattice anisotropy in uranium ternary compounds: UTX

    International Nuclear Information System (INIS)

    Mašková, S.; Adamska, A.M.; Havela, L.; Kim-Ngan, N.-T.H.; Przewoźnik, J.; Daniš, S.; Kothapalli, K.; Kolomiets, A.V.; Heathman, S.; Nakotte, H.; Bordallo, H.

    2012-01-01

    Highlights: ► Compressibility and thermal expansion of several U-based compounds were established. ► The direction of the U–U bonds is the “soft” crystallographic direction. ► Highest coefficient of linear thermal expansion is in the direction of the U–U bonds. ► The closer the U atoms are together the better they can be compressed together. - Abstract: Several U-based intermetallic compounds (UCoGe, UNiGe with the TiNiSi structure type and UNiAl with the ZrNiAl structure type) and their hydrides were studied from the point of view of compressibility and thermal expansion. Confronted with existing data for the compounds with the ZrNiAl structure type a common pattern emerges. The direction of the U–U bonds with participation of the 5f states is distinctly the “soft” crystallographic direction, exhibiting also the highest coefficient of linear thermal expansion. The finding leads to an apparent paradox: the closer the U atoms are together in a particular direction the better they can be additionally compressed together by applied hydrostatic pressure.

  9. Neutron Damage and MAX Phase Ternary Compounds

    International Nuclear Information System (INIS)

    Barsoum, Michael; Hoffman, Elizabeth; Sindelar, Robert; Garcua-Diaz, Brenda; Kohse, Gordon

    2014-01-01

    The Demands of Gen IV nuclear power plants for long service life under neutron radiation at high temperature are severe. Advanced materials that would withstand high temperatures (up to 1000+ C) to high doses in a neutron field would be ideal for reactor internal structures and would add to the long service life and reliability of the reactors. The objective of this work is to investigate the response of a new class of machinable, conductive, layered, ternary transition metal carbides and nitrides - the so-called MAX phases - to low and moderate neutron dose levels.

  10. Neutron Damage and MAX Phase Ternary Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Barsoum, Michael [Drexel Univ., Philadelphia, PA (United States); Hoffman, Elizabeth [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Sindelar, Robert [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Garcua-Duaz, Brenda [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Kohse, Gordon [Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

    2014-06-17

    The Demands of Gen IV nuclear power plants for long service life under neutron radiation at high temperature are severe. Advanced materials that would withstand high temperatures (up to 1000+ C) to high doses in a neutron field would be ideal for reactor internal structures and would add to the long service life and reliability of the reactors. The objective of this work is to investigate the response of a new class of machinable, conductive, layered, ternary transition metal carbides and nitrides - the so-called MAX phases - to low and moderate neutron dose levels.

  11. Thermal decomposition of cesium-ethylene-ternary graphite intercalation compounds

    International Nuclear Information System (INIS)

    Matsumoto, R.; Oishi, Y.; Arii, T.

    2010-01-01

    In this paper, the thermal decomposition of air-stable Cs-ethylene-ternary graphite intercalation compounds (GICs) is discussed. The air stability of Cs-GICs is improved remarkably after the absorption of ethylene into their interlayer nanospace, because the ethylene molecules oligomerize and block the movement of Cs atoms. In addition, the evaporation of Cs atoms from the Cs-ethylene-ternary GICs is observed above 400 o C under a N 2 atmosphere of 100 Pa by ion attachment mass spectrometry. Although the results indicate that Cs-ethylene-ternary GICs remain stable up to approximately 400 o C, their thermal stability is not very high as compared to that of Cs-GICs.

  12. Hardness and Microstructure of Binary and Ternary Nitinol Compounds

    Science.gov (United States)

    Stanford, Malcolm K.

    2016-01-01

    The hardness and microstructure of twenty-six binary and ternary Nitinol (nickel titanium, nickel titanium hafnium, nickel titanium zirconium and nickel titanium tantalum) compounds were studied. A small (50g) ingot of each compound was produced by vacuum arc remelting. Each ingot was homogenized in vacuum for 48 hr followed by furnace cooling. Specimens from the ingots were then heat treated at 800, 900, 1000 or 1100 degree C for 2 hr followed by water quenching. The hardness and microstructure of each specimen was compared to the baseline material (55-Nitinol, 55 at.% nickel - 45 at.% titanium, after heat treatment at 900 degC). The results show that eleven of the studied compounds had higher hardness values than the baseline material. Moreover, twelve of the studied compounds had measured hardness values greater 600HV at heat treatments from 800 to 900 degree C.

  13. Phase equilibria in M-X-X' and M-Al-X ternary systems (M-transition metal, X,X'-B,C,N,Si) and crystal chemistry of ternary compounds

    International Nuclear Information System (INIS)

    Gusev, A.I.

    1996-01-01

    The data on phase equilibria in the M-X-X' and M-Al-X ternary systems (M-transition metal of 3 to 8 groups, X-B,C, N, Si) have been considered and summarized. modern oxygen-free advanced ceramics is based on these ternary systems. Phase diagrams of the 130 ternary systems have been discussed, more than two hundred ternary phases forming in these systems have been systematized and described. The typical crystal structures of ternary compounds and phase have been considered, the common and distinctive features of these structures have been analysed. It has been shown that the ternary compounds with octahedral atomic groups XM 6 have a regions of homogeneity. Refs. 240

  14. Lattice-matched heteroepitaxy of wide gap ternary compound semiconductors

    Science.gov (United States)

    Bachmann, Klaus J.

    A variety of applications are identified for heteroepitaxial structures of wide gap I-III-VI(sub 2) and II-IV-V(sub 2) semiconductors, and are assessed in comparison with ternary III-V alloys and other wide gap materials. Non-linear optical applications of the I-III-VI(sub 2) and II-IV-V(sub 2) compound heterostructures are discussed, which require the growth of thick epitaxial layers imposing stringent requirements on the conditions of heteroepitaxy. In particular, recent results concerning the MOCVD growth of ZnSi(x)Ge(1-x)P2 alloys lattice matching Si or GaP substrates are reviewed. Also, heterostructures of Cu(z)Ag(1-z)GaS2 alloys that lattice-match Si, Ge, GaP, or GaAs substrates are considered in the context of optoelectronic devices operating in the blue wavelength regime. Since under the conditions of MOCVD, metastable alloys of the II-IV-V(sub 2) compounds and group IV elements are realized, II-IV-V(sub 2) alloys may also serve as interlayers in the integration of silicon and germanium with exactly lattice-matched tetrahedrally coordinated compound semiconductors, e.g. ZnSi(x)Ge(1-x)P2.

  15. Ion Beam Nanostructuring of HgCdTe Ternary Compound

    Science.gov (United States)

    Smirnov, Aleksey B.; Savkina, Rada K.; Udovytska, Ruslana S.; Gudymenko, Oleksandr I.; Kladko, Vasyl P.; Korchovyi, Andrii A.

    2017-05-01

    Systematic study of mercury cadmium telluride thin films subjected to the ion beam bombardment was carried out. The evolution of surface morphology of (111) Hg1 - x Cd x Te ( x 0.223) epilayers due to 100 keV B+ and Ag+ ion irradiation was studied by AFM and SEM methods. X-ray photoelectron spectroscopy and X-ray diffraction methods were used for the investigation of the chemical compound and structural properties of the surface and subsurface region. It was found that in the range of nanoscale, arrays of holes and mounds on Hg0.777Cd0.223Te (111) surface as well as the polycrystalline Hg1 - x Cd x Te cubic phase with alternative compound ( x 0.20) have been fabricated using 100 keV ion beam irradiation of the basic material. Charge transport investigation with non-stationary impedance spectroscopy method has shown that boron-implanted structures are characterized by capacity-type impedance whereas for silver-implanted structures, an inductive-type impedance (or "negative capacitance") is observed. A hybrid system, which integrates the nanostructured ternary compound (HgCdTe) with metal-oxide (Ag2O) inclusions, was fabricated by Ag+ ion bombardment. The sensitivity of such metal-oxide-semiconductor hybrid structure for sub-THz radiation was detected with NEP 4.5 × 10-8 W/Hz1/2at ν ≈ 140 GHz and 296 K without amplification.

  16. Synthesis of Be–Ti–V ternary beryllium intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae-Hwan, E-mail: kim.jaehwan@jaea.go.jp; Nakamichi, Masaru

    2015-08-15

    Highlights: • Preliminary synthesis of ternary Be–Ti–V beryllides was investigated. • An area fraction of Be phase increased with increase of V amount in the beryllide because of increasing melting temperature. • The increase of Be phase fraction resulted in increase of weight gain as well as H{sub 2} generation. • The beryllides with lower V contents indicated to better phase stability at high temperature. - Abstract: Beryllium intermetallic compounds (beryllides) such as Be{sub 12}Ti and Be{sub 12}V are the most promising advanced neutron multipliers in demonstration power reactors. Advanced neutron multipliers are being developed by Japan and the EU as part of their Broader Approach activities. It has been previously shown, however, that beryllides are too brittle to fabricate into pebble- or rod-like shapes using conventional methods such as arc melting and hot isostatic pressing. To overcome this issue, we developed a new combined plasma sintering and rotating electrode method for the fabrication of beryllide rods and pebbles. Previously, we prepared a beryllide pebble with a Be–7.7 at.% Ti composition as the stoichiometric value of the Be{sub 12}Ti phase; however, Be{sub 17}Ti{sub 2} and Be phases were present along with the Be{sub 12}Ti phase that formed as the result of a peritectic reaction due to re-melting during granulation using the rotating electrode method. This Be phase was found to be highly reactive with oxygen and water vapor. Accordingly, to investigate the Be phase reduction and applicability for fabrication of electrodes prior to granulation using the rotating electrode method, Be–Ti–V ternary beryllides were synthesized using the plasma sintering method. Surface observation results indicated that increasing plasma sintering time and V addition led to an increase in the intermetallic compound phases compared with plasma-sintered beryllide with a Be–7.7 at.% Ti composition. Additionally, evaluation of the reactivity of

  17. Theoretical prediction and experimental confirmation of unusual ternary ordered semiconductor compounds in Sr-Pb-S system.

    Science.gov (United States)

    Hao, Shiqiang; Zhao, Li-Dong; Chen, Chang-Qiang; Dravid, Vinayak P; Kanatzidis, Mercouri G; Wolverton, Christopher M

    2014-01-29

    We examine the thermodynamics of phase separation and ordering in the ternary Ca(x)Pb(1-x)S and Sr(x)Pb(1-x)S systems by density-functional theory combined with a cluster expansion and Monte Carlo simulations. Similar to most other ternary III-V or IV-VI semiconductor alloys, we find that bulk phase separation is thermodynamically preferred for PbS-CaS. However, we predict the surprising existence of stable, ordered ternary compounds in the PbS-SrS system. These phases are previously unreported ordered rocksalt-based compounds: SrPb3S4, SrPbS2, and Sr3PbS4. The stability of these predicted ordered phases is confirmed by transmission electron microscopy observations and band gap measurements. We believe this work paves the way for a combined theory-experiment approach to decipher complex phase relations in multicomponent chalcogenide systems.

  18. Consideration of the Verleur model of far-infrared spectroscopy of ternary compounds

    International Nuclear Information System (INIS)

    Robouch, B. V.; Kisiel, A.; Sheregii, E. M.

    2001-01-01

    The clustering model proposed by Verleur and Barker [Phys. Rev. 149, 715 (1966)] to interpret far infrared data for face-centered-cubic ternary compounds is critically analyzed. It is shown that their approach, satisfactory for fitting some ternary compound spectral curves, is too restricted by its one-parameter β model to be able to describe preferences (with respect to a random distribution case) for the five tetrahedron configurations

  19. Spectral responses in near-infrared of the mixed compounds III-V ternary and quaternary, based on GaSb

    Science.gov (United States)

    Mbow, B.; Rezzoug, N.; Peremarti, C.; Mezerreg, A.; Llinares, C.

    1993-09-01

    From the simulation of the spectral response of the different photodetector devices elaborated in our laboratory (C.E.M.), we determine the influence of geometrical and physical parameters in order to achieve the best photodetector operating at the wavelength 2.55 μm. In this paper we present: Gao{0.6}In{0.4}Sbn/Ga{0.6}In{0.4}Sbp homojunctions matched on GaSbp substrate, Ga{0.75}In{0.25}As{0.23}Sbp/GaSbn ternary heterojunction and GaSbp/Ga{0.74}In{0.26}As{0.23}Sb0.77p/GaSbn quaternary heterojunction. The GaSbp layer with an energy band gap greater than Ga{0.74}In{0.26}As{0.23}Sb0.77p optical gap will act as a window, reducing the effect of surface recombinaison. Results of the simulation are compared to experimental curves to determine the values of photoelectrical parameters (diffusion length, recombination velocity at the surface ...). Les mesures de réponse spectrale dans la gamme [0,4 eV à 2 eV] ont été effectuées sur des homojonctions, Ga{0,6}In{0,4}Sbn/Ga{0,6}In{0,4}Sbp déposées sur un substrat de GaSb et des hétérostructures ternaires Ga{0,75}In{0,25}Sbp/GaSbn et quaternaires GaSbp/Ga{0,74}In{0,26}As{0,23}Sb0,77p/GaSbn. La couche de GaSbp avec un gap plus grand que celui de Ga{0,74}In{0,26}As{0,23}Sb0,77p joue le rôle d'effet fenêtre. En s'appuyant sur les résultats de la simulation et en accordant les spectres expérimentaux aux spectres théoriques, on détermine les valeurs des paramètres photoélectriques (longueurs de diffusion, les vitesses de recombinaison en surface ... ) intervenant dans le rendement quantique.

  20. A new method to estimate the atomic volume of ternary intermetallic compounds

    International Nuclear Information System (INIS)

    Pani, M.; Merlo, F.

    2011-01-01

    The atomic volume of an A x B y C z ternary intermetallic compound can be calculated starting from volumes of some proper A-B, A-C and B-C binary phases. The three methods by Colinet, Muggianu and Kohler, originally used to estimate thermodynamic quantities, and a new method here proposed, were tested to derive volume data in eight systems containing 91 ternary phases with the known structure. The comparison between experimental and calculated volume values shows the best agreement both for the Kohler method and for the new proposed procedure. -- Graphical abstract: Synopsys: the volume of a ternary intermetallic compound can be calculated starting from volumes of some binary phases, selected by the methods of Colinet, Muggianu, Kohler and a new method proposed here. The so obtained values are compared with the experimental ones for eight ternary systems. Display Omitted Research highlights: → The application of some thermodinamic methods to a crystallochemical problem. → The prevision of the average atomic volume of ternary intermetallic phases. → The proposal of a new procedure to select the proper starting set of binary phases.

  1. Indacenodithienothiophene-Based Ternary Organic Solar Cells

    International Nuclear Information System (INIS)

    Gasparini, Nicola; García-Rodríguez, Amaranda; Prosa, Mario; Bayseç, Şebnem; Palma-Cando, Alex; Katsouras, Athanasios; Avgeropoulos, Apostolos; Pagona, Georgia; Gregoriou, Vasilis G.; Chochos, Christos L.; Allard, Sybille; Scherf, Ulrich; Brabec, Christoph J.; Ameri, Tayebeh

    2017-01-01

    One of the key aspects to achieve high efficiency in ternary bulk-hetorojunction solar cells is the physical and chemical compatibility between the donor materials. Here, we report the synthesis of a novel conjugated polymer (P1) containing alternating pyridyl[2,1,3]thiadiazole between two different donor fragments, dithienosilole and indacenodithienothiophene (IDTT), used as a sensitizer in a host system of indacenodithieno[3,2-b]thiophene,2,3-bis(3-(octyloxy)phenyl)quinoxaline (PIDTTQ) and [6,6]-phenyl C 70 butyric acid methyl ester (PC 71 BM). We found that the use of the same IDTT unit in the host and guest materials does not lead to significant changes in the morphology of the ternary blend compared to the host binary. With the complementary use of optoelectronic characterizations, we found that the ternary cells suffer from a lower mobility-lifetime (μτ) product, adversely impacting the fill factor. However, the significant light harvesting in the near infrared region improvement, compensating the transport losses, results in an overall power conversion efficiency enhancement of ~7% for ternary blends as compared to the PIDTTQ:PC 71 BM devices.

  2. Potential ternary compounds for first wall fusion applications

    International Nuclear Information System (INIS)

    O'Connor, D.J.; Kisi, E.; Riley, D.; Healy, M.

    2005-01-01

    The demands placed on a first wall in a fusion facility are both numerous and demanding. In most cases up till now, the materials considered have largely been elemental or two component alloys but so far none have met the demanding benchmarks for a practical solution for long term applications. A family of compounds, call MAX Phases, cover a broad range of elements and have very promising synthesis properties as well as physical properties which indicate that they are well placed to be considered as potential candidates. There are over 600 compounds in this family though only 50 known have been synthesised so far, so it is not yet possible to claim a thorough study has been undertaken of this class of material. An examination of the properties of just one compound, Ti 3 SiC 2 , shows the potential for this class of materials. Consideration of Ti 3 SiC 2 is based on the earlier work on TiC and SiC as potential first wall materials. As a three element material Ti 3 SiC 2 is essentially a machineable ceramic with exceptional properties and is suited to both mechanical and electrical applications. Ti 3 SiC 2 has the high temperature and chemical resistance of a ceramic combined with a degree of ductility and a higher electrical conductivity than pure Ti. Furthermore, the material has far higher thermal conductivity than commercial stainless steel or Ti alloys, and although it has a high fracture toughness at high temperatures, it can be machined using conventional hardened steel tools. It exhibits excellent damage tolerance and good thermal shock resistance. Ti 3 SiC 2 has the advantage that there are a number of synthesis processes established which provide the opportunity to tailor the synthesis to meet specialist needs. One form of manufacture, called Self-Propagation High-Temperature Synthesis (SHS) promises to both form large quantities relatively inexpensively but also, through the high temperatures generated, will facilitate bonding to a variety of surfaces

  3. New ternary intermetallics, based magnesium, for hydrogen storage

    International Nuclear Information System (INIS)

    Roquefere, J.G.

    2009-05-01

    The use of fossil fuels (non-renewable energy) is responsible for increasing the concentration of greenhouse gases in the atmosphere. Among the considered alternatives, hydrogen is seen as the most attractive energy vector. The storage in intermetallics makes it possible to obtain mass and volume capacities (e.g. 140 g/L) higher than those obtained by liquid form or under pressure (respectively 71 and 40 g/L). We have synthesised Mg and Rare Earth based compounds (RE = Y, Ce and Gd), derived from the cubic Laves phases AB2. Their physical and chemical properties have been studied (hydrogenation, electrochemistry, magnetism,...). The conditions of sorption (P and T) are particularly favorable (i.e. absorption at room temperature and atmospheric pressure). Besides, to improve the sorption kinetics of metallic magnesium, the compounds developed previously were used as catalysts. Thus, GdMgNi4 was milled with magnesium and the speeds of absorption and desorption of the mixture are found higher than those obtained for the composites Mg+Ni or Mg+V, which are reference systems. A theoretical approach (DFT) was used to model the electronic structure of the ternary compounds (i.e. REMgNi4) and thus to predict or confirm the experimental results. (authors)

  4. Boron-Based Hydrogen Storage: Ternary Borides and Beyond

    Energy Technology Data Exchange (ETDEWEB)

    Vajo, John J. [HRL Laboratories, LLC, Malibu, CA (United States)

    2016-04-28

    DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ≥11 wt% and ≥80 g/L that can deliver hydrogen and be recharged at moderate temperatures (≤100 °C) and pressures (≤100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron-based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slow rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement.

  5. Structure and properties of intermetallic ternary rare earth compounds

    Energy Technology Data Exchange (ETDEWEB)

    Casper, Frederick

    2008-12-17

    The so called material science is an always growing field in modern research. For the development of new materials not only the experimental characterization but also theoretical calculation of the electronic structure plays an important role. A class of compounds that has attracted a great deal of attention in recent years is known as REME compounds. These compounds are often referred to with RE designating rare earth, actinide or an element from group 1-4, M representing a late transition metal from groups 8-12, and E belonging to groups 13-15. There are more than 2000 compounds with 1:1:1 stoichiometry belonging to this class of compounds and they offer a broad variety of different structure types. Although many REME compounds are know to exist, mainly only structure and magnetism has been determined for these compounds. In particular, in the field of electronic and transport properties relatively few efforts have been made. The main focus in this study is on compounds crystallizing in MgAgAs and LiGaGe structure. Both structures can only be found among 18 valence electron compounds. The f electrons are localized and therefor not count as valence electrons. A special focus here was also on the magnetoresistance effects and spintronic properties found among the REME compounds. An examination of the following compounds was made: GdAuE (E=In,Cd,Mg), GdPdSb, GdNiSb, REAuSn (RE=Gd,Er,Tm) and RENiBi (RE=Pr,Sm,Gd-Tm,Lu). The experimental results were compared with theoretic band structure calculations. The first half metallic ferromagnet with LiGaGe structure (GdPdSb) was found. All semiconducting REME compounds with MgAgAs structure show giant magnetoresistance (GMR) at low temperatures. The GMR is related to a metal-insulator transition, and the value of the GMR depends on the value of the spin-orbit coupling. Inhomogeneous DyNiBi samples show a small positive MR at low temperature that depends on the amount of metallic impurities. At higher fields the samples show a

  6. Ternary superconductors

    International Nuclear Information System (INIS)

    Giorgi, A.L.

    1987-01-01

    Ternary superconductors constitute a class of superconducting compounds with exceptional properties such as high transition temperatures (≅ 15.2 K), extremely high critical fields (H c2 >60 Tesla), and the coexistence of superconductivity and long-range magnetic order. This has generated great interest in the scientific community and resulted in a large number of experimental and theoretical investigations in which many new ternary compounds have been discovered. A review of some of the properties of these ternary compounds is presented with particular emphasis on the ternary molybdenum chalcogenides and the ternary rare earth transition metal tetraborides. The effect of partial substitution of a second metal atom to form pseudoternary compounds is examined as well as some of the proposed correlations between the superconducting transition temperature and the structural and electronic properties of the ternary superconductors

  7. Nanoscratching of nylon 66-based ternary nanocomposites

    International Nuclear Information System (INIS)

    Dasari, Aravind; Yu Zhongzhen; Mai Yiuwing

    2007-01-01

    The nanoscratch behavior of nylon 66/SEBS-g-MA/clay ternary nanocomposites produced by different blending protocols with contrasting microstructures is studied by using atomic force and transmission electron microscopy. A standard diamond Berkovich indenter is used for scratching and a low load of 1 mN, along with a low sliding velocity of 1 μm s -1 , are employed for this purpose. It is shown that in order to resist penetration it is more important to have exfoliated clay in the continuous nylon matrix during nanoscratching than to have the clay in the dispersed soft rubber domains. The results obtained also explain the preferred usage of ternary nanocomposites compared to binary nanocomposites, particularly nylon 66/exfoliated clay nanocomposites. This research extends current basic knowledge and provides new insights on the nature of nanoscale processes that occur during nanoscratching of polymer nanocomposites. Critical questions are raised on the relationships between the penetration depth and material deformation and damage left behind the moving indenter

  8. Crystal growth of ZnSe and related ternary compound semiconductors by physical vapor transport

    Science.gov (United States)

    Su, Ching-Hua

    1993-01-01

    The materials to be investigated are ZnSe and related ternary semiconducting alloys (e.g., ZnS(x)Se(1-x), ZnTe(x)Se(1-x), and Zn(1-x)Cd(x)Se). These materials are useful for opto-electronic applications such as high efficient light emitting diodes and low power threshold and high temperature lasers in the blue-green region of the visible spectrum. The recent demonstration of its optical bistable properties also makes ZnSe a possible candidate material for digital optical computers. The investigation consists of an extensive ground-based study followed by flight experimentation, and involves both experimental and theoretical work. The objectives of the ground-based work are to establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low gravity environment and to obtain the experimental data and perform the analyses required to define the optimum parameters for the flight experiments. During the six months of the Preliminary Definition Phase, the research efforts were concentrated on the binary compound ZnSe - the purification of starting materials of Se by zone refining, the synthesis of ZnSe starting materials, the heat treatments of the starting materials, the vapor transport rate measurements, the vapor partial pressure measurements of ZnSe, the crystal growth of ZnSe by physical vapor transport, and various characterization on the grown ZnSe crystals.

  9. A facile room temperature route to ternary Cu{sub 7.2}S{sub 2}Se{sub 2} compounds and their photovoltaic properties based on elemental copper

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Jiamei [Department of Chemistry, Zhengzhou University, Henan 450001 (China); Key Laboratory of Micro-Nano Materials for Energy Storage and Conversion of Henan Province, Institute of Surface Micro and Nano Materials, Xuchang University, Henan 461000 (China); Jia, Huimin, E-mail: zhengzhi99999@gmail.com [Key Laboratory of Micro-Nano Materials for Energy Storage and Conversion of Henan Province, Institute of Surface Micro and Nano Materials, Xuchang University, Henan 461000 (China); Lei, Yan [Key Laboratory of Micro-Nano Materials for Energy Storage and Conversion of Henan Province, Institute of Surface Micro and Nano Materials, Xuchang University, Henan 461000 (China); Liu, Songzi [Department of Chemistry, Zhengzhou University, Henan 450001 (China); Key Laboratory of Micro-Nano Materials for Energy Storage and Conversion of Henan Province, Institute of Surface Micro and Nano Materials, Xuchang University, Henan 461000 (China); Gao, Yuanhao [Key Laboratory of Micro-Nano Materials for Energy Storage and Conversion of Henan Province, Institute of Surface Micro and Nano Materials, Xuchang University, Henan 461000 (China); Hou, Hongwei [Department of Chemistry, Zhengzhou University, Henan 450001 (China); Zheng, Zhi, E-mail: zzheng@xcu.edu.cn [Key Laboratory of Micro-Nano Materials for Energy Storage and Conversion of Henan Province, Institute of Surface Micro and Nano Materials, Xuchang University, Henan 461000 (China)

    2017-06-01

    A one-pot synthesis of novel hierarchical flower-like Cu{sub 7.2}S{sub 2}Se{sub 2} nanocrystals was developed based on the direct metal surface elemental reaction (DMSER) method. This new room temperature synthesis is an economic and environmentally friendly soft chemical approach. The prepared Cu{sub 7.2}S{sub 2}Se{sub 2} nanocrystals uniformly cover the surface of the Cu substrates. The mechanism of formation was investigated by observing the materials produced from changing the reaction time, the molar ratio of Na{sub 2}S to elemental selenium, and the volume of solvent. The crystal structure, surface morphologies and light absorption properties were collected by X-ray diffraction (XRD), field emission scanning electron microscopy (SEM), transmission electron microscopy (TEM), and UV–visible spectroscopy. The results show that the as-prepared ternary nanocrystals are face-centered cubic and have an optical bandgap of 1.58 eV, which is ideal for potential solar cell applications. Transient photovoltage spectroscopy (TPV) was used to evaluate the photovoltaic performance of pure Cu{sub 7.2}S{sub 2}Se{sub 2} nanocrystalline powder as well as in-situ generated Cu{sub 7.2}S{sub 2}Se{sub 2}/ZnO heterojunctions. The current work offers a novel and simple approach for preparing ternary chalcogenide semiconductors for photoelectric and photocatalytic applications. - Highlights: • A one-pot synthesis of novel hierarchical flower-like Cu{sub 7.2}S{sub 2}Se{sub 2} was developed. • This work offers a facile way for prepare ternary chalcogenide at room temperature. • TPV was firstly used to evaluate the photovoltaic performance of Cu{sub 7.2}S{sub 2}Se{sub 2}.

  10. Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport in Low Gravity

    Science.gov (United States)

    Su, Ching-Hua; Ramachandran, N.

    2013-01-01

    Crystals of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, will be grown by physical vapor transport in the Material Science Research Rack (MSRR) on International Space Station (ISS). The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

  11. Evaluation of ΔGsub(f) values for unstable compounds: a Fortran program for the calculation of ternary phase equilibria

    International Nuclear Information System (INIS)

    Throop, G.J.; Rogl, P.; Rudy, E.

    1978-01-01

    A Fortran IV program was set up for the calculation of phase equilibria and tieline distributions in ternary systems of the type: transition metal-transition metal-nonmetal (interstitial type of solid solutions). The method offers the possibility of determining the thermodynamic values for unstable compounds through their influence upon ternary phase equilibria. The variation of the free enthalpy of formation of ternary solid solutions is calculated as a function of nonmetal content, thus describing the actual curvature of the phase boundaries. The integral and partial molar free enthalpies of formation of binary nonstoichiometric compounds and of phase solutions are expressed as analytical functions of the nonmetal content within their homogeneity range. The coefficient of these analytical expressions are obtained by the use either of the Wagner-Schottky vacancy model or polynomials second order in composition (parabolic approach). The free energy of formation, ΔGsub(f) has been calculated for the systems Ti-C, Zr-C, and Ta-C. Calculations of the ternary phase equilibria yielded the values for ΔGsub(f) for the unstable compounds Ti 2 C at 1500 0 C and Zr 2 C at 1775 0 C of -22.3 and 22.7 kcal g atom metal respectively. These values were used for the calculation of isothermal sections within the ternary systems Ti-Ta-C (at 1500 0 C) and Zr-Ta-C (at 1775 0 C). The ideal case of ternary phase solutions is extended to regular solutions. (author)

  12. Dynamical theory of subconstituents based on ternary algebras

    International Nuclear Information System (INIS)

    Bars, I.; Guenaydin, M.

    1980-01-01

    We propose a dynamical theory of possible fundamental constituents of matter. Our scheme is based on (super) ternary algebras which are building blocks of Lie (super) algebras. Elementary fields, called ''ternons,'' are associated with the elements of a (super) ternary algebra. Effective gauge bosons, ''quarks,'' and ''leptons'' are constructed as composite fields from ternons. We propose two- and four-dimensional (super) ternon theories whose structures are closely related to CP/sub N/ and Yang-Mills theories and their supersymmetric extensions. We conjecture that at large distances (low energies) the ternon theories dynamically produce effective gauge theories and thus may be capable of explaining the present particle-physics phenomenology. Such a scenario is valid in two dimensions

  13. First-principles study of ternary Li-Al-Te compounds under high pressure

    Science.gov (United States)

    Wang, Youchun; Tian, Fubo; Li, Da; Duan, Defang; Xie, Hui; Liu, Bingbing; Zhou, Qiang; Cui, Tian

    2018-02-01

    The ternary Li-Al-Te compounds were investigated by the first-principle evolutionary calculation based on density function theory. Apart from the known structure, I-42d LiAlTe2 and P3m1 LiAlTe2, several new structures were discovered, P-3m1 LiAlTe2, Pnma LiAlTe2, C2/c Li9AlTe2, Immm Li9AlTe2 and P4/mmm Li6AlTe. We determined that the I-42d LiAlTe2 firstly changed to P-3m1 phase at 6 GPa, and then into the Pnma structure at 65 GPa, Pnma phase was stable up at least to 120 GPa. I-42d LiAlTe2 was a pseudo-direct band gap semiconductor, but P-3m1 LiAlT2 was an indirect band gap semiconductor. This may be caused by the pressure effect. Subsequently, it was metallized under pressure. Pnma LiAlTe2 was also metallic at the pressure we studied. C2/c Li9AlTe2 was stable above 4 GPa, then turned into Immm phase at 60 GPa. C2/c Li9AlTe2 was an indirect band gap semiconductor. The results show that P4/mmm Li6AlTe was stable and metallized in the pressure range of 0.7-120 GPa. The calculations of DOS and PDOS indicate that the arrangement of electrons near Fermi energy can be affected by the increase of Li. The calculated ELF results and Bader charge analysis indicate that there was no covalent bond between Al and Te atoms for high-pressure Pnma LiAlTe2, Li9AlTe2 and Li6AlTe. For Li9AlTe2 and Li6AlTe, different from LiAlTe2, Al atoms not connect with Te atoms, but link with Li atoms. The results were further proved by Mulliken population analysis. And the weak covalent bonds between Li and Al atoms stem from the hybridization of Li s and Al p presented in PDOS diagrams. We further deduced that the pressure effect and the increase of Li content may result in the disappearance of Al-Te bonds for Li-Al-Te compound under extreme pressure.

  14. Regularity in the formation of compounds in ternary R-Me-Sn systems, R - REM, Me - Fe, Co, Ni, Cu

    International Nuclear Information System (INIS)

    Skolozdra, R.V.; Komarovskaya, L.P.; Koretskaya, O.Eh.

    1992-01-01

    For the ternary alloy systems of (La, Y, Gd, Lu)-Fe-Sn, (Ce, Y, Gd)-Co-Sn, (Ce, Y, Gd, Lu)-Ni-Sn and (Pr, Gd, Lu)-Cu-Sn isothermal sections of phase diagrams were plotted within the range of 670 to 870 K. It was revealed that substitution of transition metal in the kFe-Co-Ni-Cu series led to changes both in a number of ternary stannides and their structural types. A tendency was observed in change of stannide numbers depending on quantity ratio of R and Me components. Crystallochemical analysis of compounds obtained showed that they could be treated as interstitial structures or lsuperstructures with respect to them. The results of magnetic properties measurements were used for explanation of structural features of ternary compounds considered

  15. Preparation and characterization of CBN ternary compounds with nano-structure

    International Nuclear Information System (INIS)

    Xiong, Y.H.; Yang, S.; Xiong, C.S.; Pi, H.L.; Zhang, J.; Ren, Z.M.; Mai, Y.T.; Xu, W.; Dai, G.H.; Song, S.J.; Xiong, J.; Zhang, L.; Xia, Z.C.; Yuan, S.L.

    2006-01-01

    CBN ternary compounds with nano-structure have been prepared directly by a mechanical alloying technique at room temperature. The characteristic and formation mechanism of CBN are discussed. The nano-sheets and nano-layered rods of CBN are observed according to the morphology of scanning electron microscopy. It is substantiated that the microstructure of CBN was closely related to the ball milling time and the ball milling condition according to the results of X-ray diffraction of CBN with different ball milling time. After ball milling for 60 and 90 h, some new diffraction peaks are observed, which implies that some unknown microstructure and phase separation are induced in the reactive ball milling of CBN. The results of XRD are in accordance with that of X-ray photoelectron spectroscopy of CBN before ball milling and after ball milling for 90 h

  16. Hardware emulation of Memristor based Ternary Content Addressable Memory

    KAUST Repository

    Bahloul, Mohamed A.

    2017-12-13

    MTCAM (Memristor Ternary Content Addressable Memory) is a special purpose storage medium in which data could be retrieved based on the stored content. Using Memristors as the main storage element provides the potential of achieving higher density and more efficient solutions than conventional methods. A key missing item in the validation of such approaches is the wide spread availability of hardware emulation platforms that can provide reliable and repeatable performance statistics. In this paper, we present a hardware MTCAM emulation based on 2-Transistors-2Memristors (2T2M) bit-cell. It builds on a bipolar memristor model with storing and fetching capabilities based on the actual current-voltage behaviour. The proposed design offers a flexible verification environment with quick design revisions, high execution speeds and powerful debugging techniques. The proposed design is modeled using VHDL and prototyped on Xilinx Virtex® FPGA.

  17. Mechanical properties of some binary, ternary and quaternary III-V compound semiconductor alloys

    International Nuclear Information System (INIS)

    Navamathavan, R.; Arivuoli, D.; Attolini, G.; Pelosi, C.; Choi, Chi Kyu

    2007-01-01

    Vicker's microindentation tests have been carried out on InP/InP, GaAs/InP, InGaAs/InP and InGaAsP/InP III-V compound semiconductor alloys. The detailed mechanical properties of these binary, ternary and quaternary epilayers were determined from the indentation experiments. Microindentation studies of (1 1 1) GaAs/InP both A and B faces show that the hardness value increases with load and attains a constant for further increase in load and the microhardness values were found to lie between 3.5 and 4.0 GPa. The microhardness values of InGaAs/InP epilayers with different thickness were found to lie between 3.93 and 4.312 GPa. The microhardness values of InGaAsP/InP with different elemental composition were found to lie between 5.08 and 5.73 GPa. The results show that the hardness of the quaternary alloy drastically increases, the reason may be that the increase in As concentration hardens the lattice when phosphorous concentration is less and hardness decreases when phosphorous is increased. It was interestingly observed that the hardness value increases as we proceed from binary to quaternary III-V compound semiconductor alloys

  18. Ternary gypsum-based materials: Composition, properties and utilization

    Science.gov (United States)

    Doleželová, M.; Svora, P.; Vimmrová, A.

    2017-10-01

    In spite of the fact that gypsum is one of the most environmentally friendly binders, utilization of gypsum products is relatively narrow. The main problem of gypsum materials is their low resistance to the wet environment and radical decrease of mechanical properties with increasing moisture. The solution of the problem could be in use of composed gypsum-based binders, usually ternary, comprising gypsum, pozzolan and alkali activator of pozzolan reaction. These materials have a better moisture resistance and often also better mechanical properties. Paper provides literature survey of the possible compositions, properties and ways of utilization of the composed gypsum-based binders with latent hydraulic and pozzolan materials together with some results of present research performed by authors.

  19. The ternary system Na{sub 2}O-ZnO-WO{sub 3}: Compounds and phase relationships

    Energy Technology Data Exchange (ETDEWEB)

    Yan Fengbo; Chen Dagui; Li Wei; Lin Zhang; Zhao Zhenguo; Xue Liping [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Huang Feng [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China)], E-mail: fhuang@fjirsm.ac.cn; Liang Jingkui [State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); Beijing National Laboratory for Condensed Matter Physics, Institute of Physics and Center for Condensed Matter Physics, Chinese Academy of Sciences, Beijing 100080 (China); International Centre for Materials Physics, Chinese Academia Sinica, Shenyang 110016 (China)], E-mail: jkliang@aphy.iphy.ac.cn

    2008-06-30

    The subsolidus phase relationships of ternary system Na{sub 2}O-ZnO-WO{sub 3} have been investigated by X-ray diffraction (XRD) and differential thermal analyzer (DTA). All the samples were synthesized in the temperature range from 530 to 850 deg. C in air. There are one ternary compound and five binary compounds in the Na{sub 2}O-ZnO-WO{sub 3} system, which can be divided into eight three-phase regions. The crystal structure of the ternary compound Na{sub 3.6}Zn{sub 1.2}(WO{sub 4}){sub 3} is determined by single-crystal structure analysis method. It belongs to triclinic system with space group P1-bar and lattice constants a = 7.237 (5) A, b = 9.172 (6) A, c = 9.339 (6) A and {alpha} = 94.920 (4){sup o}, {beta} = 105.772 (9){sup o}, {gamma} = 103.531 (8){sup o}, Z = 2. DTA analyses indicate that the compound Na{sub 2}WO{sub 4} is not suitable to be the flux for ZnO crystal growth below 1250 deg. C, since no liquidus was observed in the system before 1250 deg. C.

  20. (Liquid + liquid) equilibrium for ternary mixtures of {heptane + aromatic compounds + [EMpy][ESO4]} at T = 298.15 K

    International Nuclear Information System (INIS)

    Mirkhani, S.A.; Vossoughi, M.; Pazuki, G.R.; Safekordi, A.A.; Heydari, A.; Akbari, J.; Yavari, M.

    2011-01-01

    Highlights: → This paper reports the LLE data of ternary systems {heptane (1) + aromatic compounds (2) + [EMpy][ESO 4 ] (3)}. → The distribution coefficient and the selectivity were obtained from the experimental data. → The consistency of LLE data was successfully correlated with Othmer-Tobias and Hand equation. - Abstract: (Liquid + liquid) equilibrium (LLE) data for the ternary systems (heptane + toluene + 1-ethyl-3-methylpyridinium ethylsulfate) and (heptane + benzene + 1-ethyl-3-methylpyridinium ethylsulfate) were measured at T = 298.15 K and atmospheric pressure. The selectivity and aromatic distribution coefficients, calculated from the equilibrium data, were used to determine if this ionic liquid can be used as a potential extracting solvent for the separation of aromatic compounds from heptane. The consistency of tie-line data was ascertained by applying the Othmer-Tobias and Hand equations.

  1. Strain/size analysis in ternary compounds AgIn5 VI8 (Vi = S, Se, Te) by X-ray diffraction

    International Nuclear Information System (INIS)

    Fermin, J. R.; Salcedo, D. Y.; Durante R, C.; Castro, J. A.

    2017-01-01

    In this work, we have study the microstructural properties of the ternary compounds AgIn 5 VI 8 (Vi = S, Se, Te) by X-ray diffraction technique (XRD). The linewidth of the XRD profile is measured as function of the diffraction angle. Structural parameters such as, average grain size, micro strains, and crystalline dislocation density, are obtained on the framework of a strain/size analysis based on the modified Scherrer equation for Gaussian profiles. The crystalline dislocation arrange according to a Gaussian distribution function, indicating that these dislocations are randomly distributed within the grains. (Author)

  2. Staging properties of potassium-ammonia ternary graphite intercalation compounds at high ammonia pressure

    Science.gov (United States)

    Qian, X. W.; Solin, S. A.

    1989-04-01

    The pressure dependence of the (00l) x-ray diffraction patterns of the ternary graphite intercalation compound K(NH3)xC24 has been studied in the range 0.5-11 kbar (for which x~4.5) using a diamond anvil cell. A special apparatus for loading the cell with liquid ammonia at room temperature has been constructed and is briefly described. In these experiments, the pressure-transmitting fluid was also an intercalant, namely ammonia. Therefore, the chemical potential of this species was linearly coupled to the applied pressure in contrast to the usual case where the pressure-transmitting fluid is chemically passive. The pressure dependences of the basal spacings and of the relative intensities of key reflections have been measured, as have the compressibilities of the stage-1 and stage-2 components of the two-phase system. Basal-spacing anomalies and anomalies in the relative intensities occur at pressures of ~3.5 and 8.0 kbar and are tentatively attributed to in-plane coordination changes in the potassium-ammonia ratio. Using thermodynamic arguments and Le Chatelier's principle we show quantitatively that a staging phase transition from pure stage-1 phase to an admixture of stage-1 and stage-2 is expected with increased pressure above 10 bar in agreement with experiment. The saturation ammonia compositions (x values) of the admixed stages are found to be 4.5 and 5.4 for the stage-1 and -2 components, respectively. This result is interpreted as evidence that the composition is not sterically limited but is determined by the binding energy of ammonia for potassium and by the perturbation to this energy from the guest-host interaction.

  3. Thermochemical stability of Li-Cu-O ternary compounds stable at room temperature analyzed by experimental and theoretical methods

    Energy Technology Data Exchange (ETDEWEB)

    Lepple, Maren [Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen (Germany). Inst. for Applied Materials - Applied Materials Physics; Technische Univ. Darmstadt (Germany). Eduard-Zintl-Inst. of Inorganic and Physical Chemistry; Rohrer, Jochen; Albe, Karsten [Technische Univ. Darmstadt (Germany). Fachgebiet Materialmodellierung; Adam, Robert; Rafaja, David [Technical Univ. Freiberg (Germany). Inst. of Materials Science; Cupid, Damian M. [Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen (Germany). Inst. for Applied Materials - Applied Materials Physics; Austrian Institute of Technology GmbH, Vienna (Austria). Center for Low-Emission Transport TECHbase; Seifert, Hans J. [Karlsruhe Institute of Technology, Eggenstein-Leopoldshafen (Germany). Inst. for Applied Materials - Applied Materials Physics

    2017-11-15

    Compounds in the Li-Cu-O system are of technological interest due to their electrochemical properties which make them attractive as electrode materials, i.e., in future lithium ion batteries. In order to select promising compositions for such applications reliable thermochemical data are a prerequisite. Although various groups have investigated individual ternary phases using different experimental setups, up to now, no systematic study of all relevant phases is available in the literature. In this study, we combine drop solution calorimetry with density function theory calculations to systematically investigate the thermodynamic properties of ternary Li-Cu-O phases. In particular, we present a consistently determined set of enthalpies of formation, Gibbs energies and heat capacities for LiCuO, Li{sub 2}CuO{sub 2} and LiCu{sub 2}O{sub 2} and compare our results with existing literature.

  4. Discovery of the Ternary Nanolaminated Compound Nb2GeC by a Systematic Theoretical-Experimental Approach

    Science.gov (United States)

    Eklund, Per; Dahlqvist, Martin; Tengstrand, Olof; Hultman, Lars; Lu, Jun; Nedfors, Nils; Jansson, Ulf; Rosén, Johanna

    2012-07-01

    Since the advent of theoretical materials science some 60 years ago, there has been a drive to predict and design new materials in silicio. Mathematical optimization procedures to determine phase stability can be generally applicable to complex ternary or higher-order materials systems where the phase diagrams of the binary constituents are sufficiently known. Here, we employ a simplex-optimization procedure to predict new compounds in the ternary Nb-Ge-C system. Our theoretical results show that the hypothetical Nb2GeC is stable, and excludes all reasonably conceivable competing hypothetical phases. We verify the existence of the Nb2GeC phase by thin film synthesis using magnetron sputtering. This hexagonal nanolaminated phase has a and c lattice parameters of ˜3.24Å and 12.82 Å.

  5. Investigating the discrimination potential of linear and nonlinear spectral multivariate calibrations for analysis of phenolic compounds in their binary and ternary mixtures and calculation pKa values

    Science.gov (United States)

    Rasouli, Zolaikha; Ghavami, Raouf

    2016-08-01

    Vanillin (VA), vanillic acid (VAI) and syringaldehyde (SIA) are important food additives as flavor enhancers. The current study for the first time is devote to the application of partial least square (PLS-1), partial robust M-regression (PRM) and feed forward neural networks (FFNNs) as linear and nonlinear chemometric methods for the simultaneous detection of binary and ternary mixtures of VA, VAI and SIA using data extracted directly from UV-spectra with overlapped peaks of individual analytes. Under the optimum experimental conditions, for each compound a linear calibration was obtained in the concentration range of 0.61-20.99 [LOD = 0.12], 0.67-23.19 [LOD = 0.13] and 0.73-25.12 [LOD = 0.15] μg mL- 1 for VA, VAI and SIA, respectively. Four calibration sets of standard samples were designed by combination of a full and fractional factorial designs with the use of the seven and three levels for each factor for binary and ternary mixtures, respectively. The results of this study reveal that both the methods of PLS-1 and PRM are similar in terms of predict ability each binary mixtures. The resolution of ternary mixture has been accomplished by FFNNs. Multivariate curve resolution-alternating least squares (MCR-ALS) was applied for the description of spectra from the acid-base titration systems each individual compound, i.e. the resolution of the complex overlapping spectra as well as to interpret the extracted spectral and concentration profiles of any pure chemical species identified. Evolving factor analysis (EFA) and singular value decomposition (SVD) were used to distinguish the number of chemical species. Subsequently, their corresponding dissociation constants were derived. Finally, FFNNs has been used to detection active compounds in real and spiked water samples.

  6. On the ternary compounds of the BaO-CaO-CuO system

    Science.gov (United States)

    Nguyen Xuan, H.; Bertrand, C.; Beauquis, S.; Pisch, A.; Galez, Ph.

    2004-12-01

    The crystal structure and the stability of the two ternary compounds Ba4CaCu3O8+δ and Ba6CaCu3O10+vardelta have been investigated by means of X-ray diffraction, differential thermal analysis and thermogravimetry analysis. We find that the Ba4CaCu3O8+vardelta phase has a cubic structure (Im-3m, a = 8.1515(1) Å for δ = + 0.8) for an oxygen content in the range 8.7-9.3 as reported in the literature but undergoes a transformation into a tetragonal structure (I4/mmm, a = 8.1888(1) Å, c = 8.0634(1) Å for δ = - 0.3) when the oxygen content is lowered (7.7-8.7). Both Ba4CaCu3O8+δ and Ba6CaCu3O10+vardelta phases are metastable at low temperature in p(O2) = 1 bar. The DTA/TGA curves indicate an equilibrium recovery between 300°C and 400°C corresponding to the decomposition into BaO2, CaO and Ba2Cu3O6. La structure cristallographique et la stabilité des deux composés ternaires Ba4CaCu3O8+vardelta et Ba6CaCu3O10+vardelta ont été étudiées par diffraction des rayons X, analyse thermique différentielle et analyse thermogravimétrique. Nous trouvons que la phase Ba4CaCu3O8+vardelta a une structure cubique (Im-3m, a = 8.1515(1) Å, δ = + 0.8) pour des contenus en oxygène élevés (8.7-9.3) comme cela est reporté dans la littérature mais subit une transition vers une structure tétragonale (I4/mmm, a = 8.1888(1) Å, c = 8.0634(1) Å, δ = - 0.3) lorsque ce contenu est diminué (7.7-8.7). Ces deux composés ternaires sont métastables à basse température sous p(O2) = 1 bar. Les courbes d'ATD/TG indiquent en effet un retour à l'équilibre entre 300°C et 400°C qui correspond à une décomposition en BaO2, CaO et Ba2Cu3O6.

  7. An evaporation-based model of thermal neutron induced ternary fission of plutonium

    International Nuclear Information System (INIS)

    Lestone, J.P.

    2008-01-01

    Ternary fission probabilities for thermal neutron induced fission of plutonium are analyzed within the framework of an evaporation-based model where the complexity of time-varying potentials, associated with the neck collapse, are included in a simplistic fashion. If the nuclear temperature at scission and the fission-neck-collapse time are assumed to be ~ 1.2 MeV and ~ 10 -22 s, respectively, then calculated relative probabilities of ternary-fission light-charged-particle emission follow the trends seen in the experimental data. The ability of this model to reproduce ternary fission probabilities spanning seven orders of magnitude for a wide range of light-particle charges and masses implies that ternary fission is caused by the coupling of an evaporation-like process with the rapid re-arrangement of the nuclear fluid following scission. (author)

  8. Calculation of the magnetic properties of pseudo-ternary R2M14B intermetallic compounds (R = rare earth, M = Fe, Co

    Directory of Open Access Journals (Sweden)

    Gabriel Gómez Eslava

    2016-06-01

    Full Text Available The extrinsic properties of NdFeB-based magnets can be tuned through partial substitution of Nd by another rare-earth element and Fe by Co, as such substitution leads to a modification in the intrinsic properties of the main phase. Optimisation of a magnet's composition through trial and error is time consuming and not straightforward, since the interplay existing between magnetocrystalline anisotropy and coercivity is not completely understood. In this paper we present a model to calculate the intrinsic magnetic properties of pseudo-ternary Nd2Fe14B-based compounds. As concrete examples, which are relevant for the optimisation of NdFeB-based high-performance magnets used in (hybrid electric vehicles and wind turbines, we consider partial substitution of Nd by Dy or Tb, and Fe by Co.

  9. TbNb6Sn6: the first ternary compound from the rare earth–niobium–tin system

    Directory of Open Access Journals (Sweden)

    Viktor Hlukhyy

    2010-12-01

    Full Text Available The title compound, terbium hexaniobium hexastannide, TbNb6Sn6, is the first ternary compound from the rare earth–niobium–tin system. It has the HfFe6Ge6 structure type, which can be analysed as an intergrowth of the Zr4Al3 and CaCu5 structures. All the atoms lie on special positions; their coordination geometries and site symmetries are: Tb (dodecahedron 6/mmm; Nb (distorted icosahedron 2mm; Sn (Frank–Caspar polyhedron, CN = 14–15 6mm and overline{6}m2; Sn (distorted icosahedron overline{6}m2. The structure contains a graphite-type Sn network, Kagome nets of Nb atoms, and Tb atoms alternating with Sn2 dumbbells in the channels.

  10. TbNb6Sn6: the first ternary compound from the rare earth–niobium–tin system

    Science.gov (United States)

    Oshchapovsky, Igor; Pavlyuk, Volodymyr; Fässler, Thomas F.; Hlukhyy, Viktor

    2010-01-01

    The title compound, terbium hexa­niobium hexastannide, TbNb6Sn6, is the first ternary compound from the rare earth–niobium–tin system. It has the HfFe6Ge6 structure type, which can be analysed as an inter­growth of the Zr4Al3 and CaCu5 structures. All the atoms lie on special positions; their coordination geometries and site symmetries are: Tb (dodeca­hedron) 6/mmm; Nb (distorted icosa­hedron) 2mm; Sn (Frank–Caspar polyhedron, CN = 14–15) 6mm and m2; Sn (distorted icosa­hedron) m2. The structure contains a graphite-type Sn network, Kagome nets of Nb atoms, and Tb atoms alternating with Sn2 dumbbells in the channels. PMID:21589205

  11. Ternary chalcopyrite semiconductors

    CERN Document Server

    Shay, J L; Pamplin, B R

    2013-01-01

    Ternary Chalcopyrite Semiconductors: Growth, Electronic Properties, and Applications covers the developments of work in the I-III-VI2 and II-IV-V2 ternary chalcopyrite compounds. This book is composed of eight chapters that focus on the crystal growth, characterization, and applications of these compounds to optical communications systems. After briefly dealing with the status of ternary chalcopyrite compounds, this book goes on describing the crystal growth of II-IV-V2 and I-III-VI2 single crystals. Chapters 3 and 4 examine the energy band structure of these semiconductor compounds, illustrat

  12. A New Class of Ternary Compound for Lithium-Ion Battery: from Composite to Solid Solution.

    Science.gov (United States)

    Wang, Jiali; Wu, Hailong; Cui, Yanhua; Liu, Shengzhou; Tian, Xiaoqing; Cui, Yixiu; Liu, Xiaojiang; Yang, Yin

    2018-02-14

    Searching for high-performance cathode materials is a crucial task to develop advanced lithium-ion batteries (LIBs) with high-energy densities for electrical vehicles (EVs). As a promising lithium-rich material, Li 2 MnO 3 delivers high capacity over 200 mAh g -1 but suffers from poor structural stability and electronic conductivity. Replacing Mn 4+ ions by relatively larger Sn 4+ ions is regarded as a possible strategy to improve structural stability and thus cycling performance of Li 2 MnO 3 material. However, large difference in ionic radii of Mn 4+ and Sn 4+ ions leads to phase separation of Li 2 MnO 3 and Li 2 SnO 3 during high-temperature synthesis. To prepare solid-solution phase of Li 2 MnO 3 -Li 2 SnO 3 , a buffer agent of Ru 4+ , whose ionic radius is in between that of Mn 4+ and Sn 4+ ions, is introduced to assist the formation of a single solid-solution phase. The results show that the Li 2 RuO 3 -Li 2 MnO 3 -Li 2 SnO 3 ternary system evolves from mixed composite phases into a single solid-solution phase with increasing Ru content. Meanwhile, discharge capacity of this ternary system shows significantly increase at the transformation point which is ascribed to the improvement of Li + /e - transportation kinetics and anionic redox chemistry for solid-solution phase. The role of Mn/Sn molar ratio of Li 2 RuO 3 -Li 2 MnO 3 -Li 2 SnO 3 ternary system has also been studied. It is revealed that higher Sn content benefits cycling stability of the system because Sn 4+ ions with larger sizes could partially block the migration of Mn 4+ and Ru 4+ from transition metal layer to Li layer, thus suppressing structural transformation of the system from layered-to-spinel phase. These findings may enable a new route for exploring ternary or even quaternary lithium-rich cathode materials for LIBs.

  13. Investigation of itraconazole ternary amorphous solid dispersions based on povidone and Carbopol.

    Science.gov (United States)

    Meng, Fan; Meckel, Jordan; Zhang, Feng

    2017-08-30

    We investigate a ternary system that consists of itraconazole (ITZ) and two polymers: povidone K12 and Carbopol 907. The interactions between these two polymers and their effects on the properties of ternary ITZ amorphous solid dispersions (ASDs) are studied. These two polymers can form a water-insoluble complex in acidic aqueous media. The critical pH is determined to be 4.17. The weight percentage of Carbopol 907 in the interpolymer complex range from 59 to 70%, depending on the initial ratios between these two polymers in the starting solutions. This complexation is driven by a negative enthalpy change from the H-bonding between the two polymers and a positive entropy change from the freed water molecules. Due to the slow precipitation of the interpolymer complex in aqueous media, the attempt to prepare ternary ASD using solvent-controlled coprecipitation is not successful. Melt extrusion is identified to be the only viable method to prepare this ternary ASD. We find that interpolymer complex-based ASDs are physically less stable and demonstrate the poorest drug-release properties when compared to individual polymer-based binary ASDs. This study illustrates that the too strong interaction between polymers in ternary ASDs is detrimental to their performance. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

    International Nuclear Information System (INIS)

    Tamm, Artur; Aabloo, Alvo; Klintenberg, Mattias; Stocks, Malcolm; Caro, Alfredo

    2015-01-01

    The aim of this study is to characterize some atomic-scale properties of Ni-based FCC multicomponent alloys. For this purpose, we use Monte Carlo method combined with density functional theory calculations to study short-range order (SRO), atomic displacements, electronic density of states, and magnetic moments in equimolar ternary NiCrCo, and quaternary NiCrCoFe alloys. According to our study, the salient features for the ternary alloy are a negative SRO parameter between Ni–Cr and a positive between Cr–Cr pairs as well as a weakly magnetic state. For the quaternary alloy we predict negative SRO parameter for Ni–Cr and Ni–Fe pairs and positive for Cr–Cr and Fe–Fe pairs. Atomic displacements for both ternary and quaternary alloys are negligible. In contrast to the ternary, the quaternary alloy shows a complex magnetic structure. The electronic structure of the ternary and quaternary alloys shows differences near the Fermi energy between a random solid solution and the predicted structure with SRO. Despite that, the calculated EXAFS spectra does not show enough contrast to discriminate between random and ordered structures. The predicted SRO has an impact on point-defect energetics, electron–phonon coupling and thermodynamic functions and thus, SRO should not be neglected when studying properties of these two alloys

  15. pH-specific hydrothermal assembly of binary and ternary Pb(II)-(O,N-carboxylic acid) metal organic framework compounds: correlation of aqueous solution speciation with variable dimensionality solid-state lattice architecture and spectroscopic signatures.

    Science.gov (United States)

    Gabriel, C; Perikli, M; Raptopoulou, C P; Terzis, A; Psycharis, V; Mateescu, C; Jakusch, T; Kiss, T; Bertmer, M; Salifoglou, A

    2012-09-03

    Hydrothermal pH-specific reactivity in the binary/ternary systems of Pb(II) with the carboxylic acids N-hydroxyethyl-iminodiacetic acid (Heida), 1,3-diamino-2-hydroxypropane-N,N,N',N'-tetraacetic acid (Dpot), and 1,10-phenanthroline (Phen) afforded the new well-defined crystalline compounds [Pb(Heida)](n)·nH(2)O(1), [Pb(Phen)(Heida)]·4H(2)O(2), and [Pb(3)(NO(3))(Dpot)](n)(3). All compounds were characterized by elemental analysis, FT-IR, solution or/and solid-state NMR, and single-crystal X-ray diffraction. The structures in 1-2 reveal the presence of a Pb(II) center coordinated to one Heida ligand, with 1 exhibiting a two-dimensional (2D) lattice extending to a three-dimensional (3D) one through H-bonding interactions. The concurrent aqueous speciation study of the binary Pb(II)-Heida system projects species complementing the synthetic efforts, thereby lending credence to a global structural speciation strategy in investigating binary/ternary Pb(II)-Heida/Phen systems. The involvement of Phen in 2 projects the significance of nature and reactivity potential of N-aromatic chelators, disrupting the binary lattice in 1 and influencing the nature of the ultimately arising ternary 3D lattice. 3 is a ternary coordination polymer, where Pb(II)-Dpot coordination leads to a 2D metal-organic-framework material with unique architecture. The collective physicochemical properties of 1-3 formulate the salient features of variable dimensionality metal-organic-framework lattices in binary/ternary Pb(II)-(hydroxy-carboxylate) structures, based on which new Pb(II) materials with distinct architecture and spectroscopic signature can be rationally designed and pursued synthetically.

  16. Corrosion and wear protective composition modulated alloy coatings based on ternary Ni-P-X alloys

    DEFF Research Database (Denmark)

    Leisner, P.; Benzon, M. E.; Christoffersen, Lasse

    1996-01-01

    Scattered reporting in the litterature describes a number of ternary Ni-P-X alloyes (where X can be Co, Cr, Cu, Mo, Pd, Re or W) with promising corrosin and wear protective performance. Based on a systematic study of Ni-P-X alloys it is the intention to produce coatings with improved corrosion...

  17. Sputtered tungsten-based ternary and quaternary layers for nanocrystalline diamond deposition.

    Science.gov (United States)

    Walock, Michael J; Rahil, Issam; Zou, Yujiao; Imhoff, Luc; Catledge, Shane A; Nouveau, Corinne; Stanishevsky, Andrei V

    2012-06-01

    Many of today's demanding applications require thin-film coatings with high hardness, toughness, and thermal stability. In many cases, coating thickness in the range 2-20 microm and low surface roughness are required. Diamond films meet many of the stated requirements, but their crystalline nature leads to a high surface roughness. Nanocrystalline diamond offers a smoother surface, but significant surface modification of the substrate is necessary for successful nanocrystalline diamond deposition and adhesion. A hybrid hard and tough material may be required for either the desired applications, or as a basis for nanocrystalline diamond film growth. One possibility is a composite system based on carbides or nitrides. Many binary carbides and nitrides offer one or more mentioned properties. By combining these binary compounds in a ternary or quaternary nanocrystalline system, we can tailor the material for a desired combination of properties. Here, we describe the results on the structural and mechanical properties of the coating systems composed of tungsten-chromium-carbide and/or nitride. These WC-Cr-(N) coatings are deposited using magnetron sputtering. The growth of adherent nanocrystalline diamond films by microwave plasma chemical vapor deposition has been demonstrated on these coatings. The WC-Cr-(N) and WC-Cr-(N)-NCD coatings are characterized with atomic force microscopy and SEM, X-ray diffraction, X-ray photoelectron spectroscopy, Raman spectroscopy, and nanoindentation.

  18. Microstructural characterization and phase transformation of ternary alloys near at Al3Ti compound

    International Nuclear Information System (INIS)

    Angeles Ch, C.

    1999-01-01

    This research work is related with the structural characteristic and compositional values of the crystalline phases, which are found in ternary alloys of Ti-Al-Fe and TI-Al-Cu. These types of alloys were obtained using a rapid solidification technique (10 3 -10 4 K/s) and pure elements such as Al, Ti, Fe and Cu (99.99%). These cooling velocities allow the formation of stable phases and small grain sizes (approximately in range of a few micras). The obtained results indicate the presence of Al 3 Ti and others phases of L1 2 type. These phases are commonly found in a matrix rich in A1. The microalloyed elements (Cu and Fe) substitute the aluminum in both kinds of phases. Alloys with low content of Cu show transition states from the tetragonal structure DO 22 to the cubic phases L1 2 . The structural characteristics of the alloys are related with some microhardness measurement. The results show that the presence of the L1 2 phase tends to increase to hardness depending of the content of this phase

  19. High-performance thermoelectric materials based on ternary TiO2/CNT/PANI composites.

    Science.gov (United States)

    Erden, Fuat; Li, Hui; Wang, Xizu; Wang, FuKe; He, Chaobin

    2018-04-04

    In the present work, we report the fabrication of high-performance thermoelectric materials using TiO2/CNT/PANI ternary composites. We showed that a conductivity of ∼2730 S cm-1 can be achieved for the binary CNT (70%)/PANI (30%) composite, which is the highest recorded value for the reported CNT/PANI composites. We further demonstrated that the Seebeck coefficient of CNT/PANI composites could be enhanced by incorporating TiO2 nanoparticles into the binary CNT/PANI composites, which could be attributed to lower carrier density and the energy scattering of low-energy carriers at the interfaces of TiO2/a-CNT and TiO2/PANI. The resulting TiO2/a-CNT/PANI ternary system exhibits a higher Seebeck coefficient and enhanced thermoelectric power. Further optimization of the thermoelectric power was achieved by water treatment and by tuning the processing temperature. A high thermoelectric power factor of 114.5 μW mK-2 was obtained for the ternary composite of 30% TiO2/70% (a-CNT (70%)/PANI (30%)), which is the highest reported value among the reported PANI based ternary composites. The improvement of thermoelectric performance by incorporation of TiO2 suggests a promising approach to enhance power factor of organic thermoelectric materials by judicial tuning of the carrier concentration and electrical conductivity.

  20. Structural characterization of the ternary compound Cu{sub 3}TaSe{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Delgado, Gerzon E. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela)]. E-mail: gerzon@ula.ve; Mora, Asiloe J. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Duran, Sonia [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Munoz, Marcos [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Grima-Gallardo, Pedro [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela)

    2007-07-31

    The Cu{sub 3}TaSe{sub 4} compound crystallizes in the cubic P4bar 3m (No. 215) space group, Z=1, with a=5.6600(1)A, V=181.32(1)A{sup 3}. Its structure was refined from X-ray powder diffraction data using the Rietveld method. The refinement of 21 instrumental and structural variables led to R{sub p}=12.2%, R{sub wp}=14.7%, R{sub exp}=8.0%, R{sub B}=14.5% and S=1.8, for 4501 step intensities and 33 independent reflections. This compound is isostructural with the sulvanite mineral and is characterized for a three-dimensional arrangement of CuSe{sub 4} and TaSe{sub 4} tetrahedra connected by common edges, and the CuSe{sub 4} tetrahedra sharing vertexes among them.

  1. Facial expression recognition based on improved local ternary pattern and stacked auto-encoder

    Science.gov (United States)

    Wu, Yao; Qiu, Weigen

    2017-08-01

    In order to enhance the robustness of facial expression recognition, we propose a method of facial expression recognition based on improved Local Ternary Pattern (LTP) combined with Stacked Auto-Encoder (SAE). This method uses the improved LTP extraction feature, and then uses the improved depth belief network as the detector and classifier to extract the LTP feature. The combination of LTP and improved deep belief network is realized in facial expression recognition. The recognition rate on CK+ databases has improved significantly.

  2. Nanoindentation Characterization of a Ternary Clay-Based Composite Used in Ancient Chinese Construction

    Directory of Open Access Journals (Sweden)

    Dongwei Hou

    2016-10-01

    Full Text Available Ternary clay-based composite material (TCC, composed of lime, clay and sand, and usually modified with sticky rice and other organic compounds as additives, was widely used historically in Chinese construction and buildings due to its high mechanical performance. In this study, to gain an insight into the micromechanical mechanism of this cementitious material, the nanomechanical properties and volume fraction of mechanically different phases of the binder matrix are derived from the analysis of grid nanoindentation tests. Results show that there are five distinct mechanical phases, where the calcium silicate hydrate (C-S-H and geopolymer present in the binder matrix are almost identical to those produced in ordinary Portland cement (OPC and alkali-activated fly-ash geopolymer materials in nano-mechanical performance. The nano-mechanical behavior of calcite produced by the carbonation of lime in this binder is close to the calcite porous outer part of some sea urchin shells. Compared to OPC, the C-S-H contained in the TCC has a relatively lower ratio of indentation modulus to indentation hardness, implying a relatively lower resistance to material fracture. However, the geopolymer and calcite, at nearly the same volume content as the C-S-H, help to enhance the strength and durability of the TCC by their higher energy resistance capacity or higher strength compared to the C-S-H. Rediscovering of TCC offers a potential way to improve modern concrete’s strength and durability through synergy of multi-binders and the addition of organic materials if TCC can be advanced in terms of its workability and hardening rate.

  3. Nanoindentation Characterization of a Ternary Clay-Based Composite Used in Ancient Chinese Construction.

    Science.gov (United States)

    Hou, Dongwei; Zhang, Guoping; Pant, Rohit Raj; Shen, Jack S; Liu, Mingming; Luo, Hao

    2016-10-26

    Ternary clay-based composite material (TCC), composed of lime, clay and sand, and usually modified with sticky rice and other organic compounds as additives, was widely used historically in Chinese construction and buildings due to its high mechanical performance. In this study, to gain an insight into the micromechanical mechanism of this cementitious material, the nanomechanical properties and volume fraction of mechanically different phases of the binder matrix are derived from the analysis of grid nanoindentation tests. Results show that there are five distinct mechanical phases, where the calcium silicate hydrate (C-S-H) and geopolymer present in the binder matrix are almost identical to those produced in ordinary Portland cement (OPC) and alkali-activated fly-ash geopolymer materials in nano-mechanical performance. The nano-mechanical behavior of calcite produced by the carbonation of lime in this binder is close to the calcite porous outer part of some sea urchin shells. Compared to OPC, the C-S-H contained in the TCC has a relatively lower ratio of indentation modulus to indentation hardness, implying a relatively lower resistance to material fracture. However, the geopolymer and calcite, at nearly the same volume content as the C-S-H, help to enhance the strength and durability of the TCC by their higher energy resistance capacity or higher strength compared to the C-S-H. Rediscovering of TCC offers a potential way to improve modern concrete's strength and durability through synergy of multi-binders and the addition of organic materials if TCC can be advanced in terms of its workability and hardening rate.

  4. Rapid microwave-assisted preparation of binary and ternary transition metal sulfide compounds

    Energy Technology Data Exchange (ETDEWEB)

    Butala, Megan M.; Perez, Minue A.; Arnon, Shiri; Göbel, Claudia; Preefer, Molleigh B.; Seshadri, Ram

    2017-12-01

    Transition metal chalcogenides are of interest for energy applications, including energy generation in photoelectrochemical cells and as electrodes for next-generation electrochemical energy storage. Synthetic routes for such chalcogenides typically involve extended heating at elevated temperatures for multiple weeks. We demonstrate here the feasibility of rapidly preparing select sulfide compounds in a matter of minutes, rather than weeks, using microwave-assisted heating in domestic microwaves. We report the preparations of phase pure FeS2, CoS2, and solid solutions thereof from the elements with only 40 min of heating. Conventional furnace and rapid microwave preparations of CuTi2S4 both result in a majority of the targeted phase, even with the significantly shorter heating time of 40 min for microwave methods relative to 12 days using a conventional furnace. The preparations we describe for these compounds can be extended to related structures and chemistries and thus enable rapid screening of the properties and performance of various compositions of interest for electronic, optical, and electrochemical applications.

  5. Crystal structure of the ternary semiconductor compound thallium gallium sulfide, TlGaS{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Delgado, G.E. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela)]. E-mail: gerzon@ula.ve; Mora, A.J. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Perez, F.V. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela); Departamento de Fisica, Facultad de Ciencias, Universidad del Zulia, Zulia (Venezuela); Gonzalez, J. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida 5101 (Venezuela)

    2007-04-01

    Thallium gallium sulfide, TlGaS{sub 2}, a semiconductor compound, was prepared by solid-state reaction technique. Its crystal structure was determined by single-crystal X-ray diffraction. This material crystallizes in the monoclinic system with space group C2/c (No. 15), Z=16 and unit cell parameters a=10.2990(8)A, b=10.2840(8)A, c=15.1750(18)A, {beta}=99.603(4){sup o}. The structural refinement converged to R(F)=0.0999, R(F{sup 2})=0.0764 and S=1.067. The structure consists of a three-dimensional arrangement of distorted TlS{sub 8} and GaS{sub 4} polyhedrons. Four GaS{sub 4} tetrahedra form adamantine-like units of the type Ga{sub 4}S{sub 10}, which in turn connect through the corners forming layers that run along the [100] direction.

  6. State-of-the-art Sn2+-based ternary oxides as photocatalysts for water splitting: electronic structures and optoelectronic properties

    KAUST Repository

    Noureldine, Dalal

    2016-09-19

    Developing visible light responsive metal oxide photocatalysts is a challenge that must be conquered to achieve high efficiency for water splitting or hydrogen evolution reactions. Valence band engineering is possible by forming ternary oxides using the combination of a metal cation with an s2d10 electronic configuration and a transition metal oxide with a d0 configuration. Many (Sn2+, Bi3+, Pb2+)-based ternary metal oxide photocatalysts have been reported for hydrogen and/or oxygen evolution under visible irradiation. Sn2+-based materials have attracted particular attention because tin is inexpensive, abundant and more environmentally friendly than lead or bismuth. In this review, we provide a fruitful library for Sn2+-based photocatalysts that have been reported to evolve hydrogen using sacrificial reagents, including SnNb2O6, Sn2Nb2O7, SnTaxNb2−xO6, SnTa2O6, Sn2Ta2O7, SnWO4 (α and β phases), SnSb2O6·nH2O, and Sn2TiO4. The synthesis method used in the literature and the resultant morphology and crystal structure of each compound are discussed. The density functional theory (DFT) calculations of the electronic structure and density of states are provided, and the consequent optoelectronic properties such as band gap, nature of the bandgap, dielectric constant, and effective masses are summarized. This review will help highlight the main challenges for Sn2+-based materials.

  7. Thermodynamic modeling of the Ti-Al-Cr ternary system

    International Nuclear Information System (INIS)

    Chen Leyi; Qiu Aitao; Liu Lanjie; Jiang Ming; Lu Xionggang; Li Chonghe

    2011-01-01

    Research highlights: → The full experimental results of the Ti-Al-Cr ternary system and its sub-binary systems are reviewed and analysed in detail. → Based on the latest thermodynamic assessments of the Ti-Al, Ti-Cr and Al-Cr systems and the ternary experimental data in literature, the thermodynamic parameters of the Ti-Al-Cr ternary system are fully assessed by the Calphad method. → The transformation of disorder to order (bcc a 2 to B2) and the new ternary compound L 12T i 25 Cr 8 Al 67 are considered in this work. - Abstract: The Ti-Al-Cr ternary system is one of the most important systems to studying the titanium alloys. Some experimental data of this ternary system are available and a few partial thermodynamic assessments are reported. However, no full thermodynamic descriptions were published. In this study, the previous work on the Ti-Al-Cr system and its related binary systems are reviewed. Based on the thermodynamic descriptions of the Ti-Al, Ti-Cr and Al-Cr systems and the ternary experimental data in literature, the Ti-Al-Cr ternary system is assessed by means of the Calphad method. Several isothermal sections from 1073 K to 1573 K and some invariant reactions are calculated, which are in good agreement with the most of the experimental results.

  8. Understanding ternary poly(potassium benzimidazolide)-based polymer electrolytes

    DEFF Research Database (Denmark)

    Aili, David; Jankova Atanasova, Katja; Han, Junyoung

    2016-01-01

    Poly(2,20-(m-phenylene)-5,50-bisbenzimidazole) (m-PBI) can dissolve large amounts of aqueous electrolytes to give materials with extraordinary high ion conductivity and the practical applicability has been demonstrated repeatedly in fuel cells, water electrolysers and as anion conducting component...... swelling, high electrolyte uptake, dramatic plasticization and increase of the ion conductivity for the formed poly(potassium benzimidazolide)-based structure. Further increasing the concentration of the bulk solution to 50 wt.% resulted in dehydration and extensive crystallization of the polymer matrix...

  9. Optimisation and Characterisation of Anti-Fouling Ternary SAM Layers for Impedance-Based Aptasensors

    Directory of Open Access Journals (Sweden)

    Anna Miodek

    2015-09-01

    Full Text Available An aptasensor with enhanced anti-fouling properties has been developed. As a case study, the aptasensor was designed with specificity for human thrombin. The sensing platform was developed on screen printed electrodes and is composed of a self-assembled monolayer made from a ternary mixture of 15-base thiolated DNA aptamers specific for human thrombin co-immobilised with 1,6-hexanedithiol (HDT and further passivated with 1-mercapto-6-hexanol (MCH. HDT binds to the surface by two of its thiol groups forming alkyl chain bridges and this architecture protects from non-specific attachment of molecules to the electrode surface. Using Electrochemical Impedance Spectroscopy (EIS, the aptasensor is able to detect human thrombin as variations in charge transfer resistance (Rct upon protein binding. After exposure to a high concentration of non-specific Bovine Serum Albumin (BSA solution, no changes in the Rct value were observed, highlighting the bio-fouling resistance of the surface generated. In this paper, we present the optimisation and characterisation of the aptasensor based on the ternary self-assembled monolayer (SAM layer. We show that anti-fouling properties depend on the type of gold surface used for biosensor construction, which was also confirmed by contact angle measurements. We further studied the ratio between aptamers and HDT, which can determine the specificity and selectivity of the sensing layer. We also report the influence of buffer pH and temperature used for incubation of electrodes with proteins on detection and anti-fouling properties. Finally, the stability of the aptasensor was studied by storage of modified electrodes for up to 28 days in different buffers and atmospheric conditions. Aptasensors based on ternary SAM layers are highly promising for clinical applications for detection of a range of proteins in real biological samples.

  10. Description of the ternary system Cu-Ge-Te

    International Nuclear Information System (INIS)

    Dogguy, M.; Carcaly, C.; Rivet, J.; Flahaut, J.

    1977-01-01

    The Cu-Ge-Te ternary system has been studied by DTA and by crystallographic and metallographic analysis. The existence of a ternary compound Cu 2 GeTe 3 is demonstrated; this compound has a ternary incongruent melting point at 500 0 C. This ternary compound has a superstructure of a zinc blende type. The study shows the existence of five ternary eutectics. Two liquid-liquid miscibility gaps exist: the first is situated entirely in the ternary system; the second gives a monotectic region within the ternary system. (Auth.)

  11. New nanobiomaterials based on irridoidic compounds

    Science.gov (United States)

    Radu, Nicoleta; Corobea, Cosmin; Rau, Ileana

    2009-08-01

    New type of nanomaterials has been synthesized using irridoidic extract derived from Plantago sp. The irridoidic compounds were separated from Plantago lanceolata by successive extraction in aqueous media. The composition of the stable nano-emulsion used for nanomaterials synthesis has been chosen from the pseudo ternary phase diagram and the dimensions of the emulsion were confirmed by Dynamic Light Scattering measurements. The obtained nanodrops were then encapsulated in silica resulting porous core - shell particles which were characterized by Dynamic Light Scattering and electronic microscopy confirming the nanostructure of the new biomaterials.

  12. Ternary fission

    Indian Academy of Sciences (India)

    2015-08-05

    Aug 5, 2015 ... We present the ternary fission of 252Cf and 236U within a three-cluster model as well as in a level density approach. The competition between collinear and equatorial geometry is studied by calculating the ternary fragmentation potential as a function of the angle between the lines joining the stationary ...

  13. Ternary fission

    Indian Academy of Sciences (India)

    respectively, which are expressed in MeV and taken from [12]. The ternary fragmentation potential between the three (spherical) fragments (referred to as PES), within the TCM [1–6], is defined as the sum of the total Coulomb potential, total nuclear potential, ℓ-dependent potential and the sum of the mass excesses of ternary.

  14. Ternary fission

    Indian Academy of Sciences (India)

    the energy minimization of all possible ternary breakups of a heavy radioactive nucleus. Further, within the TCM we have analysed the competition between different geometries as well as different positioning of the fragments. Also, an attempt was made to calculate the mass distribution of ternary fission process within the ...

  15. Effect of ternary alloying elements on microstructure and mechanical property of Nb-Si based refractory intermetallic alloy

    International Nuclear Information System (INIS)

    Kim, W.Y.; Kim, H.S.; Kim, S.K.; Ra, T.Y.; Kim, M.S.

    2005-01-01

    Microstructure and mechanical property at room temperature and at 1773 K of Nb-Si based refractory intermetallic alloys were investigated in terms of compression and fracture toughness test. Mo and V were chosen as ternary alloying elements because of their high melting points, atomic sizes smaller than Nb. Both ternary alloying elements were found to have a significant role in modifying the microstructure from dispersed structure to eutectic-like structure in Nb solid solution/Nb 5 Si 3 intermetallic composites. The 0.2% offset yield strength at room temperature increased with increasing content of ternary elements in Nb solid solution and volume fraction of Nb 5 Si 3 . At 1773 K, Mo addition has a positive role in increasing the yield strength. On the other hand, V addition has a role in decreasing the yield strength. The fracture toughness of ternary alloys was superior to binary alloys. Details will be discussed in correlation with ternary alloying, volume fraction of constituent phase, and the microstructure. (orig.)

  16. High-pressure synthesis of the first ternary melilite-type compound Sc{sub 1.67}B{sub 3}O{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Schmitt, Martin K.; Huppertz, Hubert [Institut fuer Allgemeine, Anorganische und Theoretische Chemie, Universitaet Innsbruck (Austria); Ploner, Kevin [Institut fuer Physikalische Chemie, Universitaet Innsbruck (Austria); Hejny, Clivia [Institut fuer Mineralogie und Petrographie, Universitaet Innsbruck (Austria)

    2017-12-13

    Sc{sub 1.67}B{sub 3}O{sub 7} was synthesized in a high-pressure/high-temperature experiment at 3.5 GPa/1200 C employing a Walker-type multianvil module. The compound was characterized with X-ray diffraction and vibrational spectroscopy. It crystallizes in the tetragonal, acentric space group P42{sub 1}m (no. 113) with the lattice parameters a = 6.6597(4) and c = 4.4364(3) Aa. Sc{sub 1.67}B{sub 3}O{sub 7} is the first ternary compound adopting the melilite-type structure and therefore the simplest representative of this manifold structure family. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project

    DEFF Research Database (Denmark)

    Hummelshøj, Jens Strabo; Landis, David; Voss, Johannes

    2009-01-01

    We present a computational screening study of ternary metal borohydrides for reversible hydrogen storage based on density functional theory. We investigate the stability and decomposition of alloys containing 1 alkali metal atom, Li, Na, or K (M1); and 1 alkali, alkaline earth or 3d/4d transition...

  18. Facile Fabrication of 100% Bio-based and Degradable Ternary Cellulose/PHBV/PLA Composites

    Directory of Open Access Journals (Sweden)

    Tao Qiang

    2018-02-01

    Full Text Available Modifying bio-based degradable polymers such as polylactide (PLA and poly(hydroxybutyrate-co-hydroxyvalerate (PHBV with non-degradable agents will compromise the 100% degradability of their resultant composites. This work developed a facile and solvent-free route in order to fabricate 100% bio-based and degradable ternary cellulose/PHBV/PLA composite materials. The effects of ball milling on the physicochemical properties of pulp cellulose fibers, and the ball-milled cellulose particles on the morphology and mechanical properties of PHBV/PLA blends, were investigated experimentally and statistically. The results showed that more ball-milling time resulted in a smaller particle size and lower crystallinity by way of mechanical disintegration. Filling PHBV/PLA blends with the ball-milled celluloses dramatically increased the stiffness at all of the levels of particle size and filling content, and improved their elongation at the break and fracture work at certain levels of particle size and filling content. It was also found that the high filling content of the ball-milled cellulose particles was detrimental to the mechanical properties for the resultant composite materials. The ternary cellulose/PHBV/PLA composite materials have some potential applications, such as in packaging materials and automobile inner decoration parts. Furthermore, filling content contributes more to the variations of their mechanical properties than particle size does. Statistical analysis combined with experimental tests provide a new pathway to quantitatively evaluate the effects of multiple variables on a specific property, and figure out the dominant one for the resultant composite materials.

  19. Experimental investigation of phase equilibria in the Co-W-V ternary system

    International Nuclear Information System (INIS)

    Liu Xingjun; Zhu Yihong; Yu Yan; Wang Cuiping

    2011-01-01

    Highlights: → Three isothermal sections of the Co-W-V ternary system at 1100 deg. C, 1200 deg. C and 1300 deg. C were determined. → No ternary compound was found in the Co-W-V ternary system. → A stable liquid miscibility gap is newly discovered in the Co-W-V ternary system. → This work is of great essence to establish the thermodynamic database for the Co-based alloys. - Abstract: The phase equilibria in the Co-W-V ternary system were experimentally investigated by optical microscopy (OM), electron probe microanalysis (EPMA) and X-ray diffraction (XRD) on the equilibrated alloys. Three isothermal sections of the Co-W-V ternary system at 1100 deg. C, 1200 deg. C and 1300 deg. C were determined, and no ternary compound was found in this system. In addition, a novel phenomena induced by the liquid phase separation in the Co-W-V alloys was firstly discovered, suggesting that a stable liquid miscibility gap exists in the Co-W-V ternary system. The newly determined phase equilibria and firstly discovered phase separation phenomena in the Co-W-V system will provide important information for the development of Co-W based alloys.

  20. Determining of the growth mechanisms in the MBE growth of ternary Cd1-xAxTe (A = Zn, Mn, Hg) compounds. Part I - Methods of analysis of surface processes

    International Nuclear Information System (INIS)

    Sadowski, J.T.

    1999-01-01

    This paper is the first part of an extended abstract of the PhD thesis entitled 'Determining of the growth mechanisms in MBE growth of ternary Cd 1-x A x Te (A = Zn, Mn, Hg) compounds' written on the base of experiments performed in the MBE Lab. in Institute of Vacuum Technology, Warsaw. In that paper, the scientific problems to be solved in thesis are described. Also the analytical techniques (reflection quadrupole mass spectroscopy (REMS), reflection high-energy electron diffraction (RHEED), and laser interferometry (LI)) used in investigation and its implementation to 'in situ' measurements in MBE growth system are depicted. The experiments and extracted scientific results will be presented in the following paper, in next Elektronika issue. (author)

  1. Highly efficient exciton harvesting and charge transport in ternary blend solar cells based on wide- and low-bandgap polymers.

    Science.gov (United States)

    Wang, Yanbin; Ohkita, Hideo; Benten, Hiroaki; Ito, Shinzaburo

    2015-10-28

    We have designed highly efficient ternary blend solar cells based on a wide-bandgap crystalline polymer, poly(3-hexylthiophene) (P3HT), and a low-bandgap polymer, poly[(4,4'-bis(2-ethylhexyl)dithieno[3,2-b:2'3'-d]silole)-2,6-diyl-alt-(2,1,3-benzothiadiazole)-4,7-diyl] (PSBTBT), and a fullerene derivative (PCBM). By using highly crystalline P3HT, high fill factors were obtained even for ternary blend solar cells, suggesting efficient charge transport due to large P3HT crystalline domains. In such large crystalline domains, some P3HT excitons could not diffuse into the interface with PCBM but can be collected in PSBTBT domains by efficient energy transfer because of large spectral overlap between the P3HT fluorescence and the PSBTBT absorption. Consequently, all the P3HT excitons can contribute to the photocurrent generation at the P3HT/PCBM interface and/or PSBTBT domains mixed with PCBM in the ternary blends. As a result, P3HT/PSBTBT/PCBM ternary blend solar cells exhibit a power conversion efficiency of 5.6%, which is even higher than those of both individual binary devices of P3HT/PCBM and PSBTBT/PCBM.

  2. Ternary fission

    International Nuclear Information System (INIS)

    Wagemans, C.

    1991-01-01

    Since its discovery in 1946, light (charged) particle accompanied fission (ternary fission) has been extensively studied, for spontaneous as well as for induced fission reactions. The reason for this interest was twofold: the ternary particles being emitted in space and time close to the scission point were expected to supply information on the scission point configuration and the ternary fission process was an important source of helium, tritium, and hydrogen production in nuclear reactors, for which data were requested by the nuclear industry. Significant experimental progress has been realized with the advent of high-resolution detectors, powerful multiparameter data acquisition systems, and intense neutron and photon beams. As far as theory is concerned, the trajectory calculations (in which scission point parameters are deduced from the experimental observations) have been very much improved. An attempt was made to explain ternary particle emission in terms of a Plateau-Rayleigh hydrodynamical instability of a relatively long cylindrical neck or cylindrical nucleus. New results have also been obtained on the so-called open-quotes trueclose quotes ternary fission (fission in three about-equal fragments). The spontaneous emission of charged particles has also clearly been demonstrated in recent years. This chapter discusses the main characteristics of ternary fission, theoretical models, light particle emission probabilities, the dependence of the emission probabilities on experimental variables, light particle energy distributions, light particle angular distributions, correlations between light particle accompanied fission observables, open-quotes trueclose quotes ternary fission, and spontaneous emission of heavy ions. 143 refs., 18 figs., 8 tabs

  3. A gravimetric method for the determination of oxygen in uranium oxides and ternary uranium oxides by addition of alkaline earth compounds

    International Nuclear Information System (INIS)

    Fujino, Takeo; Tagawa, Hiroaki; Adachi, Takeo; Hashitani, Hiroshi

    1978-01-01

    A simple gravimetric determination of oxygen in uranium oxides and ternary uranium oxides is described. In alkaline earth uranates which are formed by heating in air at 800-1100 0 C, uranium is in the hexavalent state over certain continuous ranges of alkaline earth-to-uranium ratios. Thus, if an alkaline earth uranate or a compound containing an alkaline earth element, e.g. MgO, is mixed with the oxide sample and heated in air under suitable conditions, oxygen can be determined from the weight change before and after the reaction. The standard deviation of the O:U ratio for a UOsub(2+x) test sample is +-0.0008-0.001, if a correction is applied for atmospheric moisture absorbed during mixing. (Auth.)

  4. Composition Optimization of Lithium-Based Ternary Alloy Blankets for Fusion Reactors

    Science.gov (United States)

    Jolodosky, Alejandra

    The goal of this dissertation is to examine the neutronic properties of a novel type of fusion reactor blanket material in the form of lithium-based ternary alloys. Pure liquid lithium, first proposed as a blanket for fusion reactors, is utilized as both a tritium breeder and a coolant. It has many attractive features such as high heat transfer and low corrosion properties, but most importantly, it has a very high tritium solubility and results in very low levels of tritium permeation throughout the facility infrastructure. However, lithium metal vigorously reacts with air and water and presents plant safety concerns including degradation of the concrete containment structure. The work of this thesis began as a collaboration with Lawrence Livermore National Laboratory in an effort to develop a lithium-based ternary alloy that can maintain the beneficial properties of lithium while reducing the reactivity concerns. The first studies down-selected alloys based on the analysis and performance of both neutronic and activation characteristics. First, 3-D Monte Carlo calculations were performed to evaluate two main neutronics performance parameters for the blanket: tritium breeding ratio (TBR), and energy multiplication factor (EMF). Alloys with adequate results based on TBR and EMF calculations were considered for activation analysis. Activation simulations were executed with 50 years of irradiation and 300 years of cooling. It was discovered that bismuth is a poor choice due to achieving the highest decay heat, contact dose rates, and accident doses. In addition, it does not meet the waste disposal ratings (WDR). The straightforward approach to obtain Monte Carlo TBR and EMF results required 231 simulations per alloy and became computationally expensive, time consuming, and inefficient. Consequently, alternate methods were pursued. A collision history-based methodology recently developed for the Monte Carlo code Serpent, calculates perturbation effects on practically

  5. Quantum Dot Sensitized Solar Cells Based on Ternary Metal Oxide Nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Wenyong [Univ. of Wyoming, Laramie, WY (United States); Tang, Jinke [Univ. of Wyoming, Laramie, WY (United States); Dahnovsky, Yuri [Univ. of Wyoming, Laramie, WY (United States); Pikal, Jon M [Univ. of Wyoming, Laramie, WY (United States); Chien, TeYu [Univ. of Wyoming, Laramie, WY (United States)

    2017-11-03

    In Phase I of this project we investigate quantum dot sensitized solar cells (QDSSCs) based on ternary metal oxide nanowires and study the physical and chemical mechanisms that govern device operation. Our research has the following five objectives: (1) synthesis of ternary metal oxide nanowires, (2) synthesis of QDs and exploration of non-solution based QD deposition methods, (3) physical and electro-optical characterizations of fabricated solar devices, (4) device modeling and first-principle theoretical study of transport physics, and (5) investigation of long-term stability issues of QD sensitized solar cells. In Phase II of this project our first major research goal is to investigate magnetically doped quantum dots and related spin polarization effect, which could improve light absorption and suppress electron relaxation in the QDs. We will utilize both physical and chemical methods to synthesize these doped QDs. We will also study magnetically modified nanowires and introduce spin-polarized transport into QDSSCs, and inspect its impact on forward electron injection and back electron transfer processes. Our second goal is to study novel solid-state electrolytes for QDSSCs. Specifically, we will inspect a new type of polymer electrolytes based on a modified polysulfide redox couple, and examine the effect of their electrical properties on QDSSC performance. These solid-state electrolytes could also be used as filler materials for in situ sample fracturing in STM and enable cross-sectional interface examination of QD/nanowire structures. Our third research goal is to examine the interfacial properties such as energy level alignment at QD/nanowire interfaces using the newly developed Cross-sectional Scanning Tunneling Microscopy and Spectroscopy technique for non-cleavable materials. This technique allows a direct probing of band structures and alignment at device interfaces, which could generate important insight into the mechanisms that govern QDSSC operation

  6. Ternary systems

    International Nuclear Information System (INIS)

    Kagan, D.N.; Hubberstey, P.; Barker, M.G.

    1985-01-01

    The paper reviews the experimental and theoretical studies carried out on multicomponent alkali metal systems. Solid-liquid phase equilibria studies are mainly concerned with the systems Na-K-Rb and Na-K-Cs, and data on the liquidus temperatures in these systems are presented. The thermodynamic properties of the ternary Na-K-Cs eutectic system have been determined experimentally, and the enthalpy, heat capacity and excess functions of the alloy are given. An analysis of calculational methods used in determining thermodynamic functions of ternary liquid metals systems is described. Finally, data are tabulated for the density, compressibility, saturated vapour pressure, viscosity and thermal conductivity of the ternary Na-K-Cs eutectic system. (UK)

  7. Ternary scandium and transition metals germanides

    International Nuclear Information System (INIS)

    Kotur, B.Ya.

    1992-01-01

    Brief review of data on phase diagram of ternary Sc-Me-Ge systems (Me-d - , f-transition element) is given. Isothermal sections at 870 and 1070 K of 17 ternary systems are plotted. Compositions and their structural characteristics are presented. Variability of crystal structure is typical for ternary scandium germanides: 70 compounds with the studied structure belong to 23 structural types. Ternary germanides isostructural to types of Sm 4 Ge 4 , ZrCrSi 2 , ZrNiAl, ScCeSi, TiNiSi U 4 Re 7 Si 6 145 compounds from 70 under investigation are mostly formed in studied systems

  8. Determination for Enterobacter cloacae based on a europium ternary complex labeled DNA probe

    Science.gov (United States)

    He, Hui; Niu, Cheng-Gang; Zeng, Guang-Ming; Ruan, Min; Qin, Pin-Zhu; Liu, Jing

    2011-11-01

    The fast detection and accurate diagnosis of the prevalent pathogenic bacteria is very important for the treatment of disease. Nowadays, fluorescence techniques are important tools for diagnosis. A two-probe tandem DNA hybridization assay was designed for the detection of Enterobacter cloacae based on time-resolved fluorescence. In this work, the authors synthesized a novel europium ternary complex Eu(TTA) 3(5-NH 2-phen) with intense luminescence, high fluorescence quantum yield and long lifetime before. We developed a method based on this europium complex for the specific detection of original extracted DNA from E. cloacae. In the hybridization assay format, the reporter probe was labeled with Eu(TTA) 3(5-NH 2-phen) on the 5'-terminus, and the capture probe capture probe was covalent immobilized on the surface of the glutaraldehyde treated glass slides. The original extracted DNA of samples was directly used without any DNA purification and amplification. The detection was conducted by monitoring the fluorescence intensity from the glass surface after DNA hybridization. The detection limit of the DNA was 5 × 10 -10 mol L -1. The results of the present work proved that this new approach was easy to operate with high sensitivity and specificity. It could be conducted as a powerful tool for the detection of pathogen microorganisms in the environment.

  9. Light-Triggered Ternary Device and Inverter Based on Heterojunction of van der Waals Materials.

    Science.gov (United States)

    Shim, Jaewoo; Jo, Seo-Hyeon; Kim, Minwoo; Song, Young Jae; Kim, Jeehwan; Park, Jin-Hong

    2017-06-27

    Multivalued logic (MVL) devices/circuits have received considerable attention because the binary logic used in current Si complementary metal-oxide-semiconductor (CMOS) technology cannot handle the predicted information throughputs and energy demands of the future. To realize MVL, the conventional transistor platform needs to be redesigned to have two or more distinctive threshold voltages (V TH s). Here, we report a finding: the photoinduced drain current in graphene/WSe 2 heterojunction transistors unusually decreases with increasing gate voltage under illumination, which we refer to as the light-induced negative differential transconductance (L-NDT) phenomenon. We also prove that such L-NDT phenomenon in specific bias ranges originates from a variable potential barrier at a graphene/WSe 2 junction due to a gate-controllable graphene electrode. This finding allows us to conceive graphene/WSe 2 -based MVL logic circuits by using the I D -V G characteristics with two distinctive V TH s. Based on this finding, we further demonstrate a light-triggered ternary inverter circuit with three stable logical states (ΔV out of each state <0.05 V). Our study offers the pathway to substantialize MVL systems.

  10. Large scale simulations of the mechanical properties of layered transition metal ternary compounds for fossil energy power system applications

    Energy Technology Data Exchange (ETDEWEB)

    Ching, Wai-Yim [Univ. of Missouri, Kansas City, MO (United States)

    2014-12-31

    Advanced materials with applications in extreme conditions such as high temperature, high pressure, and corrosive environments play a critical role in the development of new technologies to significantly improve the performance of different types of power plants. Materials that are currently employed in fossil energy conversion systems are typically the Ni-based alloys and stainless steels that have already reached their ultimate performance limits. Incremental improvements are unlikely to meet the more stringent requirements aimed at increased efficiency and reduce risks while addressing environmental concerns and keeping costs low. Computational studies can lead the way in the search for novel materials or for significant improvements in existing materials that can meet such requirements. Detailed computational studies with sufficient predictive power can provide an atomistic level understanding of the key characteristics that lead to desirable properties. This project focuses on the comprehensive study of a new class of materials called MAX phases, or Mn+1AXn (M = a transition metal, A = Al or other group III, IV, and V elements, X = C or N). The MAX phases are layered transition metal carbides or nitrides with a rare combination of metallic and ceramic properties. Due to their unique structural arrangements and special types of bonding, these thermodynamically stable alloys possess some of the most outstanding properties. We used a genomic approach in screening a large number of potential MAX phases and established a database for 665 viable MAX compounds on the structure, mechanical and electronic properties and investigated the correlations between them. This database if then used as a tool for materials informatics for further exploration of this class of intermetallic compounds.

  11. A novel ternary content addressable memory design based on resistive random access memory with high intensity and low search energy

    Science.gov (United States)

    Han, Runze; Shen, Wensheng; Huang, Peng; Zhou, Zheng; Liu, Lifeng; Liu, Xiaoyan; Kang, Jinfeng

    2018-04-01

    A novel ternary content addressable memory (TCAM) design based on resistive random access memory (RRAM) is presented. Each TCAM cell consists of two parallel RRAM to both store and search for ternary data. The cell size of the proposed design is 8F2, enable a ∼60× cell area reduction compared with the conventional static random access memory (SRAM) based implementation. Simulation results also show that the search delay and energy consumption of the proposed design at the 64-bit word search are 2 ps and 0.18 fJ/bit/search respectively at 22 nm technology node, where significant improvements are achieved compared to previous works. The desired characteristics of RRAM for implementation of the high performance TCAM search chip are also discussed.

  12. Automated Facial Expression Recognition Using Gradient-Based Ternary Texture Patterns

    Directory of Open Access Journals (Sweden)

    Faisal Ahmed

    2013-01-01

    Full Text Available Recognition of human expression from facial image is an interesting research area, which has received increasing attention in the recent years. A robust and effective facial feature descriptor is the key to designing a successful expression recognition system. Although much progress has been made, deriving a face feature descriptor that can perform consistently under changing environment is still a difficult and challenging task. In this paper, we present the gradient local ternary pattern (GLTP—a discriminative local texture feature for representing facial expression. The proposed GLTP operator encodes the local texture of an image by computing the gradient magnitudes of the local neighborhood and quantizing those values in three discrimination levels. The location and occurrence information of the resulting micropatterns is then used as the face feature descriptor. The performance of the proposed method has been evaluated for the person-independent face expression recognition task. Experiments with prototypic expression images from the Cohn-Kanade (CK face expression database validate that the GLTP feature descriptor can effectively encode the facial texture and thus achieves improved recognition performance than some well-known appearance-based facial features.

  13. Crystal structure refinement of the ternary compound Cu{sub 2}SnTe{sub 3} by X-ray powder diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Mora, A.J. [Laboratorio de Cristalografia, Departamento de Quimica, Facultad de Ciencias, Universidad de Los Andes, Merida (Venezuela); Marcano, G.; Rincon, C. [Centro de Estudios de Semiconductores, Departamento de Fisica, Facultad de Ciencias, Universidad de Los Andes, Merida (Venezuela); Delgado, G.E.

    2008-04-15

    The ternary compound Cu{sub 2}SnTe{sub 3} crystallizes in the Imm2 (N circle 44) space group, Z=2, with a=2.833(4) A, b=4.274(1) A, c=6.043(1) A, V=331.5(1) A{sup 3}. Its structure was refined from X-ray powder diffraction data using the Rietveld method. The refinement of 25 instrumental and structural variables led to R{sub p}=10.2%, R{sub wp}=11.8%, R{sub exp}=7.7%, R{sub B}=10.6%, S=1.6 and {chi}{sup 2}=2.6, for 5501 step intensities and 163 independent reflections. This compound is isostructural with Cu{sub 2}GeSe{sub 3}, and consists of a three-dimensional arrangement of slightly distorted CuTe{sub 4} and SnTe{sub 4} tetrahedra connected by common corners. (copyright 2008 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  14. A SYNTHESIS METHOD OF BASIC TERNARY BENT-SQUARES BASED ON THE TRIAD SHIFT OPERATOR

    Directory of Open Access Journals (Sweden)

    O. N. Zhdanov

    2017-01-01

    Full Text Available Practical application of advanced algebraic constructions in modern communication systems based on MC-CDMA (Multi Code Code Division Multiple Access technology and in cryptography necessitates their further research. One of the most commonly used advanced algebraic construction is the binary bent-function having a uniform amplitude spectrum of the Walsh-Hadamard transform and, accordingly, having the maximal distance from the codewords of affine code. In addition to the binary bent-functions researchers are currently focuses on the development of synthesis methods of their many-valued analogues. In particular, one of the most effective methods for the synthesis of many-valued bent-functions is the method based on the Agievich bent-squares. In this paper, we developed a regular synthesis method of the ternary bent-squares on the basis of an arbitrary spectral vector and the regular operator of the triad shift. The classification of spectral vectors of lengths N = 3 and N = 9 is performed. On the basis of spectral classification more precise definition of many-valued bent-sequences is given, taking into account the existence of the phenomenon of many-valued bent-sequences for the length, determined by odd power of base. The paper results are valuable for practical use: the development of new constant amplitude codes for MC-CDMA technology, cryptographic primitives, data compression algorithms, signal structures, algorithms of block and stream encryption, based on advanced principles of many-valued logic. The developed bent-squares design method is also a basis for further theoretical research: development of methods of the permutation of rows and columns of basic bent-squares and their sign coding, synthesis of composite bent-squares. In addition, the data on the spectral classification of vectors give the task of constructing the synthesis methods of bent-functions of lengths N = 32k+1, k Є ℕ.

  15. Sn-Sb-Se based binary and ternary alloys for phase change memory applications

    Energy Technology Data Exchange (ETDEWEB)

    Chung, Kyung-Min

    2008-10-28

    In this work, the effect of replacing Ge by Sn and Te by Se was studied for a systematic understanding and prediction of new potential candidates for phase change random access memories applications. The temperature dependence of the electrical/structural properties and crystallization kinetics of the Sn-Se based binary and Sn-Sb-Se based ternary alloys were determined and compared with those of the GeTe and Ge-Sb-Te system. The temperature dependence of electrical and structural properties were investigated by van der Pauw measurements, X-ray diffraction, X-ray reflectometry. By varying the heating rate, the Kissinger analysis has been used to determine the combined activation barrier for crystallization. To screen the kinetics of crystallization, a static laser tester was employed. In case of binary alloys of the type Sn{sub x}Se{sub 1-x}, the most interesting candidate is SnSe{sub 2} since it crystallizes into a single crystalline phase and has high electrical contrast and reasonably high activation energy for crystallization. In addition, the SnSe{sub 2}-Sb{sub 2}Se{sub 3} pseudobinary alloy system also might be sufficient for data retention due to their higher transition temperature and activation energy for crystallization in comparison to GeTe-Sb{sub 2}Te{sub 3} system. Furthermore, SnSe{sub 2}-Sb{sub 2}Se{sub 3} pseudobinary alloys have a higher crystalline resistivity. The desired rapid crystallization speed can be obtained for Sn{sub 1}Sb{sub 2}Se{sub 5} and Sn{sub 2}Sb{sub 2}Se{sub 7} alloys. (orig.)

  16. Cyclodextrin based ternary system of modafinil: Effect of trimethyl chitosan and polyvinylpyrrolidone as complexing agents.

    Science.gov (United States)

    Patel, Parth; Agrawal, Y K; Sarvaiya, Jayrajsinh

    2016-03-01

    Modafinil is an approved drug for the treatment of narcolepsy and have a strong market presence in many countries. The drug is widely consumed for off-label uses and currently listed as a restricted drug. Modafinil has very low water solubility. To enhance the aqueous solubility of modafinil by the formation of a ternary complex with Hydroxypropyl-β-cyclodextrin and two hydrophilic polymers was the main objective of the present study. Pyrrolidone (PVP K30) and a water soluble chitosan derivative, trimethyl chitosan (TMC) were studied by solution state and solid state characterization methods for their discriminatory efficiency in solubility enhancement of modafinil. Phase solubility study depicted the highest complexation efficiency (2.22) of cyclodextrin derivative in the presence of TMC compared to the same in the presence of PVP K30 (0.08) and in the absence of any polymer (0.92). FT-IR analysis of binary and ternary complex expressed comparable contribution of both polymers in formation of inclusion complex. The thermal behaviour of binary and ternary complex, involving individual polymers disclosed the influence of TMC on polymorphism of the drug. DSC study revealed efficiency of TMC to prevent conversion of metastable polymorphic form to stable polymorphic form. Ternary complex, involving TMC enhanced water solubility of the drug 1.5 times more compared to the binary complex of the drug whereas PVP K30 reduced the Solubility. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. Experimental investigation of phase equilibria in the Zr-Cu-Ni ternary system

    International Nuclear Information System (INIS)

    Yang, Mujin; Wang, Cuiping; Yang, Shuiyuan; Shi, Zhan; Han, Jiajia; Liu, Xingjun

    2017-01-01

    The phase equilibria in the Zr-Cu-Ni ternary system are investigated combined with X-ray diffraction, electron probe micro-analysis and differential scanning calorimetry. Two isothermal sections of the Zr-Cu-Ni ternary system at 1 000 C and 1 100 C are experimentally established. Most of the binary intermetallic compounds, e.g. Zr 7 Ni 10 , ZrNi, ZrNi 5 , Zr 14 Cu 51 , and Zr 2 Cu 9 , show a remarkable ternary solubility. A new ternary compound named τ 3 (Zr 31.1-30.7 . Cu 28.5-40.3 Ni 40.4-29.0 ) is detected at 1 000 C and dissolved at 1 020 C because the nearby large liquid phase field further expands. The newly determined phase equilibria will provide important information for both thermodynamic assessment and alloy design of Zr-based metallic glass.

  18. Magnetic Properties of the Ternary Compounds CeT2Si2 and UT2Si2

    NARCIS (Netherlands)

    Palstra, T.T.M.; Menovsky, A.A.; Nieuwenhuys, G.J.; Mydosh, J.A.

    1986-01-01

    We have investigated the magnetic properties of the intermetallic compounds CeT2Si2 and UT2Si2, with T a transition metal. From our measurements we have determined a trend from Pauli-paramagnetism via antiferromagnetism to canted antiferromagnetism with increasing number of d-electrons.

  19. Magnetic Properties of Ternary DyMn_2X_2 Compounds (X=Si and Ge)(Magnetism)

    OpenAIRE

    Hideya, Onodera; Hisao, Kobayashi; Takahito, Ono; Masayoshi, Ohashi; Hiroshi, Yamauchi; Yasuo, Yamaguchi; Institute for Materials Research, Tohoku University; Institute for Materials Research, Tohoku University:(Present address)Electrotechnical Laboratory; Institute for Materials Research, Tohoku University:(Present address)Research Laboratory, Oki Electric Industry Co. Ltd.; Institute for Materials Research, Tohoku University; Institute for Materials Research, Tohoku University; Institute for Materials Research, Tohoku University

    1993-01-01

    Magnetic properties of DyMn_2Si_2, DyMn_2Ge_2 and their mixed compounds DyMn_2(Si_Ge_x)_2, which display a variety of interesting magnetic behaviors originating in competing magnetic interactions and anisotropy, have been investigated systematically by magnetization mesurements ^Dy Mossbauer spectroscopy and neutron diffraction experiments. This report presents a review of the results mainly obtained by the magnetization measurements.

  20. Search for new ternary Al, Ga or In containing phases using information forecasting system

    International Nuclear Information System (INIS)

    Kiseleva, N.N.; Burkhanov, G.S.

    1989-01-01

    Automated system of search for regularities in the formation of crystal phases and forecasting of new compounds with required properties, comprising data base on the properties of ternary inorganic compounds and cybernetic forecasting system, has been developed. General principles of operation of the developed information-forecasting system are considered. Efficiency of the system operation is shown, using as an example the search for new ternary compounds with aluminium, gallium and indium, crystallized in ZrNiAl, TiNiSi, ThCr 2 Si 2 , CaAl 2 Si 2 structural types. Results of the above-mentioned phases forecasting are shown

  1. Superconductor based ternary periodic multilayered structure as a single and multichanneled filter in the terahertz region.

    Science.gov (United States)

    D'souza, Nirmala Maria; Mathew, Vincent

    2017-08-20

    A single as well as a multichanneled filter in the terahertz region has been proposed by designing a one-dimensional photonic crystal (PhC) structure using a high-temperature superconductor air-dielectric ternary periodic structure. The filter is designed without incorporating any defect, which has rarely been proposed in a ternary PhC structure. The theoretical study of transmittance was performed by applying the transfer matrix method. The transition from single channel to desired multichannel is achieved by adjusting the number of periods. Furthermore, the impact of the thicknesses and dielectric constants of the constituting layers was investigated. In addition to this, the tunability is achieved by the influence of temperature-dependent dielectric constant of the superconductor.

  2. Liesegang bands in internally oxidized AgCd-based ternary alloys

    International Nuclear Information System (INIS)

    Van Rooijen, V.A.; Van Royen, E.W.; Vrijen, J.; Radelaar, S.

    1975-01-01

    The origin of the occurrence of Liesegang band formation (periodic precipitation) during internal oxidation of AgCd alloys containing concentrations of Be, Mg, Al, or Y were investigated both experimentally and theoretically. A simple model of internal oxidation of ternary alloys is presented. The theory predicts band spacing as a function of temperature, Cd concentration, and concentration of the third element in good agreement with experimental results. (U.S.)

  3. Refractive index of ternary and quaternary compound semiconductors below the fundamental absorption edge: Linear and nonlinear effects

    International Nuclear Information System (INIS)

    Jensen, B.; Torabi, A.

    1985-01-01

    The index of refraction n is calculated as a function of frequency and mole fraction x for the following compounds: Hg/sub l-x/Cd/sub x/Te, Al/sub x/Ga/sub l-x/As, and In/sub l-x/Ga/sub x/As/sub y/P/sub l-y/ lattice matched to InP. Lattice matching of In/sub l-x/Ga/sub x/As/sub y/P/sub l-y/ to InP requires that x = 0.466 y. The theoretical result for the refractive index is obtained from a quantum mechanical calculation of the dielectric constant of a compound semiconductor. It is given in terms of the basic material parameters of band gap energy, effective electron mass m/sub n/, effective heavy hole mass m/sub rho/, spin orbit splitting energy, lattice constant, and carrier concentration n/sub e/ or rho for n-type or rho-type materials, respectively. If these quantities are known as functions of mole fraction x, there are no adjustable parameters involved. A negative change in the refractive index near the fundamental absorption edge is predicted on passing radiation through a crystal if the change in carrier concentration of the initially unoccupied conduction band is assumed proportional to internal intensity I. Comparison of theory with experimental data is given

  4. Ternary copper(II) complexes with amino acid chains and heterocyclic bases: DNA binding, cytotoxic and cell apoptosis induction properties.

    Science.gov (United States)

    Ma, Tieliang; Xu, Jun; Wang, Yuan; Yu, Hao; Yang, Yong; Liu, Yang; Ding, Weiliang; Zhu, Wenjiao; Chen, Ruhua; Ge, Zhijun; Tan, Yongfei; Jia, Lei; Zhu, Taofeng

    2015-03-01

    Nowadays, chemotherapy is a common means of oncology. However, it is difficult to find excellent chemotherapy drugs. Here we reported three new ternary copper(II) complexes which have potential chemotherapy characteristics with reduced Schiff base ligand and heterocyclic bases (TBHP), [Cu(phen)(TBHP)]H2O (1), [Cu(dpz)(TBHP)]H2O (2) and [Cu(dppz)(TBHP)]H2O (3) (phen=1,10-phenanthroline, dpz=dipyrido [3,2:2',3'-f]quinoxaline, dppz=dipyrido [3,2-a:2',3'-c]phenazine, H2TBHP=2-(3,5-di-tert-butyl-2-hydroxybenzylamino)-2-benzyl-acetic acid). The DNA-binding properties of the complexes were investigated by spectrometric titrations, ethidium bromide displacement experiments and viscosity measurements. The results indicated that the three complexes, especially the complex 13, can strongly bind to calf-thymus DNA (CT-DNA). The intrinsic binding constants Kb of the ternary copper(II) complexes with CT-DNA were 1.37×10(5), 1.81×10(5) and 3.21×10(5) for 1, 2 and 3 respectively. Comparative cytotoxic activities of the copper(II) complexes were also determined by 3-(4,5-dimethylthiazol-2yl)-2,5-diphenyltetrazolium bromide (MTT) assay. The results showed that the ternary copper(II) complexes had significant cytotoxic activity against the human lung cancer (A549), human esophageal cancer (Eca109) and human gastric cancer (SGC7901) cell lines. Cell apoptosis were detected by AnnexinV/PI flow cytometry and by Western blotting with the protein expression of p53, Bax and Bcl-2. All the three copper complexes can effectively induce apoptosis of the three human tumor cells. Copyright © 2014 Elsevier Inc. All rights reserved.

  5. Strain/size analysis in ternary compounds AgIn{sub 5} VI{sub 8} (Vi = S, Se, Te) by X-ray diffraction; Analisis de tension/tamano en compuestos ternarios AgIn{sub 5} VI{sub 8} (VI = S, Se, Te) mediante difraccion de rayos X

    Energy Technology Data Exchange (ETDEWEB)

    Fermin, J. R.; Salcedo, D. Y.; Durante R, C.; Castro, J. A. [Universidad del Zulia, Facultad Experimental de Ciencias, Departamento de Fisica, Maracaibo, Zulia (Venezuela, Bolivarian Republic of)

    2017-11-01

    In this work, we have study the microstructural properties of the ternary compounds AgIn{sub 5} VI{sub 8} (Vi = S, Se, Te) by X-ray diffraction technique (XRD). The linewidth of the XRD profile is measured as function of the diffraction angle. Structural parameters such as, average grain size, micro strains, and crystalline dislocation density, are obtained on the framework of a strain/size analysis based on the modified Scherrer equation for Gaussian profiles. The crystalline dislocation arrange according to a Gaussian distribution function, indicating that these dislocations are randomly distributed within the grains. (Author)

  6. Heavy-Fermion Compound of the Ternary Phosphide Ce2Pt8P with a Non-Centrosymmetric Structure

    Science.gov (United States)

    Kase, Naoki; Furukawa, Shoh; Nakano, Tomohito; Takeda, Naoya

    2017-01-01

    The low-temperature properties of Ce2Pt8P are studied by magnetic susceptibility χ(T), electrical resistivity ρ(T), and specific heat C(T) measurements. The crystal structure is considered to be analogs of the CePt3Si-type structure. From the magnetic susceptibility χ(T), the effective paramagnetic moment μeff is estimated to be 2.30 μB/Ce, suggesting that the valence state of Ce ions is expected to be close to trivalent (Ce3+). The paramagnetic Curie-Weiss temperature θcw is determined to be 12 K. The electrical resistivity ρ(T) shows -ln T dependence with a small slope from 10 to 3 K, which indicates a weak Kondo anomaly. The specific heat exhibits a λ-type anomaly at around T* = 1.0 K, while the magnetic entropy at T* is reduced to 80% of R ln 2. The linear coefficient of specific heat is determined to be 145 mJ/(mol-Ce·K2). From several measurements, Ce2Pt8P can be classified as a moderate heavy-fermion compound. The ground state is far from the quantum-critical point (QCP) compared with CePt3Si. La2Pt8P shows normal metallic behavior and no superconductivity is observed above 0.28 K.

  7. Thermodynamic description of the Al-Cu-Yb ternary system supported by first-principles calculations

    Directory of Open Access Journals (Sweden)

    Huang G.

    2016-01-01

    Full Text Available Phase relationships of the ternary Al-Cu-Yb system have been assessed using a combination of CALPHAD method and first principles calculations. A self-consistent thermodynamic parameter was established based on the experimental and theoretical information. Most of the binary intermetallic phases, except Al3Yb, Al2Yb, Cu2Yb and Cu5Yb, were assumed to be zero solubility in the ternary system. Based on the experimental data, eight ternary intermetallic compounds were taken into consideration in this system. Among them, three were treated as line compounds with large homogeneity ranges for Al and Cu. The others were treated as stoichiometric compounds. The calculated phase diagrams were in agreement with available experimental and theoretical data.

  8. Three coordination compounds based on benzene tetracarboxylate ...

    Indian Academy of Sciences (India)

    YUNLONG WU

    tallization of coordination compounds,10,41–43 and this strategy was adopted for the reaction of H4btec and cobalt(II) metal salts in water with NaOH as base and pyridyl as auxiliary ligands. Structure difference in compounds 1–3 may be attributed to the different coordination modes of H4btec ligand as well as dif-.

  9. Influence of Surface Energy on Organic Alloy Formation in Ternary Blend Solar Cells Based on Two Donor Polymers.

    Science.gov (United States)

    Gobalasingham, Nemal S; Noh, Sangtaik; Howard, Jenna B; Thompson, Barry C

    2016-10-05

    The compositional dependence of the open-circuit voltage (V oc ) in ternary blend bulk heterojunction (BHJ) solar cells is correlated with the miscibility of polymers, which may be influenced by a number of attributes, including crystallinity, the random copolymer effect, or surface energy. Four ternary blend systems featuring poly(3-hexylthiophene-co-3-(2-ethylhexyl)thiophene) (P3HT 75 -co-EHT 25 ), poly(3-hexylthiophene-co-(hexyl-3-carboxylate)), herein referred to as poly(3-hexylthiophene-co-3-hexylesterthiophene) (P3HT 50 -co-3HET 50 ), poly(3-hexylthiophene-thiophene-diketopyrrolopyrrole) (P3HTT-DPP-10%), and an analog of P3HTT-DPP-10% with 40% of 3-hexylthiophene exchanged for 2-(2-methoxyethoxy)ethylthiophen-2-yl (3MEO-T) (featuring an electronically decoupled oligoether side-chain), referred to as P3HTTDPP-MEO40%, are explored in this work. All four polymers are semicrystalline and rich in rr-P3HT content and perform well in binary devices with PC 61 BM. Except for P3HTTDPP-MEO40%, all polymers exhibit similar surface energies (∼21-22 mN/m). P3HTTDPP-MEO40% exhibits an elevated surface energy of around 26 mN/m. As a result, despite the similar optoelectronic properties and binary solar cell performance of P3HTTDPP-MEO40% compared to P3HTT-DPP-10%, the former exhibits a pinned V oc in two different sets of ternary blend devices. This is a stark contrast to previous rr-P3HT-based systems and demonstrates that surface energy, and its influence on miscibility, plays a critical role in the formation of organic alloys and can supersede the influence of crystallinity, the random copolymer effect, similar backbone structures, and HOMO/LUMO considerations. Therefore, we confirm surface energy compatibility as a figure-of-merit for predicting the compositional dependence of the V oc in ternary blend solar cells and highlight the importance of polymer miscibility in organic alloy formation.

  10. Matrix- and tensor-based recommender systems for the discovery of currently unknown inorganic compounds

    Science.gov (United States)

    Seko, Atsuto; Hayashi, Hiroyuki; Kashima, Hisashi; Tanaka, Isao

    2018-01-01

    Chemically relevant compositions (CRCs) and atomic arrangements of inorganic compounds have been collected as inorganic crystal structure databases. Machine learning is a unique approach to search for currently unknown CRCs from vast candidates. Herein we propose matrix- and tensor-based recommender system approaches to predict currently unknown CRCs from database entries of CRCs. Firstly, the performance of the recommender system approaches to discover currently unknown CRCs is examined. A Tucker decomposition recommender system shows the best discovery rate of CRCs as the majority of the top 100 recommended ternary and quaternary compositions correspond to CRCs. Secondly, systematic density functional theory (DFT) calculations are performed to investigate the phase stability of the recommended compositions. The phase stability of the 27 compositions reveals that 23 currently unknown compounds are newly found to be stable. These results indicate that the recommender system has great potential to accelerate the discovery of new compounds.

  11. Neutronics Evaluation of Lithium-Based Ternary Alloys in IFE Blankets

    Energy Technology Data Exchange (ETDEWEB)

    Jolodosky, A. [Univ. of California, Berkeley, CA (United States); Fratoni, M. [Univ. of California, Berkeley, CA (United States)

    2015-09-22

    , low electrical conductivity and therefore low MHD pressure drop, low chemical reactivity, and extremely low tritium inventory; the addition of sodium (FLiNaBe) has been considered because it retains the properties of FliBe but also lowers the melting point. Although many of these blanket concepts are promising, challenges still remain. The limited amount of beryllium available poses a problem for ceramic breeders such as the HCPB. FLiBe and FLiNaBe are highly viscous and have a low thermal conductivity. Lithium lead possesses a poor thermal conductivity which can cause problems in both DCLL and LiPb blankets. Additionally, the tritium permeation from these two blankets into plant components can be a problem and must be reduced. Consequently, Lawrence Livermore National Laboratory (LLNL) is attempting to develop a lithium-based alloy—most likely a ternary alloy—which maintains the beneficial properties of lithium (e.g. high tritium breeding and solubility) while reducing overall flammability concerns for use in the blanket of an inertial fusion energy (IFE) power plant. The LLNL concept employs inertial confinement fusion (ICF) through the use of lasers aimed at an indirect-driven target composed of deuterium-tritium fuel. The fusion driver/target design implements the same physics currently experimented at the National Ignition Facility (NIF). The plant uses lithium in both the primary coolant and blanket; therefore, lithium-related hazards are of primary concern. Although reducing chemical reactivity is the primary motivation for the development of new lithium alloys, the successful candidates will have to guarantee acceptable performance in all their functions. The scope of this study is to evaluate the neutronics performance of a large number of lithium-based alloys in the blanket of the IFE engine and assess their properties upon activation. This manuscript is organized as follows: Section 12 presents the models and methodologies used for the analysis; Section

  12. Binary and ternary niobium-base superconductors by the infiltration process

    International Nuclear Information System (INIS)

    Pickus, M.R.; Holthius, J.T.; Rosen, M.

    1980-06-01

    This report summarizes the work on high field superconducting materials and processes performed at the Materials and Molecular Research Division of the Lawrence Berkeley Laboratory. Two major interrelated focal points characterize this research. One was the decision to restrict the effort to A-15 compounds because of their superior critical temperatures and critical fields. The inherent brittleness of these compounds along with the requirement for a filamentary morphology led to the second focal point: a heavy reliance on a powder approach for the fabrication of superconducting tapes and wires. There have been exceptions to the use of powder techniques where special circumstances such as the nature of a particular alloy system suggested on alternative approach. The quench-age technique described herein is an example of a non-powder approach. Here the niobium-aluminum system is involved and the methodology is based on the fact that in a certain composition range a solid solution of aluminum in niobium is the stable phase at elevated temperatures (1950 0 C), whereas at lower temperatures ( 0 C) the stable phase is the desired A-15 compound. Additionally, niobium forms deformation twins which were found to be effective sites for the nucleation of the A-15 phase

  13. Three coordination compounds based on benzene tetracarboxylate ...

    Indian Academy of Sciences (India)

    YUNLONG WU

    Three coordination compounds based on benzene tetracarboxylate ligand: syntheses, structures, thermal behaviors and luminescence properties. YUNLONG WU, CHANGKUN XIA, JUN QIAN and JIMIN XIE. ∗. School of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013,. People's Republic of ...

  14. The ternary systems Sc-Sm(Dy)-Si at 870 K

    International Nuclear Information System (INIS)

    Kotur, B.Ya.; Mokra, I.Ya.; Toporinskij, A.Ya.

    1991-01-01

    Isothermal cross sections of the ternary systems Sc-Sm-Si and Sc-Dy-Si at 870 K have been plotted. Investigation of scandium and disprosium in ternary systems have been examined by X-ray diffraction and microstructure analysis. Besides literary data on binary systems Sc-Si, Sm-Si, Dy-Si have been used. Formation of limited (Sc-Sm-Si, Sc-Dy-Si) and continuous (Sc-Dy-Si) solid solutions based on bisilicides of Sc and Sm(Dy) is discovered. Two and five ternary compounds in Sc-Sm-Si and Sc-Dy-Si systems have been determined and their crystal structure has been established. When investigating of Sc-(rare earth element)-Si ternary systems and should take into account the specific interaction of scandium and samarium with REE

  15. Rheological study of self-compacting mortars based on ternary cements

    Directory of Open Access Journals (Sweden)

    Elhadja Dada

    2018-01-01

    Full Text Available Self-compacting concrete (SCC is able to provide the ability to be easily implemented without vibration and to achieve spectacular structures, by its high fluidity and its rheological stability. By against its formulation requires a large volume of cement, which is necessary to allow its flow. The current environmental considerations lead to reduce the production of clinker however, it is essential to use cementitious additions to replace cement, because of their high availability and their moderate price. Furthermore, their use contributes in a simple and economical way to solve the problems related to the environment. The objective of our work is to study the effects of the incorporation of mineral additions such as: blast furnace slag of El-Hadjar (BFS, and marble powder (MP on the rheological parameters of selfcompacting mortars developed in different combinations in ternary system with a substitution rate ranging from 20% to 60%. According to this study, it been found that the substitution of cement by blast furnace slag and marble powder has negatively affected the rheological behavior of the mixtures. In addition, a considerable decrease in the rheological parameters has been achieved with a substitution rate of 20% of slag and 30% of marble powder. As well as an improvement of workability has been proven to self-compacting mortars and this is due to the increase of ternary cement replacement rate by marble powder from 20% to 30%.

  16. A new ternary composite based on carbon nanotubes/polyindole/graphene with preeminent electrocapacitive performance for supercapacitors

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Weigang; Wu, Shishan, E-mail: shishanwu@nju.edu.cn

    2017-02-28

    Graphical abstract: This paper presents a new sandwich-like ternary composite, which was obtained from a two-step method, showing preeminent electrocapacitive performance for supercapacitors. - Highlights: • CNTs/Polyindole/graphene composite has been firstly fabricated with an optimal feed ratio. • The Polyindole shell enhances the dispersity and electrocapacitive performances of CNTs. • The CNTs/Polyindole/graphene exhibited preeminent capacitance and cycling stability. - Abstract: In this work, a hybrid nanocomposite based on carbon nanotubes (CNTs), polyindole (PIn) and reduced graphene oxides (RGO) was firstly fabricated and the optimal feed ratio of this composite was investigated. The morphology and structure of CNTs/PIn/RGO composite were investigated by Raman spectroscopy, X-ray photoelectron spectroscopy (XPS) and transmission electron microscope (TEM). The electrocapacitive performances of this ternary electrode composite were researched by cyclic voltammetry (CV), galvanostatic charge-discharge (GCD) and electrochemical impedance spectroscopy (EIS). And the specific surface area and pore size distribution of the samples were investigated by nitrogen adsorption–desorption isotherms. The prepared composite shows high dispersibility, high specific capacitance and excellent stability. Specifically, the CNTs/PIn/RGO composite exhibits a large specific capacitance of 383 F g{sup −1} at 1 A g{sup −1} and outstanding cycling stability of 88.79% capacitive retention after 3000 cycles at 10 A g{sup −1}. It was anticipated that CNTs/PIn/RGO12 composite could be a practical and valuable material for the application of supercapacitors.

  17. Structural stability of ternary C22–Zr6X2Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and C22–Zr6Sn2T′ (T′=Fe, Co, Ni, Cu) compounds

    International Nuclear Information System (INIS)

    Colinet, Catherine; Crivello, Jean-Claude; Tedenac, Jean-Claude

    2013-01-01

    The crystal and electronic structures, and the thermodynamic properties of Zr 6 X 2 Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr 6 Sn 2 T′ (T′=Fe, Co, Ni, Cu) ternary compounds in the Fe 2 P-type structure have been investigated by means of first principle calculations. The calculated structural parameters are in good agreement with the experimental data. The total electronic densities of states as well as the Bader charges of the atoms have been computed. Both electronic and size effects allow to explain the stability of the ternary Zr 6 X 2 Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr 6 Sn 2 T′ (T′=Fe, Co, Ni, Cu) compounds. - Graphical abstract: Valence charge electronic localization function (ELF) calculated for Zr 6 Sb 2 Co compound. Display Omitted - Highlights: • Structural stability of Zr 6 X 2 T′ compounds (X: p element, T′: late transition metal) in the Fe 2 P-type structure. • First principles calculation of lattice parameters and enthalpies of formation. • Electronic densities of state in the series Zr 6 Sn 2 T′ (T′=Fe, Co, Ni, Cu). • Electronic densities of state in the series Zr 6 X 2 Co (X=Al, Ga, Sn, As, Sb, Bi, Te)

  18. Determination of thermodynamic properties of aluminum based binary and ternary alloys

    Energy Technology Data Exchange (ETDEWEB)

    Altıntas, Yemliha [Abdullah Gül University, Faculty of Engineering, Department of Materials Science and Nanotechnology, 38039, Kayseri (Turkey); Aksöz, Sezen [Nevşehir Hacı Bektaş Veli University, Faculty of Arts and Science, Department of Physics, 50300, Nevşehir (Turkey); Keşlioğlu, Kâzım, E-mail: kesli@erciyes.edu.tr [Erciyes University, Faculty of Science, Department of Physics, 38039, Kayseri (Turkey); Maraşlı, Necmettin [Yıldız Technical University, Faculty of Chemical and Metallurgical Engineering, Department of Metallurgical and Materials Engineering, 34210, Davutpaşa, İstanbul (Turkey)

    2015-11-15

    In the present work, the Gibbs–Thomson coefficient, solid–liquid and solid–solid interfacial energies and grain boundary energy of a solid Al solution in the Al–Cu–Si eutectic system were determined from the observed grain boundary groove shapes by measuring the thermal conductivity of the solid and liquid phases and temperature gradient. Some thermodynamic properties such as the enthalpy of fusion, entropy of fusion, the change of specific heat from liquid to solid and the electrical conductivity of solid phases at their melting temperature were also evaluated by using the measured values of relevant data for Al–Cu, Al–Si, Al–Mg, Al–Ni, Al–Ti, Al–Cu–Ag, Al–Cu–Si binary and ternary alloys. - Highlights: • The microstructure of the Al–Cu–Si eutectic alloy was observed through SEM. • The three eutectic phases (α-Al, Si, CuAl{sub 2}) have been determined by EDX analysis. • Solid–liquid and solid–solid interfacial energies of α-Al solution were determined. • ΔS{sub f},ΔH{sub M}, ΔC{sub P}, electrical conductivity of solid phases for solid Al solutions were determined. • G–T coefficient and grain boundary energy of solid Al solution were determined.

  19. Three coordination compounds based on benzene tetracarboxylate ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Chemical Sciences; Volume 129; Issue 8. Three coordination compounds based on benzene tetracarboxylate ligand: syntheses, structures, thermal behaviors and luminescence properties. YUNLONG WU CHANGKUN XIA JUN QIAN JIMIN XIE. REGULAR ARTICLE Volume 129 Issue 8 August ...

  20. Omnidirectional photonic band gap enlarged by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure

    Energy Technology Data Exchange (ETDEWEB)

    Zhang Haifeng [College of Electronic and Information Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Nanjing Artillery Academy, Nanjing 211132 (China); Liu Shaobin [College of Electronic and Information Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); State Key Laboratory of Millimeter Waves of Southeast University, Nanjing Jiangsu 210096 (China); Kong Xiangkun; Bian Borui; Dai Yi [College of Electronic and Information Engineering, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

    2012-11-15

    In this paper, an omnidirectional photonic band gap realized by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure, which is composed of homogeneous unmagnetized plasma and two kinds of isotropic dielectric, is theoretically studied by the transfer matrix method. It has been shown that such an omnidirectional photonic band gap originates from Bragg gap in contrast to zero-n gap or single negative (negative permittivity or negative permeability) gap, and it is insensitive to the incidence angle and the polarization of electromagnetic wave. From the numerical results, the frequency range and central frequency of omnidirectional photonic band gap can be tuned by the thickness and density of the plasma but cease to change with increasing Fibonacci order. The bandwidth of omnidirectional photonic band gap can be notably enlarged. Moreover, the plasma collision frequency has no effect on the bandwidth of omnidirectional photonic band gap. It is shown that such new structure Fibonacci quasiperiodic one-dimensional ternary plasma photonic crystals have a superior feature in the enhancement of frequency range of omnidirectional photonic band gap compared with the conventional ternary and conventional Fibonacci quasiperiodic ternary plasma photonic crystals.

  1. Preparation and properties of compound Arnebiae radix ...

    African Journals Online (AJOL)

    The aim of this study was to prepare a compound Arnebiae radix microemulsion gel for transdermal delivery system and evaluate its characteristics. Materials and Methods: Based on ... previous used formulations. Keywords: Compound Arnebiae radix oil, microemulsion gel, pseudo-ternary phase diagram, characterization ...

  2. Compositional dependence of the open-circuit voltage in ternary blend bulk heterojunction solar cells based on two donor polymers.

    Science.gov (United States)

    Khlyabich, Petr P; Burkhart, Beate; Thompson, Barry C

    2012-06-06

    Ternary blend bulk heterojunction (BHJ) solar cells containing as donor polymers two P3HT analogues, high-band-gap poly(3-hexylthiophene-co-3-(2-ethylhexyl)thiophene) (P3HT(75)-co-EHT(25)) and low-band-gap poly(3-hexylthiophene-thiophene-diketopyrrolopyrrole) (P3HTT-DPP-10%), with phenyl-C(61)-butyric acid methyl ester (PC(61)BM) as an acceptor were studied. When the ratio of the three components was varied, the open-circuit voltage (V(oc)) increased as the amount of P3HT(75)-co-EHT(25) increased. The dependence of V(oc) on the polymer composition for the ternary blend regime was linear when the overall polymer:fullerene ratio was optimized for each polymer:polymer ratio. Also, the short-circuit current densities (J(sc)) for the ternary blends were bettter than those of the binary blends because of complementary polymer absorption, as verified using external quantum efficiency measurements. High fill factors (FF) (>0.59) were achieved in all cases and are attributed to high charge-carrier mobilities in the ternary blends. As a result of the intermediate V(oc), increased J(sc) and high FF, the ternary blend BHJ solar cells showed power conversion efficiencies of up to 5.51%, exceeding those of the corresponding binary blends (3.16 and 5.07%). Importantly, this work shows that upon optimization of the overall polymer:fullerene ratio at each polymer:polymer ratio, high FF, regular variations in V(oc), and enhanced J(sc) are possible throughout the ternary blend composition regime. This adds to the growing evidence that the use of ternary blends is a general and effective strategy for producing efficient organic photovoltaics manufactured in a single active-layer processing step.

  3. Quinoline-based antimalarial hybrid compounds.

    Science.gov (United States)

    Vandekerckhove, Stéphanie; D'hooghe, Matthias

    2015-08-15

    Quinoline-containing compounds, such as quinine and chloroquine, have a long-standing history as potent antimalarial agents. However, the increasing resistance of the Plasmodium parasite against these drugs and the lack of licensed malaria vaccines have forced chemists to develop synthetic strategies toward novel biologically active molecules. A strategy that has attracted considerable attention in current medicinal chemistry is based on the conjugation of two biologically active molecules into one hybrid compound. Since quinolines are considered to be privileged antimalarial building blocks, the synthesis of quinoline-containing antimalarial hybrids has been elaborated extensively in recent years. This review provides a literature overview of antimalarial hybrid molecules containing a quinoline core, covering publications between 2009 and 2014. Copyright © 2014 Elsevier Ltd. All rights reserved.

  4. Binary and ternary systems

    International Nuclear Information System (INIS)

    Petrov, D.A.

    1986-01-01

    Conditions for thermodynamical equilibrium in binary and ternary systems are considered. Main types of binary and ternary system phase diagrams are sequently constructed on the basis of general regularities on the character of transition from one equilibria to others. New statements on equilibrium line direction in the diagram triple points and their isothermal cross sections are developed. New represenations on equilibria in case of monovariant curve minimum and maximum on three-phase equilibrium formation in ternary system are introduced

  5. Synthesis, characteristics and luminescent properties of a new Tb(III) ternary complex applied in near UV-based LED

    Science.gov (United States)

    Sun, Naiqun; Li, Liping; Yang, Yamin; Zhang, Aiqin; Jia, Husheng; Liu, Xuguang; Xu, Bingshe

    2015-11-01

    A novel Tb(III) ternary complex, Tb(p-BBA)3UA, was synthesized with 4-benzoylbenzoic acid (p-BBA) as primary ligand and undecylenic acid (UA) as reactive ligand. Tb(III) complex exhibits high thermal stability and wide and strong excitation bands from 310 nm to 400 nm when monitored at 543 nm, which matches well with the 365 nm UV chip. The complex displays Tb(III) characteristic peaks at 488, 543, 584 and 619 nm under the excitation of 365 nm UV-light. The intramolecular energy transfer process was also discussed. Meanwhile, the complex has longer fluorescence lifetime (1.317 ms) and higher quantum yield (44.8%). When used in LED with 365 nm UV chip (power efficiency is 17.3 lm/W), the complex still maintained its qualified luminescent performance. All the results indicate that Tb(p-BBA)3UA can be applied as a green component for fabrication of near UV-based white LED.

  6. Application of the high-pressure thermoelectric technique for characterization of semiconductor microsamples: PbX-based compounds

    International Nuclear Information System (INIS)

    Ovsyannikov, Sergey V; Shchennikov, Vladimir V; Ponosov, Yuri S; Gudina, Svetlana V; Guk, Vera G; Skipetrov, Eugenii P; Mogilenskikh, Viktor E

    2004-01-01

    In this paper the technique of thermoelectric measurements at high pressure was applied for characterization of semiconductor microsamples based on lead chalcogenide compounds (p-PbSe, n-Pb 1-x Sn x Se). The Raman scattering technique at ambient pressure was used as an alternative tool for testing of the samples. Raman measurements have revealed broad peaks at 135 and 265 cm -1 for PbSe and Pb 1-x Sn x Se. Analogous spectra were obtained for PbS, and PbTe-based ternary compounds at higher and lower frequencies, respectively. The peaks have been attributed to the first- and second-order Raman modes. From resistivity and thermoelectric power data the linear decrease in the pressure of the NaCl → GeS structural phase transition with increasing Sn content has been established and the thermopower of high-pressure GeS phases have been determined. Thermoelectric properties of the samples at high pressure have shown high sensitivity to a small variation in the composition of the ternary Pb 1-x Sn x Se compounds, which makes it possible to distinguish semiconductor microsamples whose compositions are very similar

  7. Efficient ternary organic photovoltaics incorporating a graphene-based porphyrin molecule as a universal electron cascade material

    Science.gov (United States)

    Stylianakis, M. M.; Konios, D.; Kakavelakis, G.; Charalambidis, G.; Stratakis, E.; Coutsolelos, A. G.; Kymakis, E.; Anastasiadis, S. H.

    2015-10-01

    A graphene-based porphyrin molecule (GO-TPP) was synthesized by covalent linkage of graphene oxide (GO) with 5-(4-aminophenyl)-10,15,20-triphenyl porphyrin (TPP-NH2). The yielded graphene-based material is a donor-acceptor (D-A) molecule, exhibiting strong intermolecular interactions between the GO core (A) and the covalently anchored porphyrin molecule (D). To demonstrate the universal role of GO-TPP as an electron cascade material, ternary blend organic photovoltaics based on [6,6]-phenyl-C71-butyric-acid-methyl-ester (PC71BM) as an electron acceptor material and two different polymer donor materials, poly[N-9'-hepta-decanyl-2,7-carbazole-alt-5,5-(40,70-di-2-thienyl-20,10,30-benzothiadiazole)] (PCDTBT) and the highly efficient poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}) (PTB7), were fabricated. The addition of GO-TPP into the active layer implies continuous percolation paths between the D-A interfaces, enhancing charge transport, reducing exciton recombination and thus improving the photovoltaic performance of the device. A simultaneous increase of short circuit current density (Jsc), open-circuit voltage (Voc) and fill factor (FF), compared to the PTB7:PC71BM reference cell, led to an improved power conversion efficiency (PCE) of 8.81% for the PTB7:GO-TPP:PC71BM-based device, owing mainly to the more efficient energy level offset between the active layer components.A graphene-based porphyrin molecule (GO-TPP) was synthesized by covalent linkage of graphene oxide (GO) with 5-(4-aminophenyl)-10,15,20-triphenyl porphyrin (TPP-NH2). The yielded graphene-based material is a donor-acceptor (D-A) molecule, exhibiting strong intermolecular interactions between the GO core (A) and the covalently anchored porphyrin molecule (D). To demonstrate the universal role of GO-TPP as an electron cascade material, ternary blend organic photovoltaics based on [6,6]-phenyl-C71-butyric

  8. Contribution to the Study of the Relation between Microstructure and Electrochemical Behavior of Iron-Based FeCoC Ternary Alloys

    Directory of Open Access Journals (Sweden)

    Farida Benhalla-Haddad

    2012-01-01

    Full Text Available This work deals with the relation between microstructure and electrochemical behavior of four iron-based FeCoC ternary alloys. First, the arc-melted studied alloys were characterized using differential thermal analyses and scanning electron microscopy. The established solidification sequences of these alloys show the presence of two primary crystallization phases (δ(Fe and graphite as well as two univariante lines : peritectic L+(Fe↔(Fe and eutectic L↔(Fe+Cgraphite. The ternary alloys were thereafter studied in nondeaerated solution of 10−3 M NaHCO3 + 10−3 M Na2SO4, at 25°C, by means of the potentiodynamic technique. The results indicate that the corrosion resistance of the FeCoC alloys depends on the carbon amount and the morphology of the phases present in the studied alloys.

  9. Efficient ternary organic photovoltaics incorporating a graphene-based porphyrin molecule as a universal electron cascade material.

    Science.gov (United States)

    Stylianakis, M M; Konios, D; Kakavelakis, G; Charalambidis, G; Stratakis, E; Coutsolelos, A G; Kymakis, E; Anastasiadis, S H

    2015-11-14

    A graphene-based porphyrin molecule (GO-TPP) was synthesized by covalent linkage of graphene oxide (GO) with 5-(4-aminophenyl)-10,15,20-triphenyl porphyrin (TPP-NH2). The yielded graphene-based material is a donor-acceptor (D-A) molecule, exhibiting strong intermolecular interactions between the GO core (A) and the covalently anchored porphyrin molecule (D). To demonstrate the universal role of GO-TPP as an electron cascade material, ternary blend organic photovoltaics based on [6,6]-phenyl-C71-butyric-acid-methyl-ester (PC71BM) as an electron acceptor material and two different polymer donor materials, poly[N-9'-hepta-decanyl-2,7-carbazole-alt-5,5-(40,70-di-2-thienyl-20,10,30-benzothiadiazole)] (PCDTBT) and the highly efficient poly({4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl}{3-fluoro-2-[(2-ethylhexyl)carbonyl]thieno[3,4-b]thiophenediyl}) (PTB7), were fabricated. The addition of GO-TPP into the active layer implies continuous percolation paths between the D-A interfaces, enhancing charge transport, reducing exciton recombination and thus improving the photovoltaic performance of the device. A simultaneous increase of short circuit current density (Jsc), open-circuit voltage (Voc) and fill factor (FF), compared to the PTB7:PC71BM reference cell, led to an improved power conversion efficiency (PCE) of 8.81% for the PTB7:GO-TPP:PC71BM-based device, owing mainly to the more efficient energy level offset between the active layer components.

  10. A New Cerium-Based Ternary Oxide Slurry, CeTi2O6, for Chemical-Mechanical Polishing

    Science.gov (United States)

    Yoshida, Masato; Koyama, Naoyuki; Ashizawa, Toranosuke; Sakata, Yoshihisa; Imamura, Hayao

    2007-03-01

    A new ternary oxide slurry, CeTi2O6 containing Ce4+ ions, was found to be effective as an abrasive in chemical-mechanical polishing (CMP). The ternary oxide was synthesized by the Pechini polymerizable complex (PC) method. X-ray diffraction (XRD) Rietveld analysis indicated that the oxide possesses a single CeTi2O6 phase of a brannerite structure (C2/m, No. 12). When CeTi2O6 was used as an abrasive slurry for polishing thin oxide film, the removal rate was as high as that of ceria (CeO2) slurry.

  11. Liquid-liquid equilibria for ternary mixtures of 1-alkyl-3-methyl imidazolium bis{(trifluoromethyl)sulfonyl}imides, n-hexane and organic compounds at 303.15 K and 0.1 MPa

    International Nuclear Information System (INIS)

    Montalbán, M.G.; Trigo, R.; Collado-González, M.; Díaz-Baños, F.G.; Víllora, G.

    2016-01-01

    Highlights: • LLE data of ternary systems involving an IL were determined at 303.15 K and 0.1 MPa. • The selectivity values decrease with an increase in the alkyl chain length of the cation of the IL. • The solute distribution ratio remains of the same magnitude order for the cations studied. • Experimental data were well correlated with the Non-Random Two-Liquid model. • ILs can be used in selective extraction such as in reactors of supported liquid membranes. - Abstract: Ternary liquid-liquid equilibria were experimentally determined for eight systems composed of an ionic liquid + n-hexane + an organic compound implicated in the racemic resolution of rac-2-pentanol (rac-2-pentanol, vinyl butyrate, rac-2-pentyl butyrate or butyric acid) at a temperature of 303.15 K and pressure of 0.1 MPa. The following ionic liquids were used: 1-ethyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide, [emim + ][NTf 2 − ], and 1-hexyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide, [hmim + ][NTf 2 − ]. The binodal curves and the tie line of the conjugate phases compositions were determined through measurement of the refractive index for the ionic liquid-rich phase and by using gas chromatography for the hexane-rich phase, enabling their potential to be assessed for selective extraction of organic compounds from a mixture of ionic liquid reaction media for the resolution of rac-2-pentanol. Liquid phase activity coefficients were calculated using the Non-Random Two-Liquid equation and the tie line theoretical data calculated from the model are in good agreement with the experimental data. As yet, the literature contains no data for the systems studied in this paper.

  12. All-optical symmetric ternary logic gate

    Science.gov (United States)

    Chattopadhyay, Tanay

    2010-09-01

    Symmetric ternary number (radix=3) has three logical states (1¯, 0, 1). It is very much useful in carry free arithmetical operation. Beside this, the logical operation using this type of number system is also effective in high speed computation and communication in multi-valued logic. In this literature all-optical circuits for three basic symmetrical ternary logical operations (inversion, MIN and MAX) are proposed and described. Numerical simulation verifies the theoretical model. In this present scheme the different ternary logical states are represented by different polarized state of light. Terahertz optical asymmetric demultiplexer (TOAD) based interferometric switch has been used categorically in this manuscript.

  13. Photovoltaic cells based on ternary P3HT:PCBM:polymethine dye active layer transparent in the visible range of light

    Energy Technology Data Exchange (ETDEWEB)

    Bliznyuk, Valery N., E-mail: vblizny@clemson.edu [Department of Materials Science and Engineering, Clemson University, Clemson, SC, 29634 (United States); Gasiorowski, Jacek [Semiconductor Physics, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Ishchenko, Alexander A.; Bulavko, Gennadiy V. [Institute of Organic Chemistry, National Academy of Sciences of Ukraine, 5 Murmanskaya str., Kiev 02660 (Ukraine); Rahaman, Mahfujur [Semiconductor Physics, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Hingerl, Kurt [Center for Interface and Nanoanalytics, Johannes Kepler University, Linz 4040 (Austria); Zahn, Dietrich R.T. [Semiconductor Physics, Technische Universität Chemnitz, D-09107 Chemnitz (Germany); Sariciftci, Niyazi S. [Linz Institute for Organic Solar Cells (LIOS), Physical Chemistry, Johannes Kepler University, Linz 4040 (Austria)

    2016-12-15

    Highlights: • Addition of a polymethine dye to P3HT:PCBM bulk-heterojunction (BHJ) films leads to a compositionally induced transparency in the system. • Variation of the complex refractive index in binary and ternary BHJ films has been studied with spectroscopic ellipsometry. • Power conversion efficiency of ternary BHJ solar cells is determined by the dye composition and photodoping. - Abstract: Optical and photovoltaic properties were studied for ternary photovoltaic cells containing a traditional donor-acceptor bulk-heterojunction (BHJ) active layer modified with polymethine dye molecules in a broad range of compositions and wavelengths. An effect of composition induced optical transparency, due to the strong modification of the density of states, was observed for symmetrical compositions with approximately equal amount of components. Based on our spectroscopic ellipsometry and atomic force microscopy (AFM) studies we can suggest that the variation of the refractive index, which is significantly reduced in the visible range for ternary systems, is involved in the physical mechanism of the phenomenon. Despite of an addition of the IR absorbing component (which allows broadening of the absorption band to up to 800 nm) no improvement in the power conversion efficiency (PCE) is observed in comparison to the binary BHJ system (P3HT:PCBM). Nevertheless, we believe that further advance of the efficiency will be possible if the energy levels will be chemically designed to avoid formation of charge traps at the BHJ interface during light excitation. Such fine adjustment of the system should become possible with a proper choice of polymer:dye composition due to a high versatility of the polymethine dyes demonstrated in previous studies.

  14. Guided crystallization of P3HT in ternary blend solar cell based on P3HT:PCPDTBT:PCBM

    Energy Technology Data Exchange (ETDEWEB)

    Gu, Yu [Department of Polymer Science and Engineering; University of Massachusetts-Amherst; Amherst, USA; Wang, Cheng [Advanced Light Source; Lawrence Berkeley National Laboratory; Berkeley, USA; Liu, Feng [Department of Polymer Science and Engineering; University of Massachusetts-Amherst; Amherst, USA; Chen, Jihua [Center for Nanophase Materials Sciences; Oak Ridge National Laboratory; Oak Ridge, USA; Dyck, Ondrej E. [Department of Materials Science and Engineering; University of Tennessee; Knoxville, USA; Duscher, Gerd [Department of Materials Science and Engineering; University of Tennessee; Knoxville, USA; Russell, Thomas P. [Department of Polymer Science and Engineering; University of Massachusetts-Amherst; Amherst, USA

    2014-01-01

    In ternary blend of P3HT:PCPDTBT:PC61BM, bundles of well-defined P3HT fibrils formed a network in a matrix comprised of a mixture of P3HT, PCPDTBT and PCBM yielding a 27% improvement in device efficiency.

  15. Fe-Cr-V ternary alloy-based ferritic steels for high- and low-temperature applications

    International Nuclear Information System (INIS)

    Rieth, M.; Materna-Morris, E.; Dudarev, S.L.; Boutard, J.-L.; Keppler, H.; Mayor, J.

    2009-01-01

    The phase stability of alloys and steels developed for application in nuclear fission and fusion technology is one of the decisive factors determining the potential range of operating temperatures and radiation conditions that the core elements of a power plant can tolerate. In the case of ferritic and ferritic-martensitic steels, the choice of the chemical composition is dictated by the phase diagram for binary FeCr alloys where in the 0-9% range of Cr composition the alloy remains in the solid solution phase at and below the room temperature. For Cr concentrations exceeding 9% the steels operating at relatively low temperatures are therefore expected to exhibit the formation of α' Cr-rich precipitates. These precipitates form obstacles for the propagation of dislocations, impeding plastic deformation and embrittling the material. This sets the low temperature limit for the use of of high (14% to 20%) Cr steels, which for the 20% Cr steels is at approximately 600 deg. C. On the other hand, steels containing 12% or less Cr cannot be used at temperatures exceeding ∼600 deg. C due to the occurrence of the α-γ transition (912 deg. C in pure iron and 830 deg. C in 7% Cr alloy), which weakens the steel in the high temperature limit. In this study, we investigate the physical properties of a concentrated ternary alloy system that attracted relatively little attention so far. The phase diagram of ternary Fe-Cr-V alloy shows no phase boundaries within a certain broad range of Cr and V concentrations. This makes the alloy sufficiently resistant to corrosion and suggests that steels and dispersion strengthened materials based on this alloy composition may have better strength and stability at high temperatures. Experimental heats were produced on a laboratory scale by arc melting the material components to pellets, then by melting the pellets in an induction furnace and casting the melt into copper moulds. The compositions in weight percent (iron base) are 10Cr5V, 10Cr

  16. Ternary complexes of Zn(II) and Cu(II) with 1-((2-hydroxynaphthalen-1-yl)methylene)-4-phenylthiosemicarbazide in the presence of heterocyclic bases as auxiliary ligands: Synthesis, spectroscopic and structural characterization and antibacterial activity

    Science.gov (United States)

    Azarkish, Mohammad; Akbari, Alireza; Sedaghat, Tahereh; Simpson, Jim

    2018-03-01

    The new ternary complexes, ZnLL‧ [L = 1-((2-hydroxynaphthalen-1-yl)methylene)-4-phenylthiosemicarbazide and L‧ = imidazole (1), 2, 2‧-bipyridine (2) and 2-methyimidazole (3)], Zn2L2L‧ [L‧ = 4, 4‧-bipy (4)] and CuLL‧ [L‧ = 2, 2‧-bipy (5)] have been synthesized by the reaction of a metal(II) acetate salt with the thiosemicarbazone and in presence of heterocyclic bases as auxiliary ligands. The synthesized compounds were investigated by elemental analysis and IR, 1H NMR, and 13C NMR spectroscopy and complex 5 was structurally characterized by X-ray crystallography. The results indicate the thiosemicarbazone doubly deprotonated and coordinates to metal through the thiolate sulfur, imine nitrogen and phenolic oxygen atoms. The nitrogen atom(s) of the auxiliary ligand complete the coordination sphere. Complex 4 is binuclear with 4, 4‧-bipy acting as a bridging ligand. The structure of 5 is a distorted square pyramid with one of the bipyridine nitrogen atoms in the apical position. This compound creates an inversion dimer in solid state by intermolecular hydrogen bonds of Nsbnd H⋯S type. The in vitro antibacterial activity of the synthesized compounds were evaluated against Gram-positive (B. subtilis and S. aureus) and Gram-negative (P. aeruginosa) bacteria and is compared to that of standard antibacterial drugs. All complexes exhibit good inhibitory effects and are significantly more effective than the parent ligand.

  17. Ternary networks reliability and Monte Carlo

    CERN Document Server

    Gertsbakh, Ilya; Vaisman, Radislav

    2014-01-01

    Ternary means “based on three”. This book deals with reliability investigations of  networks whose components subject to failures can be in three states –up, down and middle (mid), contrary to traditionally considered networks  having only binary (up/down) components. Extending binary case to ternary allows to consider more realistic and flexible models for communication, flow and supply networks.

  18. Study on Mg/Al Weld Seam Based on Zn–Mg–Al Ternary Alloy

    Directory of Open Access Journals (Sweden)

    Liming Liu

    2014-02-01

    Full Text Available Based on the idea of alloying welding seams, a series of Zn–xAl filler metals was calculated and designed for joining Mg/Al dissimilar metals by gas tungsten arc (GTA welding. An infrared thermography system was used to measure the temperature of the welding pool during the welding process to investigate the solidification process. It was found that the mechanical properties of the welded joints were improved with the increasing of the Al content in the Zn–xAl filler metals, and when Zn–30Al was used as the filler metal, the ultimate tensile strength could reach a maximum of 120 MPa. The reason for the average tensile strength of the joint increasing was that the weak zone of the joint using Zn–30Al filler metal was generated primarily by α-Al instead of MgZn2. When Zn–40Al was used as the filler metal, a new transition zone, about 20 μm-wide, appeared in the edge of the fusion zone near the Mg base metal. Due to the transition zones consisting of MgZn2- and Al-based solid solution, the mechanical property of the joints was deteriorated.

  19. Correlation between DNA interactions and cytotoxic activity of four new ternary compounds of copper(II) with N-donor heterocyclic ligands.

    Science.gov (United States)

    Silva, Priscila P; Guerra, Wendell; Dos Santos, Geandson Coelho; Fernandes, Nelson G; Silveira, Josiane N; da Costa Ferreira, Ana M; Bortolotto, Tiago; Terenzi, Hernán; Bortoluzzi, Adailton João; Neves, Ademir; Pereira-Maia, Elene C

    2014-03-01

    Four new ternary complexes of copper(II) were synthesized and characterized: [Cu(hyd)(bpy)(acn)(ClO4)](ClO4)] (1), [Cu(hyd)(phen)(acn)(ClO4)](ClO4)] (2), [Cu(Shyd)(bpy)(acn)(ClO4)](ClO4)] (3) and [Cu(Shyd)(phen)(acn)(ClO4)](ClO4)] (4), in which acn=acetonitrile; hyd=2-furoic acid hydrazide, bpy=2,2-bipyridine; phen=1,10-phenanthroline and Shyd=2-thiophenecarboxylic acid hydrazide. The cytotoxic activity of the complexes in a chronic myelogenous leukemia cell line was investigated. All complexes are able to enter cells and inhibit cellular growth in a concentration-dependent manner, with an activity higher than that of the corresponding free ligands. The substitution of Shyd for hyd increases the activity, while the substitution of bpy for phen renders the complex less active. Therefore, the most potent complex is 4 with an IC50 value of 1.5±0.2μM. The intracellular copper concentration needed to inhibit 50% of cell growth is approximately 7×10(-15)mol/cell. It is worth notifying that a correlation between cytotoxic activity, DNA binding affinity and DNA cleavage was found: 1<3<2<4. © 2013.

  20. Ternary rare-earth based alternative gate-dielectrics for future integration in MOSFETs

    Energy Technology Data Exchange (ETDEWEB)

    Schubert, Juergen; Lopes, Joao Marcelo; Durgun Oezben, Eylem; Luptak, Roman; Lenk, Steffi; Zander, Willi; Roeckerath, Martin [IBN 1-IT, Forschungszentrum Juelich, 52425 Juelich (Germany)

    2009-07-01

    The dielectric SiO{sub 2} has been the key to the tremendous improvements in Si-based metal-oxide-semiconductor (MOS) device performance over the past four decades. It has, however, reached its limit in terms of scaling since it exhibits a leakage current density higher than 1 A/cm{sup 2} and does not retain its intrinsic physical properties at thicknesses below 1.5 nm. In order to overcome these problems and keep Moore's law ongoing, the use of higher dielectric constant (k) gate oxides has been suggested. These high-k materials must satisfy numerous requirements such as the high k, low leakage currents, suitable band gap und offsets to silicon. Rare-earth based dielectrics are promising materials which fulfill these needs. We will review the properties of REScO{sub 3} (RE = La, Dy, Gd, Sm, Tb) and LaLuO{sub 3} thin films, grown with pulsed laser deposition, e-gun evaporation or molecular beam deposition, integrated in capacitors and transistors. A k > 20 for the REScO{sub 3} (RE = Dy, Gd) and around 30 for (RE = La, Sm, Tb) and LaLuO{sub 3} are obtained. Transistors prepared on SOI and sSOI show mobility values up to 380 cm{sup 2}/Vs on sSOI, which are comparable to such prepared with HfO{sub 2}.

  1. Dielectric Relaxation of Lanthanide-Based Ternary Oxides: Physical and Mathematical Models

    Directory of Open Access Journals (Sweden)

    Chun Zhao

    2012-01-01

    Full Text Available Cerium-doped hafnium oxides (CexHf1−xO2 and lanthanum-doped zirconium oxides (LaxZr1−xO2 were investigated. The highest dielectric constants, k, were obtained from lightly doped oxides with an La content of x=0.09 and a Ce content of x=0.1, for which k-values of 33~40 were obtained. The dielectric relaxation appears to be related to the size of crystal grains formed during annealing, which was dependent on the doping level. The physical and mathematical models were used to analyze the relationship between k-values and frequencies. The variations in the k-values up to megahertz frequencies for both CexHf1−xO2 and LaxZr1−xO2 are simulated based on the Curie-von Schweidler (CS or Havriliak-Negami (HN relationships. Concerning the lightly doped CexHf1−xO2 and LaxZr1−xO2, the data extracted are best modeled by the HN law, while LaxZr1−xO2 with doping level from x=0.22 to 0.63 are best modelled based on the CS law.

  2. Neutronics Evaluation of Lithium-Based Ternary Alloys in IFE Blankets

    Energy Technology Data Exchange (ETDEWEB)

    Jolodosky, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Fratoni, M. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-11-20

    Pre-conceptual fusion blanket designs require research and development to reflect important proposed changes in the design of essential systems, and the new challenges they impose on related fuel cycle systems. One attractive feature of using liquid lithium as the breeder and coolant is that it has very high tritium solubility and results in very low levels of tritium permeation throughout the facility infrastructure. However, lithium metal vigorously reacts with air and water and presents plant safety concerns. If the chemical reactivity of lithium could be overcome, the result would have a profound impact on fusion energy and associated safety basis. The overriding goal of this project is to develop a lithium-based alloy that maintains beneficial properties of lithium (e.g. high tritium breeding and solubility) while reducing overall flammability concerns. To minimize the number of alloy combinations that must be explored, only those alloys that meet certain nuclear performance metrics will be considered for subsequent thermodynamic study. The specific scope of this study is to evaluate the neutronics performance of lithium-based alloys in the blanket of an inertial confinement fusion (ICF) engine. The results of this study will inform the development of lithium alloys that would guarantee acceptable neutronics performance while mitigating the chemical reactivity issues of pure lithium.

  3. Ternary and quaternary nanocomposites based on polystyrene, SBS, organically modified clay and silicone-polyether

    International Nuclear Information System (INIS)

    Kaneko, Manuela L.Q.A.; Lourenco, Emerson; Paiva, Raphael E.F.; Felisberti, Maria I.; Yoshida, Inez V.P.

    2009-01-01

    This work aims the study of toughened nanocomposites based on polystyrene (PS), poly(styrene-b-butadiene-b-styrene) (SBS), organically modified clay (C20A) and silicone-polyether, PDMS-POE. The intercalation of the copolymer PDMS-POE into the clay galleries increased the interlamellar distance, improving the exfoliation of the clay during the extrusion process of the materials. C20A/PDMS-POE nanocomposite, MC20A, was prepared by mechanical mixture using 1:1 wt% ratio. MC20A was incorporated into PS and PS/SBS blends using an extruder. The materials were characterized by X-ray diffraction and stress-strain mechanical tests. MC20A/PS/SBS, prepared by extrusion, showed an increase in the interlamellar distance, suggesting the intercalation of PS or SBS into the clay galleries. The PDMSPOE acted as a 'plasticizer' for PS and PS/SBS blend. However, this effect was not reverted by the clay addition. On the contrary, the 'plasticizer' effect was intensified by the clay maybe due to the slip characteristics of PDMS-POE associated with the lamella orientation. (author)

  4. Simulation analysis and ternary diagram of municipal solid waste pyrolysis and gasification based on the equilibrium model.

    Science.gov (United States)

    Deng, Na; Zhang, Awen; Zhang, Qiang; He, Guansong; Cui, Wenqian; Chen, Guanyi; Song, Chengcai

    2017-07-01

    A self-sustained municipal solid waste (MSW) pyrolysis-gasification process with self-produced syngas as heat source was proposed and an equilibrium model was established to predict the syngas reuse rate considering variable MSW components. Simulation results indicated that for constant moisture (ash) content, with the increase of ash (moisture) content, syngas reuse rate gradually increased, and reached the maximum 100% when ash (moisture) content was 73.9% (60.4%). Novel ternary diagrams with moisture, ash and combustible as axes were proposed to predict the adaptability of the self-sustained process and syngas reuse rate for waste. For wastes of given components, its position in the ternary diagram can be determined and the syngas reuse rate can be obtained, which will provide guidance for system design. Assuming that the MSW was composed of 100% combustible content, ternary diagram shows that there was a minimum limiting value of 43.8% for the syngas reuse rate in the process. Copyright © 2017. Published by Elsevier Ltd.

  5. Feature learning and change feature classification based on deep learning for ternary change detection in SAR images

    Science.gov (United States)

    Gong, Maoguo; Yang, Hailun; Zhang, Puzhao

    2017-07-01

    Ternary change detection aims to detect changes and group the changes into positive change and negative change. It is of great significance in the joint interpretation of spatial-temporal synthetic aperture radar images. In this study, sparse autoencoder, convolutional neural networks (CNN) and unsupervised clustering are combined to solve ternary change detection problem without any supervison. Firstly, sparse autoencoder is used to transform log-ratio difference image into a suitable feature space for extracting key changes and suppressing outliers and noise. And then the learned features are clustered into three classes, which are taken as the pseudo labels for training a CNN model as change feature classifier. The reliable training samples for CNN are selected from the feature maps learned by sparse autoencoder with certain selection rules. Having training samples and the corresponding pseudo labels, the CNN model can be trained by using back propagation with stochastic gradient descent. During its training procedure, CNN is driven to learn the concept of change, and more powerful model is established to distinguish different types of changes. Unlike the traditional methods, the proposed framework integrates the merits of sparse autoencoder and CNN to learn more robust difference representations and the concept of change for ternary change detection. Experimental results on real datasets validate the effectiveness and superiority of the proposed framework.

  6. Influence of Element Substitution on Corrosion Behavior of Bi2Te3-Based Compounds

    Science.gov (United States)

    Kohri, Hitoshi; Yagasaki, Takayoshi

    2018-02-01

    Atmospheric water may condense on the surface of Bi2Te3-based compounds constituting the Peltier module, depending on the operating environment used. In the stage of disposal, Bi2Te3-based compounds may come into contact with water in waste disposal sites. There are very few publications about the influence of condensed water on Peltier modules. Bi2Te3-Sb2Te3 or Bi2Te3-Bi2Se3 pseudo binary system compounds are used as p-type material or n-type material, respectively. The lattice distortion will be induced in the crystal of Bi2Te3-based compounds by element substitution due to the reduction in their thermal conductivity. However, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds remains unclear. In this study, the influence of element substitution on the corrosion behavior of Bi2Te3-based compounds with practical compositions has been investigated. Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 was prepared by the vertical Bridgman method. The electrochemical properties at room temperature were evaluated by cyclic voltammetry in a standard three-electrode cell. The working electrolyte was a naturally aerated 0.6 or 3.0 mass% NaCl solution. From the tendency for corrosion potential for all the samples, the corrosion sensitivity of ternary compounds was slightly higher than that of binary compounds. From the trend of current density, it was found that Bi0.5Sb1.5Te3 had a corrosion resistance intermediate between Bi2Te3 and Sb2Te3. On the other hand, corrosion resistance was affected despite a small amount of Se substitution, and the corrosion resistance of Bi2Te2.85Se0.15 was close to or lower than that of Bi2Se3. From the observation results of the corrosion products, the trends of morphology and composition of corrosion products for Bi0.5Sb1.5Te3 or Bi2Te2.85Se0.15 were consistent with those of Sb2Te3 or Bi2Se3, respectively. From the results of x-ray photoelectron spectroscopy for the electrolyte after testing, the possibility that a

  7. Microstructural and mechanical characterization of Nb-based in situ composites from Nb-Si-Ti ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Li, Z. [Department of Mechanics and Mechanical Engineering, CAS Key Laboratory for Mechanical Behavior and Design of Materials, School of Engineering Science, University of Science and Technology of China, Hefei 230026, Anhui (China); Peng, L.M. [Department of Mechanics and Mechanical Engineering, CAS Key Laboratory for Mechanical Behavior and Design of Materials, School of Engineering Science, University of Science and Technology of China, Hefei 230026, Anhui (China)], E-mail: penglm@ustc.edu.cn

    2007-11-15

    This study deals with the Nb-niobium silicide-based composites developed by the hot-pressing of Nb-Si-Ti ternary powder mixtures with a fixed Ti addition (6 at.%) and Si content ranging from hypereutectic (11 at.%) to near-eutectic compositions (18 at.%). The effects of Si content, Ti addition and strain rates on the sample microstructural characterization, flexural strength, fracture toughness, quasi-static compressive deformation and failure processes were investigated. It was revealed that the volume fraction of silicides increased with increasing Si content, and most of the Ti atoms dissolved into the niobium silicides to form (Nb,Ti){sub 5}Si{sub 3} solid solutions instead of binary titanium silicides. The experimental evidence showed that a moderate improvement in the flexural strength, fracture toughness and compressive yield stress of the composites was achieved by the addition of Ti. Higher Si additions produced a much more remarkable enhancement in the compressive yield stress and bulk hardness, whereas both the flexural strength and fracture toughness decreased with increasing Si content owing to the existence of residual porosities in the samples. The composites showed remarkable superiority to the arc-melted Nb-Si alloys and monolithic niobium silicides in fracture toughness (8.3-13.0MPa{radical}(m) vs. 4.5MPa{radical}(m)), where the toughening effect was attributed mainly to crack bridging and crack deflection by the remaining ductile Nb phase. Moreover, quasi-static uniaxial compression tests at strain rates between 10{sup -5} and 10{sup -3} s{sup -1} indicated that the deformation behavior and failure processes were significantly affected by Si content and strain rates. The strain-rate-hardening behavior for all the strain rates was observed in the composite materials and the strain-rate sensitivity decreased with increasing Si content. At a lower strain rate, the composite materials with a hypoeutectic Si composition failed with a pseudoplastic

  8. Experimental investigation of phase equilibria in the Zr-Cu-Ni ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Mujin; Wang, Cuiping; Yang, Shuiyuan; Shi, Zhan; Han, Jiajia; Liu, Xingjun [Xiamen Univ. (China). College of Materials and Fujian Provincial Key Lab. of Materials Genome

    2017-08-15

    The phase equilibria in the Zr-Cu-Ni ternary system are investigated combined with X-ray diffraction, electron probe micro-analysis and differential scanning calorimetry. Two isothermal sections of the Zr-Cu-Ni ternary system at 1 000 C and 1 100 C are experimentally established. Most of the binary intermetallic compounds, e.g. Zr{sub 7}Ni{sub 10}, ZrNi, ZrNi{sub 5}, Zr{sub 14}Cu{sub 51}, and Zr{sub 2}Cu{sub 9}, show a remarkable ternary solubility. A new ternary compound named τ{sub 3} (Zr{sub 31.1-30.7} . Cu{sub 28.5-40.3}Ni{sub 40.4-29.0}) is detected at 1 000 C and dissolved at 1 020 C because the nearby large liquid phase field further expands. The newly determined phase equilibria will provide important information for both thermodynamic assessment and alloy design of Zr-based metallic glass.

  9. Quinoline-Based Hybrid Compounds with Antimalarial Activity

    Directory of Open Access Journals (Sweden)

    Xhamla Nqoro

    2017-12-01

    Full Text Available The application of quinoline-based compounds for the treatment of malaria infections is hampered by drug resistance. Drug resistance has led to the combination of quinolines with other classes of antimalarials resulting in enhanced therapeutic outcomes. However, the combination of antimalarials is limited by drug-drug interactions. In order to overcome the aforementioned factors, several researchers have reported hybrid compounds prepared by reacting quinoline-based compounds with other compounds via selected functionalities. This review will focus on the currently reported quinoline-based hybrid compounds and their preclinical studies.

  10. Design of ternary clocked adiabatic static random access memory

    Science.gov (United States)

    Pengjun, Wang; Fengna, Mei

    2011-10-01

    Based on multi-valued logic, adiabatic circuits and the structure of ternary static random access memory (SRAM), a design scheme of a novel ternary clocked adiabatic SRAM is presented. The scheme adopts bootstrapped NMOS transistors, and an address decoder, a storage cell and a sense amplifier are charged and discharged in the adiabatic way, so the charges stored in the large switch capacitance of word lines, bit lines and the address decoder can be effectively restored to achieve energy recovery during reading and writing of ternary signals. The PSPICE simulation results indicate that the ternary clocked adiabatic SRAM has a correct logic function and low power consumption. Compared with ternary conventional SRAM, the average power consumption of the ternary adiabatic SRAM saves up to 68% in the same conditions.

  11. Design of ternary clocked adiabatic static random access memory

    International Nuclear Information System (INIS)

    Wang Pengjun; Mei Fengna

    2011-01-01

    Based on multi-valued logic, adiabatic circuits and the structure of ternary static random access memory (SRAM), a design scheme of a novel ternary clocked adiabatic SRAM is presented. The scheme adopts bootstrapped NMOS transistors, and an address decoder, a storage cell and a sense amplifier are charged and discharged in the adiabatic way, so the charges stored in the large switch capacitance of word lines, bit lines and the address decoder can be effectively restored to achieve energy recovery during reading and writing of ternary signals. The PSPICE simulation results indicate that the ternary clocked adiabatic SRAM has a correct logic function and low power consumption. Compared with ternary conventional SRAM, the average power consumption of the ternary adiabatic SRAM saves up to 68% in the same conditions. (semiconductor integrated circuits)

  12. Sc-W-Si and Sc-W-Ge ternary systems

    International Nuclear Information System (INIS)

    Kotur, B.Ya.; Voznyak, O.M.; Bodak, O.I.

    1989-01-01

    Phase equilibria in Sc-W-Si and Sc-W-Ge ternary systems are investigated at 1070 K. Sc 2+x W 3-x Si 4 ternary compound (0≤x≤1) is determined, its crystal structure (Ce 2 Sc 3 Si 4 structural type), as well as, change of elementary cell parameters and microhardness within homogeneity range are determined. Regularities of component interaction within Sc-M-Si(Ge) (M-Cr, Mo, W) ternary system are determined. Ternary systems with Mo and W are more closer to each other according to the phase equilibria character, than to ternary systems with Cr

  13. Boosting the Visible-Light Photoactivity of BiOCl/BiVO4/N-GQD Ternary Heterojunctions Based on Internal Z-Scheme Charge Transfer of N-GQDs: Simultaneous Band Gap Narrowing and Carrier Lifetime Prolonging.

    Science.gov (United States)

    Zhu, Mingyue; Liu, Qian; Chen, Wei; Yin, Yuanyuan; Ge, Lan; Li, Henan; Wang, Kun

    2017-11-08

    The efficient separation of photogenerated electron-hole pairs in photoactive materials is highly desired, allowing their transfer to specific sites for undergoing redox reaction in various applications. The construction of ternary heterojunctions is a practical strategy to enhance the migration of photogenerated electron that realizes the synergistic effect of multicomponents rather than the simple overlay of single component. Here, we demonstrate an available way to fabricate new BiOCl/BiVO 4 /nitrogen-doped graphene quantum dot (N-GQD) ternary heterojunctions that exhibit higher efficiency in charge separation than any binary heterojunction or pure material under visible-light irradiation. UV-vis diffuse reflectance spectroscopy demonstrated that the proposed BiOCl/BiVO 4 /N-GQD ternary heterojunctions possess the narrower band gap energy. More importantly, the ternary heterojunctions reveal the prolonged lifetime of photogenerated charges and enhanced the separation efficiency of photogenerated electron-hole pairs, which may be ascribed to sensitization based on an internal Z-scheme charge transfer at the interface of N-GQDs with oxygen functional groups. Furthermore, we examine the photoactive performance of proposed ternary heterojunctions in aqueous solution by using the photodegradation of bisphenol A as a model system and BiOCl/BiVO 4 /N-GQD ternary heterojunctions also display a dramatically enhanced photodegradation rate. The proposed charge separation and transfer process of BiOCl/BiVO 4 /N-GQD ternary heterojunctions for the enhanced photoactivity were deduced by electrochemical measurements, photoluminescence, and electron spin resonance. The results demonstrate that a Z-scheme charge process was formed between BiOCl/BiVO 4 binary heterojunctions and N-GQDs, leading to an efficient charge carrier separation and strong photocatalytic ability. Notably, this work may assist in a better understanding of the role of N-GQDs in kinds of heterojunctions

  14. Synthesis and single-crystal structure of the pseudo-ternary compounds LiA[N(CN){sub 2}]{sub 2} (A = K or Rb)

    Energy Technology Data Exchange (ETDEWEB)

    Reckeweg, Olaf; DiSalvo, Francis J. [Cornell Univ., Ithaca, NY (United States). Baker Lab.

    2016-04-01

    Crystals of LiA[N(CN){sub 2}]{sub 2} were obtained from the reaction of LiCl and ACl (A = K or Rb) with Ag[N(CN){sub 2}] in water and subsequent evaporation of the filtered solution at 80 C under normal atmospheric conditions. Crystals of the title compound form thin rectangular plates that are transparent, colorless, and very fragile. Single-crystal structure analyses have shown that both compounds are isotypic and adopt the tetragonal space group I4/mcm (no. 140, Z = 4) with the cell parameters a = 701.53(12) and c = 1413.7(5) pm for LiK[N(CN){sub 2}]{sub 2} and a = 730.34(10) and c = 1414.4(4) pm for LiRb[N(CN){sub 2}]{sub 2}. The crystal structure is described and compared to that of the pseudo-binary alkali metal dicyanamides.

  15. Binary and Ternary Catalytic Systems for Olefin Metathesis Based on MoCl5/SiO2

    Science.gov (United States)

    Bykov, Victor I.; Belyaev, Boris A.; Butenko, Tamara A.; Finkelshtein, Eugene Sh.

    Kinetics of α-olefin metathesis in the presence of binary (MoCl5/ SiO2-Me4Sn) and ternary catalytic systems (MoCl5/SiO2-Me4Sn-ECl4, E = Si or Ge) was studied. Specifically, kinetics and reactivity of 1-decene, 1-octene, and 1-hexene in the metathesis reaction at 27°C and 50°C in the presence of MoCl5/ SiO2-SnMe4 were examined and evaluated in detail. It was shown that experimental data comply well with the simple kinetic equation for the rate of formation of symmetrical olefins with allowance for the reverse reaction and catalyst deactivation: r = left( {k_1 \\cdot c_α - k_{ - 1} \\cdot c_s } right) \\cdot e^{ - k_d \\cdot tilde n_{tot} } . The coefficients for this equation were determined, and it was shown that these α-olefins had practically the same reactivity. It was found that reactivation in the course of metathesis took place due to the addition of a third component (silicon tetrachloride or germanium tetrachloride in combination with tetramethyltin) to a partially deactivated catalyst. The number of active centers was determined (5-6% of the amount of Mo) and the mechanisms of formation, deactivation, and reactivation were proposed for the binary and ternary catalytic systems. The role of individual components of the catalytic systems was revealed.

  16. Phase equilibria in the ternary In-Ni-Sn system at 700 °C.

    Science.gov (United States)

    Schmetterer, C; Zemanova, A; Flandorfer, H; Kroupa, A; Ipser, H

    2013-04-01

    The phase equilibria of the ternary system In-Ni-Sn were investigated experimentally at 700 °C using X-ray diffraction (XRD) and scanning electron microscopy (SEM) including electron micro probe analysis (EMPA) and energy dispersive X-ray spectroscopy (EDX). A corresponding isothermal section was established based on these results. This particular temperature was chosen because it allowed obtaining reliable results within reasonable time. The existence of the ternary phase InNi 6 Sn 5 was confirmed whereas the ternary compound In 2 NiSn, reported earlier in literature, was found to be part of a large solid solution field based on binary InNi. The ternary solubility of the binary phases was established, and continuous solid solutions were found between the isostructural phases Ni 3 Sn LT and InNi 3 as well as between Ni 3 Sn 2 HT and InNi 2 . In addition, this isothermal section could be well reproduced by CALPHAD modelling. The resulting calculated isotherm at 700 °C is presented, too, and compared with the experimental results.

  17. Electronic and phononic origins of martensitic behavior in nickel titanium-based binary and ternary shape memory alloys

    Science.gov (United States)

    Hatcher, Nicholas B.

    Due to the importance of NiTi as a shape memory material and the uncertainty regarding its atomisitic martensitic transformation path, a thorough investigation to understand the structural stability governing this displacive phase transformation is warranted. We investigate elastic and shear stabilities of NiTi binary and ternary (with additions of Pd and Pt) alloys using first-principles calculations with the highly-precise full-potential linearized augmented plane wave (FLAPW) method. Ambiguities of the B2, R, B19, B19', and proposed B33 structures are resolved, and the phase stability of each structure is established by examining calculated formation energies. All single crystal elastic constants, Young's, bulk, and shear moduli, Poisson's ratio, and the Zener anisotropy of the B2, R, B19, B19', and B33 phases are calculated and presented. To investigate the susceptibility to shearing, generalized stacking fault energetics and cleavage energies are calculated for the {001}, {011}, and {111} slip planes of the B2 phase. Burgers vectors and shear resistance are established. By investigating various deformation mechanisms related to these stacking faults, we find an instability to h100i{011} slip in the B2 phase. Using this and reviewing previously proposed atomistic transformation paths, the mechanisms governing the direct martensitic transformation of NiTi between the austenite and the martensite are identified. Barrierless transformation paths from the B2 phase to the B19' phase and from the B2 phase to the B33 phase are proposed, and the ternary transformation path is investigated. Differences between binary and ternary alloys, which are known to raise transformation temperatures, are illustrated. To provide a theoretical foundation for this diffusionless structural phase transformation, we illustrate the changes in electronic structures which explain its martensitic behavior. Electronic structure evolution is illustrated throughout the proposed atomistic

  18. A study of phase separation in ternary alloys

    Indian Academy of Sciences (India)

    Unknown

    Department of Metallurgy, Indian Institute of Science, Bangalore 560 012, India. Abstract. We have studied the evolution of microstructure when a disordered ternary alloy is quenched into a ternary miscibility gap. We have used computer simulations based on multicomponent Cahn–Hilliard (CH) equations for cA and cB, the ...

  19. No-reference stereoscopic image quality measurement based on generalized local ternary patterns of binocular energy response

    Science.gov (United States)

    Zhou, Wujie; Yu, Lu

    2015-09-01

    Perceptual no-reference (NR) quality measurement of stereoscopic images has become a challenging issue in three-dimensional (3D) imaging fields. In this article, we propose an efficient binocular quality-aware features extraction scheme, namely generalized local ternary patterns (GLTP) of binocular energy response, for general-purpose NR stereoscopic image quality measurement (SIQM). More specifically, we first construct the binocular energy response of a distorted stereoscopic image with different stimuli of amplitude and phase shifts. Then, the binocular quality-aware features are generated from the GLTP of the binocular energy response. Finally, these features are mapped to the subjective quality score of the distorted stereoscopic image by using support vector regression. Experiments on two publicly available 3D databases confirm the effectiveness of the proposed metric compared with the state-of-the-art full reference and NR metrics.

  20. No-reference stereoscopic image quality measurement based on generalized local ternary patterns of binocular energy response

    International Nuclear Information System (INIS)

    Zhou, Wujie; Yu, Lu

    2015-01-01

    Perceptual no-reference (NR) quality measurement of stereoscopic images has become a challenging issue in three-dimensional (3D) imaging fields. In this article, we propose an efficient binocular quality-aware features extraction scheme, namely generalized local ternary patterns (GLTP) of binocular energy response, for general-purpose NR stereoscopic image quality measurement (SIQM). More specifically, we first construct the binocular energy response of a distorted stereoscopic image with different stimuli of amplitude and phase shifts. Then, the binocular quality-aware features are generated from the GLTP of the binocular energy response. Finally, these features are mapped to the subjective quality score of the distorted stereoscopic image by using support vector regression. Experiments on two publicly available 3D databases confirm the effectiveness of the proposed metric compared with the state-of-the-art full reference and NR metrics. (paper)

  1. Microstructural and Electronic Origins of Open-Circuit Voltage Tuning in Organic Solar Cells Based on Ternary Blends

    KAUST Repository

    Mollinger, Sonya A.

    2015-09-22

    © 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim. Organic ternary heterojunction photovoltaic blends are sometimes observed to undergo a gradual evolution in open-circuit voltage (Voc) with increasing amounts of a second donor or an acceptor. The Voc is strongly correlated with the energy of the charge transfer state in the blend, but this value depends on both local and mesoscopic orders. In this work, the behavior of Voc in the presence of a wide range of interfacial electronic states is investigated. The key charge transfer state interfaces responsible for Voc in several model systems with varying morphology are identified. Systems consisting of one donor with two fullerene molecules and of one acceptor with a donor polymer of varying regio-regularity are used. The effects from the changing energetic disorder in the material and from the variation due to a law of simple mixtures are quantified. It has been found that populating the higher-energy charge transfer states is not responsible for the observed change in Voc upon the addition of a third component. Aggregating polymers and miscible fullerenes are compared, and it has been concluded that in both cases charge delocalization, aggregation, and local polarization effects shift the lowest-energy charge transfer state distribution. The open-circuit voltage evolution and charge transfer state interfaces in ternary organic photovoltaic blends are investigated using several model systems. The changes in subgap spectra from energetic disorder and increased population of higher energy states are analyzed and the lowest charge transfer state distribution is observed to shift due to local aggregation and delocalization effects.

  2. Room Temperature Hard Radiation Detectors Based on Solid State Compound Semiconductors: An Overview

    Science.gov (United States)

    Mirzaei, Ali; Huh, Jeung-Soo; Kim, Sang Sub; Kim, Hyoun Woo

    2018-03-01

    Si and Ge single crystals are the most common semiconductor radiation detectors. However, they need to work at cryogenic temperatures to decrease their noise levels. In contrast, compound semiconductors can be operated at room temperature due to their ability to grow compound materials with tunable densities, band gaps and atomic numbers. Highly efficient room temperature hard radiation detectors can be utilized in biomedical diagnostics, nuclear safety and homeland security applications. In this review, we discuss room temperature compound semiconductors. Since the field of radiation detection is broad and a discussion of all compound materials for radiation sensing is impossible, we discuss the most important materials for the detection of hard radiation with a focus on binary heavy metal semiconductors and ternary and quaternary chalcogenide compounds.

  3. Self-triggered coordination with ternary controllers

    NARCIS (Netherlands)

    De Persis, Claudio; Frasca, Paolo

    2012-01-01

    This paper regards coordination of networked systems with ternary controllers. We develop a hybrid coordination system which implements a self-triggered communication policy, based on polling the neighbors upon need. We prove that the proposed scheme ensures finite-time convergence to a neighborhood

  4. True ternary fission of 252Cf

    International Nuclear Information System (INIS)

    Vijayaraghavan, K.R.; Balasubramaniam, M.; Oertzen, W. von

    2014-01-01

    Splitting of heavy radioactive nucleus into three fragments is known as ternary fission. If the size of the fragments are almost equal it is referred to as true ternary fission. Recently, Yu. V. Pyatkov et al observed/reported the experimental observation of true ternary fission in 252 Cf. In this work, the possibilities of different true ternary fission modes of 252 Cf through potential energy surface (PES) calculations based on three cluster model (TCM) are discussed. In TCM a condition on the mass numbers of the fission fragments is implied as A 1 ≥ A 2 ≥ A 3 in order to avoid repetition of combinations. Due to this condition, the values of Z 3 vary from 0 to 36 and Z 2 vary from 16 to 51. Of the different pairs having similar (Z 2 , Z 3 ) with different potential energy, a pair possessing minimum potential energy is chosen. Thus identified favourable combinations are plotted. For the PES calculations the arrangement of the fragments is considered in the order of A 1 +A 2 +A 3 . i.e. the heavy and the lightest fragments are kept at the ends. It is seen that the deepest minimum in the PES occurs for Z 3 =2 labelled as (Z 2 ; 2) indicating He accompanied breakup as the most favourable one. Of which, the breakup with Z 2 around 46 to 48 is the least (shown by dashed (Z 1 = 50) and dotted (Z 1 = 52) lines indicating a constant Z 1 value). The other notable minima in the PES are labelled and they correspond to the (Z 2 , Z 3 ) pairs viz., (20, 20), (28, 20), (28, 28) and (32, 32). Of these four minima, the first three are associated with the magic numbers 20 and 28. For Z 3 =20, there are two minimums at (20,20) and (28,20) among them (28,20) is the lowest minimum through which the minimum-path passes, and it is the ternary decay observed by Yu. V. Pyatkov et al. The fourth minima is the most interesting due to the fact that it corresponds to true ternary fission mode with Z 2 =32, Z 3 =32 and Z 1 =34. The minimum potential energy path also goes through this true

  5. The volatile compound BinBase mass spectral database.

    Science.gov (United States)

    Skogerson, Kirsten; Wohlgemuth, Gert; Barupal, Dinesh K; Fiehn, Oliver

    2011-08-04

    Volatile compounds comprise diverse chemical groups with wide-ranging sources and functions. These compounds originate from major pathways of secondary metabolism in many organisms and play essential roles in chemical ecology in both plant and animal kingdoms. In past decades, sampling methods and instrumentation for the analysis of complex volatile mixtures have improved; however, design and implementation of database tools to process and store the complex datasets have lagged behind. The volatile compound BinBase (vocBinBase) is an automated peak annotation and database system developed for the analysis of GC-TOF-MS data derived from complex volatile mixtures. The vocBinBase DB is an extension of the previously reported metabolite BinBase software developed to track and identify derivatized metabolites. The BinBase algorithm uses deconvoluted spectra and peak metadata (retention index, unique ion, spectral similarity, peak signal-to-noise ratio, and peak purity) from the Leco ChromaTOF software, and annotates peaks using a multi-tiered filtering system with stringent thresholds. The vocBinBase algorithm assigns the identity of compounds existing in the database. Volatile compound assignments are supported by the Adams mass spectral-retention index library, which contains over 2,000 plant-derived volatile compounds. Novel molecules that are not found within vocBinBase are automatically added using strict mass spectral and experimental criteria. Users obtain fully annotated data sheets with quantitative information for all volatile compounds for studies that may consist of thousands of chromatograms. The vocBinBase database may also be queried across different studies, comprising currently 1,537 unique mass spectra generated from 1.7 million deconvoluted mass spectra of 3,435 samples (18 species). Mass spectra with retention indices and volatile profiles are available as free download under the CC-BY agreement (http://vocbinbase.fiehnlab.ucdavis.edu). The BinBase

  6. The volatile compound BinBase mass spectral database

    Directory of Open Access Journals (Sweden)

    Barupal Dinesh K

    2011-08-01

    Full Text Available Abstract Background Volatile compounds comprise diverse chemical groups with wide-ranging sources and functions. These compounds originate from major pathways of secondary metabolism in many organisms and play essential roles in chemical ecology in both plant and animal kingdoms. In past decades, sampling methods and instrumentation for the analysis of complex volatile mixtures have improved; however, design and implementation of database tools to process and store the complex datasets have lagged behind. Description The volatile compound BinBase (vocBinBase is an automated peak annotation and database system developed for the analysis of GC-TOF-MS data derived from complex volatile mixtures. The vocBinBase DB is an extension of the previously reported metabolite BinBase software developed to track and identify derivatized metabolites. The BinBase algorithm uses deconvoluted spectra and peak metadata (retention index, unique ion, spectral similarity, peak signal-to-noise ratio, and peak purity from the Leco ChromaTOF software, and annotates peaks using a multi-tiered filtering system with stringent thresholds. The vocBinBase algorithm assigns the identity of compounds existing in the database. Volatile compound assignments are supported by the Adams mass spectral-retention index library, which contains over 2,000 plant-derived volatile compounds. Novel molecules that are not found within vocBinBase are automatically added using strict mass spectral and experimental criteria. Users obtain fully annotated data sheets with quantitative information for all volatile compounds for studies that may consist of thousands of chromatograms. The vocBinBase database may also be queried across different studies, comprising currently 1,537 unique mass spectra generated from 1.7 million deconvoluted mass spectra of 3,435 samples (18 species. Mass spectra with retention indices and volatile profiles are available as free download under the CC-BY agreement (http

  7. Preparation and photoluminescence enhancement in terbium(III ternary complexes with β-diketone and monodentate auxiliary ligands

    Directory of Open Access Journals (Sweden)

    Devender Singh

    2016-12-01

    Full Text Available A series of new solid ternary complexes of terbium(III ion based on β-diketone ligand acetylacetone (acac and monodentate auxiliary ligands (aqua/urea/triphenylphosphineoxide/pyridine-N-oxide had been prepared. The structural characterizations of synthesized ternary compounds were studied by means of elemental analysis, infrared (IR, and proton nuclear magnetic resonance (NMR spectral techniques. The optical characteristics were investigated with absorption as well as photoluminescence spectroscopy. Thermal behavior of compounds was examined by TGA/DTA analysis and all metal complexes were found to have good thermal stability. The luminescence decay time of complexes were also calculated by monitoring at emission wavelength corresponding to 5D4 → 7F5 transition. A comparative inspection of the luminescent behavior of prepared ternary compounds was performed in order to determine the function of auxiliary ligands in the enhancement of luminescence intensity produced by central terbium(III ion. The color coordinates values suggested that compounds showed bright green emission in visible region in electromagnetic spectrum. Complexes producing green light could play a significant role in the fabrication of efficient light conversion molecular devices for display purposes and lightning systems.

  8. Synergy Maps: exploring compound combinations using network-based visualization.

    Science.gov (United States)

    Lewis, Richard; Guha, Rajarshi; Korcsmaros, Tamás; Bender, Andreas

    2015-01-01

    The phenomenon of super-additivity of biological response to compounds applied jointly, termed synergy, has the potential to provide many therapeutic benefits. Therefore, high throughput screening of compound combinations has recently received a great deal of attention. Large compound libraries and the feasibility of all-pairs screening can easily generate large, information-rich datasets. Previously, these datasets have been visualized using either a heat-map or a network approach-however these visualizations only partially represent the information encoded in the dataset. A new visualization technique for pairwise combination screening data, termed "Synergy Maps", is presented. In a Synergy Map, information about the synergistic interactions of compounds is integrated with information about their properties (chemical structure, physicochemical properties, bioactivity profiles) to produce a single visualization. As a result the relationships between compound and combination properties may be investigated simultaneously, and thus may afford insight into the synergy observed in the screen. An interactive web app implementation, available at http://richlewis42.github.io/synergy-maps, has been developed for public use, which may find use in navigating and filtering larger scale combination datasets. This tool is applied to a recent all-pairs dataset of anti-malarials, tested against Plasmodium falciparum, and a preliminary analysis is given as an example, illustrating the disproportionate synergism of histone deacetylase inhibitors previously described in literature, as well as suggesting new hypotheses for future investigation. Synergy Maps improve the state of the art in compound combination visualization, by simultaneously representing individual compound properties and their interactions. The web-based tool allows straightforward exploration of combination data, and easier identification of correlations between compound properties and interactions.

  9. Real-time analysis of cleavage and religation activity of human topoisomerase 1 based on ternary fluorescence resonance energy transfer DNA substrate.

    Science.gov (United States)

    Wang, Zhenxing; Ouyang, Hui; Tesauro, Cinzia; Ottaviani, Alessio; He, Yong; Fiorani, Paola; Xie, Hui; Desideri, Alessandro; Fu, Zhifeng

    2018-02-16

    Human topoisomerase 1B is a ubiquitous and essential enzyme involved in relaxing the topological state of supercoiled DNA to allow the progression of fundamental DNA metabolism. Its enzymatic catalytic cycle consists of cleavage and religation reaction. A ternary fluorescence resonance energy transfer biosensor based on a suicide DNA substrate conjugated with three fluorophores has been developed to monitor both cleavage and religation Topoisomerase I catalytic function. The presence of fluorophores does not alter the specificity of the enzyme catalysis on the DNA substrate. The enzyme-mediated reaction can be tracked in real-time by simple fluorescence measurement, avoiding the use of risky radioactive substrate labeling and time-consuming denaturing gel electrophoresis. The method is applied to monitor the perturbation brought by single mutation on the cleavage or religation reaction and to screen the effect of the camptothecin anticancer drug monitoring the energy transfer decrease during religation reaction. Pathological mutations usually affect only the cleavage or the religation reaction and the proposed approach represent a fast protocol for assessing chemotherapeutic drug efficacy and analyzing mutant's properties. Copyright © 2018 Elsevier Inc. All rights reserved.

  10. Investigation of ternary and quaternary high-temperature fixed-point cells, based on platinum-carbon-X, as blind comparison artefacts

    Science.gov (United States)

    Dong, W.; Machin, G.; Bloembergen, P.; Lowe, D.; Wang, T.

    2016-11-01

    Extensive studies of platinum-carbon eutectic alloy based high temperature fixed point cells have shown that this alloy has extremely good metrological potential as a temperature reference. However, it’s possible adoption as an accepted reference standard means that its eutectic temperature value will soon be agreed with an uncertainty less than most radiation thermometry scales at that temperature. Thus it will lack credibility if used as a future scale comparison artefact. To avoid this, the fixed-point cell can be deliberately doped with an impurity to change its transition temperature by an amount sufficient to test the accuracy of the scales of the institutes, involved in the comparison. In this study dopants of palladium and iridium were added to platinum-carbon to produce ternary alloy and quaternary alloy fixed-point cells. The stability of these artefacts was demonstrated and the fixed-point cells were used to compare the ITS-90 scales of NIM and NPL. It was found that the fixed point temperatures could be changed by an appreciable amount while retaining the stability and repeatability required for comparison artefacts.

  11. A family tree of methyl oleate-based compounds

    Science.gov (United States)

    A family of compounds starting with potentially bio-based methyl oleate have been synthesized through a variety of chemical methods. Grandpa EMO (Epoxidized Methyl Oleate) is the most well represented in terms of ancestors, but other catalytic cousins are also presented. Featured material on aunt Et...

  12. Design and selection of triazole-based compounds with high ...

    Indian Academy of Sciences (India)

    128, No. 8, August 2016, pp. 1223–1236. c Indian Academy of Sciences. DOI 10.1007/s12039-016-1117-x. Design and selection of triazole-based compounds with high energetic properties and stabilities. GUOZHENG ZHAO. ∗. , JIANFENG JIA and HAISHUN WU. School of Chemistry and Materials Science, Shanxi Normal ...

  13. Structural and physical properties of new uranium and transition element ternary stannides (Fe, Co, Ni, Ru, Rh, Pd, Ir, Pt); Proprietes structurales et physiques de nouveaux stannures ternaires a base d'uranium et d'element de transition (Fe, Co, Ni, Rh, Pd, Ir, Pt)

    Energy Technology Data Exchange (ETDEWEB)

    Mirambet, F

    1993-12-15

    This work is dedicated to the study of ternary stannides based on uranium. The author reviews the structural, magnetic and electric properties of different families of stannides. The study of the U{sub 2}M{sub 2}Sn family where M stands for Fe, Co, Ni, Ru, Rh, Pd, Ir and Pt shows that the magnetic behaviour of uranium in these compounds is strongly influenced by the transition element M, which is explained by the hybridization force 5f(U) - nd(M) that depends on the number of electrons on the d shell of the M element. For instance, for the elements whose d shell is low filled (Fe, Ru), the U{sub 2}M{sub 2}Sn stannides show no magnetic order. On the other hand, when the number of d-electrons increases, a magnetic order appears progressively.

  14. [The mechanism of rosiglitazone compound based on network pharmacology].

    Science.gov (United States)

    Bai, Yu; Fan, Xue-mei; Sun, Han; Wang, Yi-ming; Liang, Qiong-lin; Luo, Guo-an

    2015-03-01

    Applications of network pharmacology are increasingly widespread and methods abound in the field of drug development and pharmacological research. In this study, we choose rosiglitazone compound as the object to predict the targets and to discuss the mechanism based on three kinds of prediction methods of network pharmacology. Comparison of the prediction result has identified that the three kinds of prediction methods had their own characteristics: targets and pathways predicted were not in accordance with each other. However, the calcium signaling pathway could be predicted in the three kinds of methods, which associated with diabetes and cognitive impairment caused by diabetes by bioinformatics analysis. The above conclusion indicates that the calcium signaling pathway is important in signal pathway regulation of rosiglitazone compound, which provides a clue to further explain the mechanism of the compound and also provides a reference for the selection and application of methods of network pharmacology in the actual research.

  15. High-Tc Superconductors Based on FeAs Compounds

    CERN Document Server

    Izyumov, Yuri

    2010-01-01

    Physical properties and models of electronic structure are analyzed for a new class of high-TC superconductors which belong to iron-based layered compounds. Despite their variable chemical composition and differences in the crystal structure, these compounds possess similar physical characteristics, due to electron carriers in the FeAs layers and the interaction of these carriers with fluctuations of the magnetic order. A tremendous interest towards these materials is explained by the prospects of their practical use. In this monograph, a full picture of the formation of physical properties of these materials, in the context of existing theory models and electron structure studies, is given. The book is aimed at a broad circle of readers: physicists who study electronic properties of the FeAs compounds, chemists who synthesize them and specialists in the field of electronic structure calculations in solids. It is helpful not only to researchers active in the fields of superconductivity and magnetism, but also...

  16. Synthesis and anticonvulsant activity of certain chalcone based pyrazoline compounds

    Directory of Open Access Journals (Sweden)

    Sudhakara Rao Gerapati

    2015-09-01

    Full Text Available Convulsions are involuntary, violent, spasmodic and prolonged contractions of skeletal muscles. That means a patient may have epilepsy without convulsions and vice versa. Epilepsy is a common neurological abnormality affecting about 1% of the world population. The primary objectives of these synthesized compounds are to suppress seizures and provide neuroprotection by minimizing the effects from seizure attacks. Here some of the chalcones and chalcone based various pyrazolines were evaluated for anticonvulsant activity. Their structures have been elucidated on the basis of elemental analyses and spectroscopic studies (IR, 1H-NMR & Mass spectroscopy. A preliminary evaluation of the prepared compounds has indicated that some of them exhibit moderate to significant anticonvulsant activity compared to a diazepam standard1-3.  All compounds were tested for their anticonvulsant activity using maximal electroshock induced convulsions (MES in mice at a dose level of 4 mg/kg.b.w. The compounds  Ph1, Ph2 , Py2 ,Py3 and Py4 have shown  to  good anticonvulsant activity when doses are administered as 25mg/ kg.b.w  , reduced the phases of seizures severity and  found to be active and also  increased survival rate. Remaining compounds are less efficacious.

  17. Kinetic study of lithium-cadmium ternary amalgam decomposition

    International Nuclear Information System (INIS)

    Cordova, M.H.; Andrade, C.E.

    1992-01-01

    The effect of metals, which form stable lithium phase in binary alloys, on the formation of intermetallic species in ternary amalgams and their effect on thermal decomposition in contact with water is analyzed. Cd is selected as ternary metal, based on general experimental selection criteria. Cd (Hg) binary amalgams are prepared by direct contact Cd-Hg, whereas Li is formed by electrolysis of Li OH aq using a liquid Cd (Hg) cathodic well. The decomposition kinetic of Li C(Hg) in contact with 0.6 M Li OH is studied in function of ageing and temperature, and these results are compared with the binary amalgam Li (Hg) decomposition. The decomposition rate is constant during one hour for binary and ternary systems. Ageing does not affect the binary systems but increases the decomposition activation energy of ternary systems. A reaction mechanism that considers an intermetallic specie participating in the activated complex is proposed and a kinetic law is suggested. (author)

  18. Isoniazid release from suppositories compounded with selected bases.

    Science.gov (United States)

    Hudson, Kristofer C; Asbill, C Scott; Webster, Andrew A

    2007-01-01

    There is an increasing need for an alternative route of isoniazid adminstration for prophylaxis and treatment of tuberculosis in children. The purpose of this study is to evaluate the in vitro release of isoniazid from extemporaneously compounded isoniazid suppositories with a goal of optimizing the suppository dosage form for this indication. Suppositories were compounded using three different base formulations (cocoa butter, Witepsol H15 Base F, and a combination of polyethylene glycols 3350, 1000, and 400). The release profiles of six compounded suppositories with isoniazid (100 mg) were tested with a United States Pharmacopeial Convention-approved dissolution apparatus. Isoniazid concentrations at predetermined time points were determined using high-performance liquid chromatographic analysis. The results show that drug release from the water-solutble base (mixed polyethylene glycols) was significantly greater than that from the lipophilic bases (cocoa butter and Witepsol H15). The percentage of isoniazid release form the polyethylene glycol suppository formulation (70 +/- 1.4 mg/mL) was greater than that from the cocoa butter (55 +/- 1.1 mg/mL) and Witepsol H15 Base F (18 +/- 0.36 mg/mL) suppository formulations.

  19. Experimental and thermodynamic investigation of Al-Cu-Nd ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Bai, W.M. [School of Materials Science and Engineering, Central South University, Changsha, 410083 (China); Jiang, Y. [Hunan Sushi Guangbo Testing Techniques Co. LTD, Changsha (China); Guo, Z.Y.; Zeng, L.J.; Tan, M.Y. [School of Materials Science and Engineering, Central South University, Changsha, 410083 (China); Meggs, C. [School of Metallurgy and Materials, The University of Birmingham, Edgbaston, Birmingham, B15 2TT (United Kingdom); Zhang, L.G., E-mail: ligangzhang@csu.edu.cn [School of Materials Science and Engineering, Central South University, Changsha, 410083 (China); Liu, L.B., E-mail: pdc@csu.edu.cn [School of Materials Science and Engineering, Central South University, Changsha, 410083 (China); Jin, Z.P. [School of Materials Science and Engineering, Central South University, Changsha, 410083 (China)

    2017-07-01

    The phase relationships in the Al–Cu-Nd ternary system at 673 K have been investigated by X-ray powder diffraction (XRD) and scanning electron microscope (SEM) with energy disperse X-ray spectroscopy (EDS) in backscattered electron imaging (BSE) modes. The existence of six ternary Stoichiometric compounds, namely τ{sub 1}-Al{sub 8}Cu{sub 4}Nd, τ{sub 2}-Al{sub 9}Cu{sub 8}Nd{sub 2}, τ{sub 3}-Al{sub 6}Cu{sub 7}Nd, τ{sub 4}-Al{sub 2.4}Cu{sub 8.6}Nd, τ{sub 5}-Al{sub 3}CuNd, τ{sub 6}-AlCuNd, have been confirmed. A complete thermodynamic description of the Al–Cu-Nd ternary system coupled with the CALPHAD method is obtained based on experimental results and first-principles calculations. The calculated phase equilibria were in agreement with the available experimental data. - Highlights: • Phase relationships in the Al-Cu-Nd system has been systematically investigated. • 9 three-phase regions and 4 two-phase regions are confirmed. • A complete thermodynamic description of the Al-Cu-Nd system is obtained. • Results of first-principle calculation consist with thermodynamic calculation.

  20. Structural stability of ternary C22–Zr{sub 6}X{sub 2}Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and C22–Zr{sub 6}Sn{sub 2}T′ (T′=Fe, Co, Ni, Cu) compounds

    Energy Technology Data Exchange (ETDEWEB)

    Colinet, Catherine, E-mail: ccolinet@simap.grenoble-inp.fr [Science et Ingénierie des Matériaux et Procédés, Grenoble INP, UJF, CNRS, 38402 Saint Martin d’Hères, Cedex (France); Crivello, Jean-Claude [ICMPE-CMTR, CNRS UMR-7182, 2-8 rue Henri Dunant, 94320 Thiais (France); Tedenac, Jean-Claude [Institut de Chimie Moléculaire et des Matériaux I.C.G., UMR-CNRS 5253, Université Montpellier II, Place E. Bataillon, 34095 Montpellier Cedex 5 (France)

    2013-09-15

    The crystal and electronic structures, and the thermodynamic properties of Zr{sub 6}X{sub 2}Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr{sub 6}Sn{sub 2}T′ (T′=Fe, Co, Ni, Cu) ternary compounds in the Fe{sub 2}P-type structure have been investigated by means of first principle calculations. The calculated structural parameters are in good agreement with the experimental data. The total electronic densities of states as well as the Bader charges of the atoms have been computed. Both electronic and size effects allow to explain the stability of the ternary Zr{sub 6}X{sub 2}Co (X=Al, Ga, Sn, As, Sb, Bi, Te) and Zr{sub 6}Sn{sub 2}T′ (T′=Fe, Co, Ni, Cu) compounds. - Graphical abstract: Valence charge electronic localization function (ELF) calculated for Zr{sub 6}Sb{sub 2}Co compound. Display Omitted - Highlights: • Structural stability of Zr{sub 6}X{sub 2}T′ compounds (X: p element, T′: late transition metal) in the Fe{sub 2}P-type structure. • First principles calculation of lattice parameters and enthalpies of formation. • Electronic densities of state in the series Zr{sub 6}Sn{sub 2}T′ (T′=Fe, Co, Ni, Cu). • Electronic densities of state in the series Zr{sub 6}X{sub 2}Co (X=Al, Ga, Sn, As, Sb, Bi, Te)

  1. Magnetic structures of new uranium or rare earth based ternary stannides T{sub 2}M{sub 2}Sn (T = RE, U and M = Ni, Pd); Structures magnetiques de nouveaux stannures ternaires a base d'uranium ou de terres rares T{sub 2}M{sub 2}Sn (T=U, RE et M=Ni, Pd)

    Energy Technology Data Exchange (ETDEWEB)

    Laffargue, D

    1997-07-15

    Magnetic structures of new ternary stannides T{sub 2}M{sub 2}Sn (T = U, RE and M Ni, Pd) have been determined by powder neutron diffraction. A precise study of U{sub 2}M{sub 2}Sn (M = Ni, Pd) compounds showed several relations between structural and magnetic properties. The hybridization effects between 5f(U) and 3d(Ni) states is responsible for the weak magnetic moment observed on the uranium atoms in U{sub 2}Ni{sub 2}Sn, and explains why this stannide is close to a magnetic instability. In the system U{sub 2}Pd{sub 2+x}Sn{sub 1-x}, the reduction of the magnetic moment when the palladium composition increases shows the influence of 5f(U) - 4d(Pd) hybridization. In this solid solution, the evolution of the magnetic structure with the composition confirms an empirical law: the uranium magnetic moments are directed perpendicularly to the shortest U-U links. The extension of this study to the new Rare Earth based stannides RE{sub 2}Pd{sub 2,04}Sn{sub 0,96} (RE = Ce, Tb, Dy, Ho, Er) evidenced systematic correlations between complicated magnetic structures. All these compounds present two magnetic transitions, characterized first by a sine-wave modulation, then at lower temperatures by a commensurate magnetic structure. (author)

  2. Improving the performance of solution-processed organic solar cells by incorporating small molecule acceptors into a ternary bulk heterojunction based on DH6T:Mq3:PCBM (M = Ga, Al)

    Energy Technology Data Exchange (ETDEWEB)

    Muhammad, Fahmi F. [Center for Composites, Institute for Vehicle Systems & Engineering, Faculty of Mechanical Engineering, Universiti Teknologi Malaysia, 81310 Johor Bahru, Johor (Malaysia); Soft Materials & Devices Lab, Department of Physics, Faculty of Science & Health, Koya University, Koya, Kurdistan Region (Iraq); Development Center for Research and Training, University of Human Development, Sulaimani, Kurdistan Region (Iraq); Yahya, Mohd Yazid, E-mail: yazidyahya@utm.my [Center for Composites, Institute for Vehicle Systems & Engineering, Faculty of Mechanical Engineering, Universiti Teknologi Malaysia, 81310 Johor Bahru, Johor (Malaysia); Sulaiman, Khaulah [Low Dimensional Materials Research Centre, Department of Physics, Faculty of Science, University of Malaya, 50603 Kuala Lumpur (Malaysia)

    2017-02-15

    Improvement in the overall performance of solution-processed organic solar cells based on a ternary heterostructure was realized by means of incorporating small molecules of tris(8-hydroxyquinoline) gallium (Gaq3) or Alq3 electron acceptors. The donor host polymer was α,ω-dihexyl-sexithiophene (DH6T), while the ultimate acceptor was fullerene (PC{sub 61}BM). The results showed that short circuit current (I{sub Sc}), open circuit voltage (V{sub oc}), and fill factor (FF) of the devices were pronouncedly enhanced by the inclusion of Gaq3 or Alq3. The maximum output power and conversion efficiency of the ternary devices were increased by an order of 5.8 times compared to that of the control devices. These improvements were ascribed to the broadened light absorption, energy levels alignment between the donor-acceptor components, a balanced charge transfer, and increased crystallinity of the devices active layer. The results were ascertained and analyzed by means of UV–Vis, PL, XRD, IV and TEM investigations. - Highlights: • Ternary solution-processed OSCs including Gaq3 and Alq3 acceptors were realized. • The power and efficiency of the devices were increased by an order of 5.8. • Broadened absorption and improved crystallinity were achieved for the active layers.

  3. Improving the performance of solution-processed organic solar cells by incorporating small molecule acceptors into a ternary bulk heterojunction based on DH6T:Mq3:PCBM (M = Ga, Al)

    International Nuclear Information System (INIS)

    Muhammad, Fahmi F.; Yahya, Mohd Yazid; Sulaiman, Khaulah

    2017-01-01

    Improvement in the overall performance of solution-processed organic solar cells based on a ternary heterostructure was realized by means of incorporating small molecules of tris(8-hydroxyquinoline) gallium (Gaq3) or Alq3 electron acceptors. The donor host polymer was α,ω-dihexyl-sexithiophene (DH6T), while the ultimate acceptor was fullerene (PC 61 BM). The results showed that short circuit current (I Sc ), open circuit voltage (V oc ), and fill factor (FF) of the devices were pronouncedly enhanced by the inclusion of Gaq3 or Alq3. The maximum output power and conversion efficiency of the ternary devices were increased by an order of 5.8 times compared to that of the control devices. These improvements were ascribed to the broadened light absorption, energy levels alignment between the donor-acceptor components, a balanced charge transfer, and increased crystallinity of the devices active layer. The results were ascertained and analyzed by means of UV–Vis, PL, XRD, IV and TEM investigations. - Highlights: • Ternary solution-processed OSCs including Gaq3 and Alq3 acceptors were realized. • The power and efficiency of the devices were increased by an order of 5.8. • Broadened absorption and improved crystallinity were achieved for the active layers.

  4. A novel ternary uranium-based intermetallic U{sub 34}Fe{sub 4−x}Ge{sub 33}: Structure and physical properties

    Energy Technology Data Exchange (ETDEWEB)

    Henriques, M.S., E-mail: mish@itn.pt [Campus Tecnológico e Nuclear, Instituto Superior Técnico, Universidade de Lisboa, CFMC-UL, Estrada Nacional 10, 2695-066 Bobadela (Portugal); Berthebaud, D. [Institut des Sciences Chimiques de Rennes, Chimie du Solide et Matériaux, Université Rennes 1, UMR CNRS 6226, 263 Avenue du Général Leclerc, 35042 Rennes (France); CRISMAT, UMR CNRS 6508, 6 bd. Maréchal Juin, 14050 Caen (France); Waerenborgh, J.C.; Lopes, E.B. [Campus Tecnológico e Nuclear, Instituto Superior Técnico, Universidade de Lisboa, CFMC-UL, Estrada Nacional 10, 2695-066 Bobadela (Portugal); Pasturel, M.; Tougait, O. [Institut des Sciences Chimiques de Rennes, Chimie du Solide et Matériaux, Université Rennes 1, UMR CNRS 6226, 263 Avenue du Général Leclerc, 35042 Rennes (France); Gonçalves, A.P. [Campus Tecnológico e Nuclear, Instituto Superior Técnico, Universidade de Lisboa, CFMC-UL, Estrada Nacional 10, 2695-066 Bobadela (Portugal)

    2014-09-01

    Highlights: • A new uranium intermetallic compound U{sub 34}Fe{sub 4−x}ge{sub 33} was prepared and characterized. • It crystallizes in the tetragonal system with an original structure-type. • U lattice stacking is made of cupolae, orthobicupola and irregular cubes. • U{sub 34}Fe{sub 4−x}Ge{sub 33} orders magnetically at T{sub C} = 28 K, with pure U magnetism. • T{sub C} and electrical resistivity increase with applied magnetic field. - Abstract: The new ternary phase U{sub 34}Fe{sub 4−x}Ge{sub 33} has been synthesized and characterized by means of single crystal X-ray diffraction, magnetization, Mössbauer spectroscopy, specific heat, electrical resistivity, magnetoresistivity and thermopower measurements. It crystallizes in its own tetragonal structure type which can be described as derived from the one of the binary USi (U{sub 34}Si{sub 34.5} structure-type, space group I4/mmm), with lattice parameters at room temperature, a = 10.873(5) Å and c = 25.274(3) Å. Structure refinement confirmed six inequivalent U atoms, occupying sites with dissimilar coordination, the Ge atoms staying on seven positions and Fe on two positions, one of the Fe sites with a partial occupancy. The U sub-lattice is composed by the stacking of a square cupola, two distorted cubes and a square orthobicupola. U{sub 34}Fe{sub 4−x}Ge{sub 33} with x = 0.68 undergoes a ferromagnetic-type transition below 28 K. Mössbauer spectroscopy shows that the magnetism is ruled by the U sub-lattice, as Fe atoms have no ordered moments. The Sommerfeld coefficient of the electronic specific heat is γ = 131 mJ/(mol{sub U} K{sup 2}), whereas the estimated magnetic entropy at T{sub C} is 0.22Rln2. A residual resistivity of 314 μΩ cm and a resistivity ratio of 1.1 were found in the electrical resistivity curve, which also exhibits an upturn below T{sub C} that shifts towards higher temperatures with the applied magnetic field. This behavior may be related to some disorder in the non

  5. Improvement of solid-phase microextraction efficiency by the application of a carbon-nanotubes-based ternary microextraction fiber composite.

    Science.gov (United States)

    Mohammadiazar, Sirwan; Fallahpour, Nastaran; Roostaie, Ali; Ebrahimi, Bahram

    2017-09-01

    In this study, a novel technique is proposed for preparation of an efficient and unbreakable metal-wire-supported solid-phase microextraction fiber. A sol-gel film was deposited on electrophoretically deposited carbon nanotubes on a stainless-steel wire. The applicability of the fiber was evaluated through the extraction of some aromatic pollutants as model compounds from the headspace of aqueous samples in combination with gas chromatography and mass spectrometry. The parameters affecting the structure and extraction efficiency of the fiber (including the type of solvent, time, and potential for electrophoretic deposition) and the parameters affecting the extraction efficiency (such as coating type, salt content, extraction temperature, and time) were investigated. The results showed that the film thickness will be increased by increasing the potential and time duration. Finally, the characterization of the deposited film was accomplished by scanning electron microscopy and thermogravimetric analysis. After the optimization of the extraction parameters, the limit of detection of less than 20 pg/mL was achieved, and the calibration curves were all linear (r 2  ≥ 0.9737), in the range from 50 to 500 pg/mL. The solid-phase microextraction fiber has a high mechanical strength; good stability and long service life, making it potentially applicable in the extraction of trace polycyclic aromatic hydrocarbons from aqueous samples. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. An Open-Circuit Voltage and Power Conversion Efficiency Study of Fullerene Ternary Organic Solar Cells Based on Oligomer/Oligomer and Oligomer/Polymer.

    Science.gov (United States)

    Zhang, Guichuan; Zhou, Cheng; Sun, Chen; Jia, Xiaoe; Xu, Baomin; Ying, Lei; Huang, Fei; Cao, Yong

    2017-07-01

    Variations in the open-circuit voltage (V oc ) of ternary organic solar cells are systematically investigated. The initial study of these devices consists of two electron-donating oligomers, S2 (two units) and S7 (seven units), and the electron-accepting [6,6]-phenyl C71 butyric acid methyl ester (PC 71 BM) and reveals that the V oc is continuously tunable due to the changing energy of the charge transfer state (E ct ) of the active layers. Further investigation suggests that V oc is also continuously tunable upon change in E ct in a ternary blend system that consists of S2 and its corresponding polymer (P11):PC 71 BM. It is interesting to note that higher power conversion efficiencies can be obtained for both S2:S7:PC 71 BM and S2:P11:PC 71 BM ternary systems compared with their binary systems, which can be ascribed to an improved V oc due to the higher E ct and an improved fill factor due to the improved film morphology upon the incorporation of S2. These findings provide a new guideline for the future design of conjugated polymers for achieving higher performance of ternary organic solar cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Research Progress on Ni-Based Antiperovskite Compounds

    Directory of Open Access Journals (Sweden)

    P. Tong

    2012-01-01

    Full Text Available The superconductivity in antiperovskite compound MgCNi3 was discovered in 2001 following the discovery of the superconducting MgB2. In spite of its lower superconducting transition temperature (8 K than MgB2 (39 K, MgCNi3 has attracted considerable attention due to its high content of magnetic element Ni and the cubic structure analogous to the perovskite cuprates. After years of extensive investigations both theoretically and experimentally, however, it is still not clear whether the mechanism for superconductivity is conventional or not. The central issue is if and how the ferromagnetic spin fluctuations contribute to the cooper paring. Recently, the experimental results on the single crystals firstly reported in 2007 trend to indicate a conventional s-wave mechanism. Meanwhile many compounds neighboring to MgCNi3 were synthesized and the physical properties were investigated, which enriches the physics of the Ni-based antiperovskite compounds and help understand the superconductivity in MgCNi3. In this paper, we summarize the research progress in these two aspects. Moreover, a universal phase diagram of these compounds is presented, which suggests a phonon-mediated mechanism for the superconductivity, as well as a clue for searching new superconductors with the antiperovskite structure. Finally, a few possible scopes for future research are proposed.

  8. Ternary Silver Halide Nanocrystals.

    Science.gov (United States)

    Abeyweera, Sasitha C; Rasamani, Kowsalya D; Sun, Yugang

    2017-07-18

    Nanocrystalline silver halides (AgX) such as AgCl, AgBr, and AgI, a class of semiconductor materials with characteristics of both direct and indirect band gaps, represent the most crucial components in traditional photographic processing. The nanocrystal surfaces provide sensitivity specks that can turn into metallic silver, forming an invisible latent image, upon exposure to light. The photographic processing implies that the AgX nanoparticles possess unique properties. First, pristine AgX nanoparticles absorb light only at low efficiency to convert surface AgX into tiny clusters of silver atoms. Second, AgX nanoparticles represent an excellent class of materials to capture electrons efficiently. Third, small metallic silver clusters can catalyze the reduction of AgX nanoparticles to Ag nanoparticles in the presence of mild reducing reagents, known as self-catalytic reduction. These properties indicate that AgX nanoparticles can be partially converted to metallic silver with high precision, leading to the formation of hybrid AgX/Ag nanoparticles. The nanosized metallic Ag usually exhibit intense absorption bands in the visible spectral region due to their strong surface plasmon resonances, which make the AgX/Ag nanoparticles a class of promising visible-light-driven photocatalysts for environmental remediation and CO 2 reduction. Despite the less attention paid to their ability of capturing electrons, AgX nanoparticles might be a class of ideal electron shuttle materials to bridge light absorbers and catalysts on which electrons can drive chemical transformations. In this Account, we focus on ternary silver halide alloy (TSHA) nanoparticles, containing two types of halide ions, which increase the composition complexity of the silver halide nanoparticles. Interdiffusion of halide ions between two types of AgX at elevated temperatures has been developed for fabricating ternary silver halide alloy crystals, such as silver chlorobromide optical fibers for infrared

  9. Influence of the nature of the transition element M of the magnetic behavior of uranium in new ternary silicides and germanide UsMtXv (M = Fe, Co, Ni, Ru, Rh, Pd, Os, Ir, Pt and X = Si, Ge)

    International Nuclear Information System (INIS)

    Hickey, Eugene

    1992-01-01

    Structural, magnetic and electrical properties of three new series of ternary compounds based on uranium (U 2 M 3 X 5 , U 2 MSi 3 and UMEG2) were determined. The magnetic state of uranium in these compounds depends on the nature of the transition element M. This behavior is explained by significant competition between Kondo-type interactions and magnetic interactions type RKKY This accounts for the non-magnetic magnetic transition undergone by uranium in some systems. (author)

  10. Ternary fission of 184466,476X formed in U + U collisions

    International Nuclear Information System (INIS)

    Karthikraj, C.; Subramanian, S.; Selvaraj, S.

    2016-01-01

    Recently, the very rare process of nuclear ternary fission has been of great interest in nuclear dynamics. Based on the statistical theory of fission, we discuss here the ternary-fission mass distribution of 184 466,476 X formed in low-energy U + U collisions for different heavy third fragments at T = 1 and 2 MeV. The expected ternary configurations 208 Pb + 208 Pb + 50 Ca and 204 Hg + 204 Hg + 58 Cr are obtained from the ternary fission of 184 466 X at T = 2 MeV. In addition, for both the systems, various possible ternary modes are listed for different heavy third fragments. Our results clearly indicate that the favored ternary configurations have either proton and/or neutron shell closure nucleus as one of their partners. (orig.)

  11. Phase equilibrium measurements of ternary systems formed by linoleic and linolenic acids in carbon dioxide/ethanol mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Rosso, Sibele R. [EQA/UFSC, Chemical and Food Engineering Department, Federal University of Santa Catarina, C.P. 476, CEP 88040-900, Florianopolis, SC (Brazil); Franceschi, Elton; Borges, Gustavo R.; Corazza, Marcos L.; Oliveira, J. Vladimir [Department of Food Engineering, URI - Campus de Erechim, Av. Sete de Setembro, 1621, Erechim, RS 99700-000 (Brazil); Ferreira, Sandra R.S. [EQA/UFSC, Chemical and Food Engineering Department, Federal University of Santa Catarina, C.P. 476, CEP 88040-900, Florianopolis, SC (Brazil)], E-mail: sandra@enq.ufsc.br

    2009-11-15

    This work reports phase equilibrium measurements for the ternary systems linoleic (acid + CO{sub 2} + ethanol) and (linolenic acid + CO{sub 2} + ethanol). The fatty acids present in the ternary systems were selected based on composition of banana peel oil extracted by supercritical CO{sub 2} at 20 MPa and 313 K. The motivation of this research relies on the fact that these unsaturated fatty acids are recognized to play an important role in lowering blood pressure and serum cholesterol and because they are present in high concentrations in banana peel extract. Besides that, equilibrium data of these compounds are scarce in literature. The phase equilibrium experiments were performed using a high-pressure variable-volume view cell over the temperature range of (303 to 343) K and pressures up to 19 MPa. For both systems, only vapour-liquid phase transitions were visually recorded for all data measured.

  12. Compound

    Indian Academy of Sciences (India)

    A: in CDCl3, B: in DMSO, a) keto-amine, b) phenol-imine form. * Solubility in CDCl3 and/ or DMSO is not enough for recording 13C NMR spectrum. Table S3. 1H and 13C NMR spectral data of Schiff bases (9 and 13).

  13. Pharmacokinetics of a ternary conjugate based pH-responsive 10-HCPT prodrug nano-micelle delivery system

    Directory of Open Access Journals (Sweden)

    Yang Liu

    2017-11-01

    Full Text Available A pH-responsive conjugate based 10-hydroxycamptothecin-thiosemicarbazide-polyethene glycol 2000 (10-HCPT-hydro-PEG nano-micelles were prepared in our previous study. In the present study, ultra-performance liquid chromatography (UPLC-MS method is developed to investigate its pharmacokinetics and biodistribution in tumor bearing mice. The results demonstrated that the conjugate circulated for a much longer time in the blood circulation system than commercial 10-HCPT injection, and bioavailability was significantly improved compared with 10-HCPT. In vivo biodistribution study showed that the conjugate could enhance the targeting and residence time in tumor site.

  14. Solid solution or amorphous phase formation in TiZr-based ternary to quinternary multi-principal-element films

    Directory of Open Access Journals (Sweden)

    Mariana Braic

    2014-08-01

    The deposited films exhibited only solid solution (fcc, bcc or hcp or amorphous phases, no intermetallic components being detected. It was found that the hcp structure was stabilized by the presence of Hf or Y, bcc by Nb or Al and fcc by Cu. For the investigated films, the atomic size difference, mixing enthalpy, mixing entropy, Gibbs free energy of mixing and the electronegativity difference for solid solution and amorphous phases were calculated based on Miedema׳s approach of the regular solution model. It was shown that the atomic size difference and the ratio between the Gibbs free energies of mixing of the solid solution and amorphous phases were the most significant parameters controlling the film crystallinity.

  15. Sequential character of low-energy ternary and quaternary nuclear fission

    Science.gov (United States)

    Kadmensky, S. G.; Bulychev, A. O.

    2016-09-01

    An analysis of low-energy true ternary (quaternary) nuclear fission leads to the conclusion that these fission modes have a sequential two-step (three-step) character such that the emission of a third particle (third and fourth particles) and the separation of fission fragments occur at distinctly different instants, in contrast to the simultaneous emergence of all fission products in the case of onestep ternary (quaternary) fission. This conclusion relies on the following arguments. First, the emission of a third particle (third and fourth particles) from a fissile nucleus is due to a nonevaporative mechanism associated with a nonadiabatic character of the collective deformation motion of this nucleus at the stages preceding its scission. Second, the axial symmetry of the deformed fissile compound nucleus and the direction of its symmetry axis both remain unchanged at all stages of ternary (quaternary) fission. This circumstancemakes it possible to explain themechanism of the appearance of observed anisotropies and T — odd asymmeries in the angular distributions of products of ternary (quaternary) nuclear fission. Third, the T —odd asymmetry discovered experimentally in ternary nuclear fission induced by cold polarized neutrons obeys the T —invariance condition only in the case of a sequential two-step (three-step) character of true ternary (quaternary) nuclear fission. At the same time, this asymmetry is not a T —invariant quantity in the case of the simultaneous emission of products of true ternary (quaternary) nuclear fission from the fissile compound nucleus.

  16. Nanostructured Polypyrrole-Based Ammonia and Volatile Organic Compound Sensors

    Directory of Open Access Journals (Sweden)

    Milena Šetka

    2017-03-01

    Full Text Available The aim of this review is to summarize the recent progress in the fabrication of efficient nanostructured polymer-based sensors with special focus on polypyrrole. The correlation between physico-chemical parameters, mainly morphology of various polypyrrole nanostructures, and their sensitivity towards selected gas and volatile organic compounds (VOC is provided. The different approaches of polypyrrole modification with other functional materials are also discussed. With respect to possible sensors application in medicine, namely in the diagnosis of diseases via the detection of volatile biomarkers from human breath, the sensor interaction with humidity is described as well. The major attention is paid to analytes such as ammonia and various alcohols.

  17. Ternary Weighted Function and Beurling Ternary Banach Algebra l1ω(S

    Directory of Open Access Journals (Sweden)

    Mehdi Dehghanian

    2011-01-01

    Full Text Available Let S be a ternary semigroup. In this paper, we introduce our notation and prove some elementary properties of a ternary weight function ω on S. Also, we make ternary weighted algebra l1ω(S and show that l1ω(S is a ternary Banach algebra.

  18. Irregular Homogeneity Domains in Ternary Intermetallic Systems

    Directory of Open Access Journals (Sweden)

    Jean-Marc Joubert

    2015-12-01

    Full Text Available Ternary intermetallic A–B–C systems sometimes have unexpected behaviors. The present paper examines situations in which there is a tendency to simultaneously form the compounds ABx, ACx and BCx with the same crystal structure. This causes irregular shapes of the phase homogeneity domains and, from a structural point of view, a complete reversal of site occupancies for the B atom when crossing the homogeneity domain. This work reviews previous studies done in the systems Fe–Nb–Zr, Hf–Mo–Re, Hf–Re–W, Mo–Re–Zr, Re–W–Zr, Cr–Mn–Si, Cr–Mo–Re, and Mo–Ni–Re, and involving the topologically close-packed Laves, χ and σ phases. These systems have been studied using ternary isothermal section determination, DFT calculations, site occupancy measurement using joint X-ray, and neutron diffraction Rietveld refinement. Conclusions are drawn concerning this phenomenon. The paper also reports new experimental or calculated data on Co–Cr–Re and Fe–Nb–Zr systems.

  19. A refracto-densimetric method for composition analysis of homogeneous ternary liquid mixtures

    OpenAIRE

    Martinez, Fleming; Rojas, Jaime

    2009-01-01

    A new method for composition analysis of homogeneous ternary liquid mixtures is presented. The method is based in the determination of refractive index and density of the unknown mixture. These values are localized in triangular diagrams of thermo-physical properties for the ternary system. The mixture composition correspond to the interception point of the isooptic and isopycnic curves.

  20. Definition of the Mediterranean diet based on bioactive compounds.

    Science.gov (United States)

    Saura-Calixto, Fulgencio; Goñi, Isabel

    2009-02-01

    Antioxidant (polyphenols and carotenoids) and nonantioxidant (phytosterols) bioactive compounds and dietary fiber may have a significant role in health. The intake of these compounds is strongly linked with the high consumption of fruits, vegetables, and unrefined cereals. A whole-diet approach to these food constituents is intended to render the current definition of Mediterranean diet based on food consumption more comprehensive. The Mediterranean dietary pattern can be characterized by the following four essential dietary indicators: 1) Monounsaturated to saturated fatty acid ratio (range: 1.6 to 2.0); 2) Intake of dietary fiber (41 to 62 g/person/day); 3) Antioxidant capacity of the whole diet (3500 to 5300 trolox equivalent/person/day); 4) Phytosterols intake (370 to 555 mg/person/day). The contribution of foods and beverages to these parameters is described. Spanish National Food Consumption Data for the years 2000 and 1964 were used to quantify the lowest and highest range values. The occurrence of these indicators in the Mediterranean diet has specific characteristics and there is sufficient scientific evidence to support the beneficial health effects.

  1. An approach to accidents modeling based on compounds road environments.

    Science.gov (United States)

    Fernandes, Ana; Neves, Jose

    2013-04-01

    The most common approach to study the influence of certain road features on accidents has been the consideration of uniform road segments characterized by a unique feature. However, when an accident is related to the road infrastructure, its cause is usually not a single characteristic but rather a complex combination of several characteristics. The main objective of this paper is to describe a methodology developed in order to consider the road as a complete environment by using compound road environments, overcoming the limitations inherented in considering only uniform road segments. The methodology consists of: dividing a sample of roads into segments; grouping them into quite homogeneous road environments using cluster analysis; and identifying the influence of skid resistance and texture depth on road accidents in each environment by using generalized linear models. The application of this methodology is demonstrated for eight roads. Based on real data from accidents and road characteristics, three compound road environments were established where the pavement surface properties significantly influence the occurrence of accidents. Results have showed clearly that road environments where braking maneuvers are more common or those with small radii of curvature and high speeds require higher skid resistance and texture depth as an important contribution to the accident prevention. Copyright © 2013 Elsevier Ltd. All rights reserved.

  2. Experimental and thermodynamic study of the Er-H-Zr ternary system

    International Nuclear Information System (INIS)

    Mascaro, A.

    2012-01-01

    This work at CEA is being achieved in the framework of the development of an innovating concept including the neutronic solid burnable poison, such as erbium, inside the cladding of pressurized water reactors. These new claddings are constituted by a liner of a zirconium base alloy slightly enriched in erbium between two liners of industrial zirconium alloys. Into the reactor core, the water dissociates at the surface of the cladding. So it is interesting to evaluate the interactions between the hydrogen released and the Zr-Er alloy. To do so, the Er-H-Zr ternary system has to be determined such similarly to its associated binaries. This can be done by experimental determination and by thermodynamic modelling. Both techniques were used in this work. Er-Zr and H-Zr have already been studied experimentally and modelled, but the Er-H binary system is almost unknown. So, we studied it experimentally. Then, it has been modelled using the Calphad method. We obtain a new evaluation of the Er-H binary system with phases limits rather different than what has been proposed in the literature. In order to determine the phase limits and, the potential existence of a ternary compound in the Er-H-Zr ternary system, an experimental study has been carried out. An original technique has been used to obtain the chemical compositions: ERDA combined with RBS. In this study, we propose a new isothermal section at 350 C of the Er-H-Zr ternary system. About the modelling, the compatibility of the three modelled binaries has been checked in order to optimize the ternary system by the projection of the three binaries. The calculation obtained is in good agreement with the experimental isothermal section at 350 C determined in our work. Finally, uniaxial tensile test campaigns have been conducted to evaluate the impact of erbium and/or hydrogen on the mechanical properties of an industrial zirconium pure alloy. We evidenced a hardening effect of erbium and hydrogen but these effects are not

  3. Magnetism and crystal fields in ternary superconductors

    International Nuclear Information System (INIS)

    Shenoy, G.K.; Crabtree, G.W.; Niarchos, D.; Behroozi, F.; Dunlap, B.D.; Hinks, D.; Noakes, D.R.

    1982-01-01

    In this paper, the present state of knowledge of crystalline electric field (CEF) in two important classes of ternary superconductors has been described. It is clear that in understanding the superconducting and magnetic behavior of RERh 4 B 4 , the CEF plays a very important role. Considerable importance has been given to the specific heat Schottky anomalies in deducing the position and degeneracy of various CEF levels. Interpretation of these data is made difficult because of complicated subtraction of lattice, electronic and superconducting specific heats. Furthermore, the purity of the sample is important in such studies. It is known that a few percent of Rh-B/sub x/, RERh 3 B 2 and RERh 6 B 4 are commonly present in RERh 4 B 4 , while Mo-Ch/sub x/, RE-Ch/sub x/ and RE 2 O 2 Ch phases occur in Chevrel phase compounds. Only single-crystal samples will lead to dependable specific heat data

  4. Synthesis of g-C{sub 3}N{sub 4}-based NaYF{sub 4}:Yb,Tm@TiO{sub 2} ternary composite with enhanced Vis/NIR-driven photocatalytic activities

    Energy Technology Data Exchange (ETDEWEB)

    Cheng, Erjian, E-mail: ejcheng6@gmail.com [Department of Materials Physics, Zhejiang Normal University, Jinhua, Zhejiang 321004 (China); Zhou, Shiqi; Li, Mohua [Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004 (China); Li, Zhengquan, E-mail: zqli@zjnu.edu.cn [Department of Materials Physics, Zhejiang Normal University, Jinhua, Zhejiang 321004 (China); Institute of Physical Chemistry, Zhejiang Normal University, Jinhua, Zhejiang 321004 (China)

    2017-07-15

    Highlights: • The g-C{sub 3}N{sub 4}-based NaYF{sub 4}:Yb,Tm@TiO{sub 2} nanocomposite was fabricated by a facile approach. • The as-prepared composites exhibit enhanced activities under Vis and/or NIR lights. • Upconversion and semiconductor heterojunction lie behind the improved photocatalysis. • Photocatalytic working mechanism of this ternary nanocomposite was proposed. - Abstract: Upconversion (UC) NaYF{sub 4}:Yb,Tm nanocrystals (NCs) are capable of converting low-energy near-infrared (NIR) photons to high-energy ultraviolet (UV) and visible (Vis) photons. Integration of NaYF{sub 4}:Yb,Tm with graphitic carbon nitride (g-C{sub 3}N{sub 4}) can extend the spectral response of g-C{sub 3}N{sub 4} to the NIR range. However, photocatalytic activity of NaYF{sub 4}:Yb,Tm/g-C{sub 3}N{sub 4} is still severely limited by the high recombination rate of photo-generated (PG) electrons and holes (e{sup –}/h{sup +}) in the g-C{sub 3}N{sub 4}. Herein, we report a facile approach to fabricate a ternary nanocomposite consisting of NaYF{sub 4}:Yb,Tm, TiO{sub 2} and g-C{sub 3}N{sub 4}. When NaYF{sub 4}:Yb,Tm NCs were coated with a TiO{sub 2} shell and sequentially assembled with g-C{sub 3}N{sub 4} nanosheets (NSs), a semiconductor heterojunction can be fabricated on the UC particles. The as-prepared nanocomposites possess an enhanced photocatalytic activity under Vis and/or NIR lights due to the formation of heterojunction and UC effect. The ternary nanocomposites have been characterized in detail and their photocatalytic mechanism is proposed. Such kind of ternary nanocomposites may provide a new scenario for the design and synthesis of composite photocatalysts for efficiently utilizing the Vis/NIR lights in environmental remedy.

  5. Materials Chemistry and Performance of Silicone-Based Replicating Compounds.

    Energy Technology Data Exchange (ETDEWEB)

    Brumbach, Michael T.; Mirabal, Alex James; Kalan, Michael; Trujillo, Ana B; Hale, Kevin

    2014-11-01

    Replicating compounds are used to cast reproductions of surface features on a variety of materials. Replicas allow for quantitative measurements and recordkeeping on parts that may otherwise be difficult to measure or maintain. In this study, the chemistry and replicating capability of several replicating compounds was investigated. Additionally, the residue remaining on material surfaces upon removal of replicas was quantified. Cleaning practices were tested for several different replicating compounds. For all replicating compounds investigated, a thin silicone residue was left by the replica. For some compounds, additional inorganic species could be identified in the residue. Simple solvent cleaning could remove some residue.

  6. True ternary fission in 310126X

    International Nuclear Information System (INIS)

    Banupriya, B.; Vijayaraghavan, K.R.; Balasubramaniam, M.

    2015-01-01

    All possible combinations are minimized by the two dimensional minimization process and minimized with respect to neutron numbers and proton numbers of the fragments. Potential energy is low and Q - value is high at true ternary fission region. It shows that true ternary mode is the dominant mode in the ternary fission of superheavy nuclei. Also, the results show that the fragments with neutron magic numbers are the dominant one in the ternary fission of superheavy nuclei whereas the fragments with proton magic numbers are the dominant one in the ternary fission of heavy nuclei

  7. The ternary system: Silicon-tantalum-uranium

    Energy Technology Data Exchange (ETDEWEB)

    Rogl, Peter, E-mail: peter.franz.rogl@univie.ac.a [Institute of Physical Chemistry, University of Vienna, A-1090 Wien, Waehringerstrasse 42 (Austria); Noel, Henri [Laboratoire de Chimie du Solide et Materiaux, UMR-CNRS 6226, Universite de Rennes I, Avenue du General Leclerc, F-35042 Rennes, Cedex (France)

    2010-09-01

    Phase equilibria in the ternary system Si-Ta-U have been established in an isothermal section at 1000 {sup o}C by optical microscopy, electron probe microanalysis and X-ray diffraction. Two novel ternary compounds were observed and were characterised by X-ray powder Rietveld refinement: stoichiometric {tau}{sub 1}-U{sub 2}Ta{sub 3}Si{sub 4} (U{sub 2}Mo{sub 3}Si{sub 4}-type, P2{sub 1}/c; a = 0.70011(1), b = 0.70046(1), c = 0.68584(1) nm, ss = 109.38(1); R{sub F} = 0.073, X-ray powder Rietveld refinement) and {tau}{sub 2}-U{sub 2-x}Ta{sub 3+x}Si{sub 4} at x {approx} 0.30 (Sc{sub 2}Re{sub 3}Si{sub 4}-type = partially ordered Zr{sub 5}Si{sub 4}-type, P4{sub 1}2{sub 1}2; a = b = 0.69717(3)(1), c = 1.28709(4) nm; R{sub F} = 0.056; X-ray single crystal data). Mutual solubility of U-silicides and Ta-silicides are found to be very small i.e. below about 1 at.%. Due to the equilibrium tie-line Ta{sub 2}Si-U(Ta), no compatibility exists between the U-rich silicides U{sub 3}Si or U{sub 3}Si{sub 2} and tantalum metal. Single crystals obtained from alloys slowly cooled from liquid (2000 {sup o}C), yielded a fully ordered compound U{sub 2}Ta{sub 2}Si{sub 3}C (unique structure type; Pmna, a = 0.68860(1); b = 2.17837(4); c = 0.69707(1) nm; R{sub F2} = 0.048).

  8. Microstructural characterization and phase transformation of ternary alloys near at Al{sub 3}Ti compound; Caracterizacion microestructural y transformaciones de fase de aleaciones ternareas cercanas al compuesto Al{sub 3}Ti

    Energy Technology Data Exchange (ETDEWEB)

    Angeles Ch, C. [Instituto Nacional de Investigaciones Nucleares. Depto.de Sintesis y Caracterizacion de Materiales. Carretera Mexico-Toluca Km. 36.5 C.P. 52045, Ocoyoacac, Edo. de Mexico (Mexico)

    1999-07-01

    This research work is related with the structural characteristic and compositional values of the crystalline phases, which are found in ternary alloys of Ti-Al-Fe and TI-Al-Cu. These types of alloys were obtained using a rapid solidification technique (10{sup 3}-10{sup 4} K/s) and pure elements such as Al, Ti, Fe and Cu (99.99%). These cooling velocities allow the formation of stable phases and small grain sizes (approximately in range of a few micras). The obtained results indicate the presence of Al{sub 3}Ti and others phases of L1{sub 2} type. These phases are commonly found in a matrix rich in A1. The microalloyed elements (Cu and Fe) substitute the aluminum in both kinds of phases. Alloys with low content of Cu show transition states from the tetragonal structure DO{sub 22} to the cubic phases L1{sub 2}. The structural characteristics of the alloys are related with some microhardness measurement. The results show that the presence of the L1{sub 2} phase tends to increase to hardness depending of the content of this phase.

  9. Fabrication of porous ethyl cellulose microspheres based on the acetone-glycerin-water ternary system: Controlling porosity via the solvent-removal mode.

    Science.gov (United States)

    Murakami, Masahiro; Matsumoto, Akihiro; Watanabe, Chie; Kurumado, Yu; Takama, Masashi

    2015-08-01

    Porous ethyl cellulose (EC) microspheres were prepared from the acetone-glycerin-water ternary system using an oil/water (O/W)-type emulsion solvent extraction method. The O/ W type emulsion was prepared using acetone dissolved ethyl cellulose as an oil phase and aqueous glycerin as a water phase. The effects of the different solvent extraction modes on the porosity of the microspheres were investigated. The specific surface area of the porous EC microspheres was estimated by the gas adsorption method. When the solvent was extracted rapidly by mixing the emulsion with water instantaneously, porous EC microspheres with a maximum specific surface area of 40.7±2.1 m2/g were obtained. On the other hand, when water was added gradually to the emulsion, the specific surface area of the fabricated microspheres decreased rapidly with an increase in the infusion period, with the area being 25-45% of the maximum value. The results of an analysis of the ternary phase diagram of the system suggested that the penetration of water and glycerin from the continuous phase to the dispersed phase before solidification affected the porosity of the fabricated EC microspheres.

  10. Synthesis and characterization of (Ni1-xCox)Se2 based ternary selenides as electrocatalyst for triiodide reduction in dye-sensitized solar cells

    Science.gov (United States)

    Theerthagiri, J.; Senthil, R. A.; Buraidah, M. H.; Raghavender, M.; Madhavan, J.; Arof, A. K.

    2016-06-01

    Ternary metal selenides of (Ni1-xCox)Se2 with 0≤x≤1 were synthesized by using one-step hydrothermal reduction route. The synthesized metal selenides were utilized as an efficient, low-cost platinum free counter electrode for dye-sensitized solar cells. The cyclic voltammetry and electrochemical impedance spectroscopy studies revealed that the Ni0.5Co0.5Se2 counter electrode exhibited higher electrocatalytic activity and lower charge transfer resistance at the counter electrode/electrolyte interface than the other compositions for reduction of triiodide to iodide. Ternary selenides of Ni0.5Co0.5Se2 offer a synergistic effect to the electrocatalytic activity for the reduction of triiodide that might be due to an increase in active catalytic sites and small charge transfer resistance. The DSSC with Ni0.5Co0.5Se2 counter electrode achieved a high power conversion efficiency of 6.02%, which is comparable with that of conventional platinum counter electrode (6.11%). This present investigation demonstrates the potential application of Ni0.5Co0.5Se2 as counter electrode in dye-sensitized solar cells.

  11. From crystal to compound: structure-based antimalarial drug discovery.

    Science.gov (United States)

    Drinkwater, Nyssa; McGowan, Sheena

    2014-08-01

    Despite a century of control and eradication campaigns, malaria remains one of the world's most devastating diseases. Our once-powerful therapeutic weapons are losing the war against the Plasmodium parasite, whose ability to rapidly develop and spread drug resistance hamper past and present malaria-control efforts. Finding new and effective treatments for malaria is now a top global health priority, fuelling an increase in funding and promoting open-source collaborations between researchers and pharmaceutical consortia around the world. The result of this is rapid advances in drug discovery approaches and technologies, with three major methods for antimalarial drug development emerging: (i) chemistry-based, (ii) target-based, and (iii) cell-based. Common to all three of these approaches is the unique ability of structural biology to inform and accelerate drug development. Where possible, SBDD (structure-based drug discovery) is a foundation for antimalarial drug development programmes, and has been invaluable to the development of a number of current pre-clinical and clinical candidates. However, as we expand our understanding of the malarial life cycle and mechanisms of resistance development, SBDD as a field must continue to evolve in order to develop compounds that adhere to the ideal characteristics for novel antimalarial therapeutics and to avoid high attrition rates pre- and post-clinic. In the present review, we aim to examine the contribution that SBDD has made to current antimalarial drug development efforts, covering hit discovery to lead optimization and prevention of parasite resistance. Finally, the potential for structural biology, particularly high-throughput structural genomics programmes, to identify future targets for drug discovery are discussed.

  12. Experimental determination of the phase equilibria in the Co-Fe-Zr ternary system

    International Nuclear Information System (INIS)

    Wang, C.P.; Yu, Y.; Zhang, H.H.; Hu, H.F.; Liu, X.J.

    2011-01-01

    Research highlights: → We determined four isothermal sections of the Co-Fe-Zr system from 1000 o C to 1300 o C. → No ternary compound was found in the Co-Fe-Zr ternary system. → The solubility of Fe in the liquid phase at 1300 o C is extremely large. → The (Co, Fe) 2 Zr phase form the continuous solution from Co-Zr side to Fe-Zr side. → The solubility of Zr in the fcc (Co, Fe) phase is extremely small. - Abstract: The phase equilibria in the Co-Fe-Zr ternary system were investigated by means of optical microscopy (OM), electron probe microanalysis (EPMA), X-ray diffraction (XRD), and differential scanning calorimetry (DSC) on equilibrated ternary alloys. Four isothermal sections of the Co-Fe-Zr ternary system at 1300 o C, 1200 o C, 1100 o C and 1000 o C were experimentally established. The experimental results indicate that (1) no ternary compound was found in this system; (2) the solubility of Fe in the liquid phase of the Co-rich corner at 1300 o C is extremely large; (3) the liquid phase in the Zr-rich corner and the (Co,Fe) 2 Zr phase form the continuous solid solutions from the Co-Zr side to the Fe-Zr side; (4) the solubility of Zr in the fcc (Co, Fe) phase is extremely small.

  13. Ternary System with Controlled Structure: A New Strategy toward Efficient Organic Photovoltaics.

    Science.gov (United States)

    Cheng, Pei; Wang, Rui; Zhu, Jingshuai; Huang, Wenchao; Chang, Sheng-Yung; Meng, Lei; Sun, Pengyu; Cheng, Hao-Wen; Qin, Meng; Zhu, Chenhui; Zhan, Xiaowei; Yang, Yang

    2018-02-01

    Recently, a new type of active layer with a ternary system has been developed to further enhance the performance of binary system organic photovoltaics (OPV). In the ternary OPV, almost all active layers are formed by simple ternary blend in solution, which eventually leads to the disordered bulk heterojunction (BHJ) structure after a spin-coating process. There are two main restrictions in this disordered BHJ structure to obtain higher performance OPV. One is the isolated second donor or acceptor domains. The other is the invalid metal-semiconductor contact. Herein, the concept and design of donor/acceptor/acceptor ternary OPV with more controlled structure (C-ternary) is reported. The C-ternary OPV is fabricated by a sequential solution process, in which the second acceptor and donor/acceptor binary blend are sequentially spin-coated. After the device optimization, the power conversion efficiencies (PCEs) of all OPV with C-ternary are enhanced by 14-21% relative to those with the simple ternary blend; the best PCEs are 10.7 and 11.0% for fullerene-based and fullerene-free solar cells, respectively. Moreover, the averaged PCE value of 10.4% for fullerene-free solar cell measured in this study is in great agreement with the certified one of 10.32% obtained from Newport Corporation. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Ternary Fission Studies by Correlation Measurements with Ternary Particles

    Science.gov (United States)

    Mutterer, Manfred

    2011-10-01

    The rare ternary fission process has been studied mainly by inclusive measurements of the energy distributions and fractional yields of the light charged particles (LCPs) from fission, or by experiments on the angular and energy correlation between LCPs and fission fragments (FFs). The present contribution presents a brief overview of more elaborate correlation measurements that comprise the emission of neutrons and γ rays with LCPs and FFs, or the coincident registration of two LCPs. These measurements have permitted identification of new modes of particle-accompanied fission, such as the population of excited states in LCPs, the formation of neutron-unstable nuclei as short-lived intermediate LCPs, as well as the sequential decay of particle-unstable LCPs and quaternary fission. Furthermore, the neutron multiplicity numbers bar ν (A) and distributions of fragment masses A, measured for the ternary fission modes with various LCP isotopes, give a valuable hint of the role played by nuclear shell structure in the fission process near scission. Finally, two different hitherto unknown asymmetries in ternary α-particle emission with respect to the fission axis, called the TRI and ROT effect, were studied in fission reactions induced by polarised cold neutrons.

  15. Adiabatic pipelining: a key to ternary computing with quantum dots

    International Nuclear Information System (INIS)

    Pecar, P; Zimic, N; Mraz, M; Lebar Bajec, I; Ramsak, A

    2008-01-01

    The quantum-dot cellular automaton (QCA), a processing platform based on interacting quantum dots, was introduced by Lent in the mid-1990s. What followed was an exhilarating period with the development of the line, the functionally complete set of logic functions, as well as more complex processing structures, however all in the realm of binary logic. Regardless of these achievements, it has to be acknowledged that the use of binary logic is in computing systems mainly the end result of the technological limitations, which the designers had to cope with in the early days of their design. The first advancement of QCAs to multi-valued (ternary) processing was performed by Lebar Bajec et al, with the argument that processing platforms of the future should not disregard the clear advantages of multi-valued logic. Some of the elementary ternary QCAs, necessary for the construction of more complex processing entities, however, lead to a remarkable increase in size when compared to their binary counterparts. This somewhat negates the advantages gained by entering the ternary computing domain. As it turned out, even the binary QCA had its initial hiccups, which have been solved by the introduction of adiabatic switching and the application of adiabatic pipeline approaches. We present here a study that introduces adiabatic switching into the ternary QCA and employs the adiabatic pipeline approach to successfully solve the issues of elementary ternary QCAs. What is more, the ternary QCAs presented here are sizewise comparable to binary QCAs. This in our view might serve towards their faster adoption.

  16. Adiabatic pipelining: a key to ternary computing with quantum dots

    Science.gov (United States)

    Pečar, P.; Ramšak, A.; Zimic, N.; Mraz, M.; Lebar Bajec, I.

    2008-12-01

    The quantum-dot cellular automaton (QCA), a processing platform based on interacting quantum dots, was introduced by Lent in the mid-1990s. What followed was an exhilarating period with the development of the line, the functionally complete set of logic functions, as well as more complex processing structures, however all in the realm of binary logic. Regardless of these achievements, it has to be acknowledged that the use of binary logic is in computing systems mainly the end result of the technological limitations, which the designers had to cope with in the early days of their design. The first advancement of QCAs to multi-valued (ternary) processing was performed by Lebar Bajec et al, with the argument that processing platforms of the future should not disregard the clear advantages of multi-valued logic. Some of the elementary ternary QCAs, necessary for the construction of more complex processing entities, however, lead to a remarkable increase in size when compared to their binary counterparts. This somewhat negates the advantages gained by entering the ternary computing domain. As it turned out, even the binary QCA had its initial hiccups, which have been solved by the introduction of adiabatic switching and the application of adiabatic pipeline approaches. We present here a study that introduces adiabatic switching into the ternary QCA and employs the adiabatic pipeline approach to successfully solve the issues of elementary ternary QCAs. What is more, the ternary QCAs presented here are sizewise comparable to binary QCAs. This in our view might serve towards their faster adoption.

  17. Application of Analytic Geometry to Ternary and Quaternary Diagrams.

    Science.gov (United States)

    MacCarthy, Patrick

    1986-01-01

    Advantages of representing ternary and quaternary composition diagrams by means of rectangular coordinates were pointed out in a previous paper (EJ 288 693). A further advantage of that approach is that analytic geometry, based on rectangular coordinates, is directly applicable as demonstrated by the examples presented. (JN)

  18. Acaricidal Activity of Eugenol Based Compounds against Scabies Mites

    Science.gov (United States)

    Pasay, Cielo; Mounsey, Kate; Stevenson, Graeme; Davis, Rohan; Arlian, Larry; Morgan, Marjorie; Vyszenski-Moher, DiAnn; Andrews, Kathy; McCarthy, James

    2010-01-01

    Backgound Human scabies is a debilitating skin disease caused by the “itch mite” Sarcoptes scabiei. Ordinary scabies is commonly treated with topical creams such as permethrin, while crusted scabies is treated with topical creams in combination with oral ivermectin. Recent reports of acaricide tolerance in scabies endemic communities in Northern Australia have prompted efforts to better understand resistance mechanisms and to identify potential new acaricides. In this study, we screened three essential oils and four pure compounds based on eugenol for acaricidal properties. Methodology/Principal Findings Contact bioassays were performed using live permethrin-sensitive S. scabiei var suis mites harvested from pigs and permethrin-resistant S. scabiei var canis mites harvested from rabbits. Results of bioassays showed that clove oil was highly toxic against scabies mites. Nutmeg oil had moderate toxicity and ylang ylang oil was the least toxic. Eugenol, a major component of clove oil and its analogues –acetyleugenol and isoeugenol, demonstrated levels of toxicity comparable to benzyl benzoate, the positive control acaricide, killing mites within an hour of contact. Conclusions The acaricidal properties demonstrated by eugenol and its analogues show promise as leads for future development of alternative topical acaricides to treat scabies. PMID:20711455

  19. Acaricidal activity of eugenol based compounds against scabies mites.

    Directory of Open Access Journals (Sweden)

    Cielo Pasay

    2010-08-01

    Full Text Available Human scabies is a debilitating skin disease caused by the "itch mite" Sarcoptes scabiei. Ordinary scabies is commonly treated with topical creams such as permethrin, while crusted scabies is treated with topical creams in combination with oral ivermectin. Recent reports of acaricide tolerance in scabies endemic communities in Northern Australia have prompted efforts to better understand resistance mechanisms and to identify potential new acaricides. In this study, we screened three essential oils and four pure compounds based on eugenol for acaricidal properties.Contact bioassays were performed using live permethrin-sensitive S. scabiei var suis mites harvested from pigs and permethrin-resistant S. scabiei var canis mites harvested from rabbits. Results of bioassays showed that clove oil was highly toxic against scabies mites. Nutmeg oil had moderate toxicity and ylang ylang oil was the least toxic. Eugenol, a major component of clove oil and its analogues--acetyleugenol and isoeugenol, demonstrated levels of toxicity comparable to benzyl benzoate, the positive control acaricide, killing mites within an hour of contact.The acaricidal properties demonstrated by eugenol and its analogues show promise as leads for future development of alternative topical acaricides to treat scabies.

  20. Acaricidal activity of eugenol based compounds against scabies mites.

    Science.gov (United States)

    Pasay, Cielo; Mounsey, Kate; Stevenson, Graeme; Davis, Rohan; Arlian, Larry; Morgan, Marjorie; Vyszenski-Moher, Diann; Andrews, Kathy; McCarthy, James

    2010-08-11

    Human scabies is a debilitating skin disease caused by the "itch mite" Sarcoptes scabiei. Ordinary scabies is commonly treated with topical creams such as permethrin, while crusted scabies is treated with topical creams in combination with oral ivermectin. Recent reports of acaricide tolerance in scabies endemic communities in Northern Australia have prompted efforts to better understand resistance mechanisms and to identify potential new acaricides. In this study, we screened three essential oils and four pure compounds based on eugenol for acaricidal properties. Contact bioassays were performed using live permethrin-sensitive S. scabiei var suis mites harvested from pigs and permethrin-resistant S. scabiei var canis mites harvested from rabbits. Results of bioassays showed that clove oil was highly toxic against scabies mites. Nutmeg oil had moderate toxicity and ylang ylang oil was the least toxic. Eugenol, a major component of clove oil and its analogues--acetyleugenol and isoeugenol, demonstrated levels of toxicity comparable to benzyl benzoate, the positive control acaricide, killing mites within an hour of contact. The acaricidal properties demonstrated by eugenol and its analogues show promise as leads for future development of alternative topical acaricides to treat scabies.

  1. Dynamic frailty models based on compound birth-death processes.

    Science.gov (United States)

    Putter, Hein; van Houwelingen, Hans C

    2015-07-01

    Frailty models are used in survival analysis to model unobserved heterogeneity. They accommodate such heterogeneity by the inclusion of a random term, the frailty, which is assumed to multiply the hazard of a subject (individual frailty) or the hazards of all subjects in a cluster (shared frailty). Typically, the frailty term is assumed to be constant over time. This is a restrictive assumption and extensions to allow for time-varying or dynamic frailties are of interest. In this paper, we extend the auto-correlated frailty models of Henderson and Shimakura and of Fiocco, Putter and van Houwelingen, developed for longitudinal count data and discrete survival data, to continuous survival data. We present a rigorous construction of the frailty processes in continuous time based on compound birth-death processes. When the frailty processes are used as mixtures in models for survival data, we derive the marginal hazards and survival functions and the marginal bivariate survival functions and cross-ratio function. We derive distributional properties of the processes, conditional on observed data, and show how to obtain the maximum likelihood estimators of the parameters of the model using a (stochastic) expectation-maximization algorithm. The methods are applied to a publicly available data set. © The Author 2015. Published by Oxford University Press. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  2. Crystal growth iron based pnictide compounds; Kristallzuechtung eisenbasierter Pniktidverbindungen

    Energy Technology Data Exchange (ETDEWEB)

    Nacke, Claudia

    2012-11-15

    The present work is concerned with selected crystal growth method for producing iron-based superconductors. The first part of this work introduces significant results of the crystal growth of BaFe{sub 2}As{sub 2} and the cobalt-substituted compound Ba(Fe{sub 1-x}Co{sub x}){sub 2}As{sub 2} with x{sub Nom} = 0.025, 0.05, 0.07, 0.10 and 0.20. For this purpose a test procedure for the vertical Bridgman method was developed. The second part of this work contains substantial results for growing a crystal of LiFeAs and the nickel-substituted compound Li{sub 1-δ}Fe{sub 1-x}Ni{sub x}As with x{sub Nom} = 0.015, 0.025, 0.05, 0.06, 0.075 and 0.10. For this purpose a test procedure for the melt flow process has been developed successfully. [German] Die vorliegende Arbeit befasst sich mit ausgewaehlten Kristallzuechtungsverfahren zur Herstellung eisenbasierter Supraleiter. Der erste Teil dieser Arbeit fuehrt wesentliche Ergebnisse der Kristallzuechtung von BaFe{sub 2}As{sub 2} sowie der Cobalt-substituierten Verbindung Ba(Fe{sub 1-x}Co{sub x}){sub 2}As{sub 2} mit x{sub Nom} =0.025, 0.05, 0.07, 0.10 und 0.20 auf. Hierzu wurde eine Versuchsdurchfuehrung fuer das vertikale Bridgman-Verfahren konzipiert, mit welcher erfolgreich Kristalle dieser Zusammensetzungen gezuechtet wurden. Der zweite Teil dieser Arbeit enthaelt wesentliche Ergebnisse zur Kristallzuechtung von LiFeAs sowie der Nickel-substituierten Verbindung Li{sub 1-δ}Fe{sub 1-x}Ni{sub x}As mit x{sub Nom} = 0.015, 0.025, 0.05, 0.06, 0.075 und 0.10. Hierfuer wurde erfolgreich eine Versuchsdurchfuehrung fuer das Schmelzfluss-Verfahren entwickelt.

  3. Stimulation of Ideas through Compound-Based Bibliometrics: Counting and Mapping Chemical Compounds for Analyzing Research Topics in Chemistry, Physics, and Materials Science

    Science.gov (United States)

    Barth, Andreas; Marx, Werner

    2012-01-01

    Counting compounds (rather than papers or citations) offers a new perspective for quantitative analyses of research activities. First of all, we can precisely define (compound-related) research topics and access the corresponding publications (scientific papers as well as patents) as a measure of research activity. We can also establish the time evolution of the publications dealing with specific compounds or compound classes. Moreover, the mapping of compounds by establishing compound-based landscapes has some potential to visualize the compound basis of research topics for further research activities. We have analyzed the rare earth compounds to give an example of a broad compound class. We present the number of the currently existing compounds and of the corresponding publications as well as the time evolution of the papers and patents. Furthermore, we have analyzed the rare earth cuprates (copper oxides) as an example of a narrower compound class to demonstrate the potential of mapping compounds by compound-based landscapes. We have quantified the various element combinations of the existing compounds and revealed all element combinations not yet realized in the synthesis within this compound class. Finally, we have analyzed the quasicrystal compound category as an example of a compound class that is not defined by a specific element combination or a molecular structure. PMID:24551517

  4. Stimulation of Ideas through Compound-Based Bibliometrics: Counting and Mapping Chemical Compounds for Analyzing Research Topics in Chemistry, Physics, and Materials Science.

    Science.gov (United States)

    Barth, Andreas; Marx, Werner

    2012-12-01

    Counting compounds (rather than papers or citations) offers a new perspective for quantitative analyses of research activities. First of all, we can precisely define (compound-related) research topics and access the corresponding publications (scientific papers as well as patents) as a measure of research activity. We can also establish the time evolution of the publications dealing with specific compounds or compound classes. Moreover, the mapping of compounds by establishing compound-based landscapes has some potential to visualize the compound basis of research topics for further research activities. We have analyzed the rare earth compounds to give an example of a broad compound class. We present the number of the currently existing compounds and of the corresponding publications as well as the time evolution of the papers and patents. Furthermore, we have analyzed the rare earth cuprates (copper oxides) as an example of a narrower compound class to demonstrate the potential of mapping compounds by compound-based landscapes. We have quantified the various element combinations of the existing compounds and revealed all element combinations not yet realized in the synthesis within this compound class. Finally, we have analyzed the quasicrystal compound category as an example of a compound class that is not defined by a specific element combination or a molecular structure.

  5. Some new ternary linear codes

    Directory of Open Access Journals (Sweden)

    Rumen Daskalov

    2017-07-01

    Full Text Available Let an $[n,k,d]_q$ code be a linear code of length $n$, dimension $k$ and minimum Hamming distance $d$ over $GF(q$. One of the most important problems in coding theory is to construct codes with optimal minimum distances. In this paper 22 new ternary linear codes are presented. Two of them are optimal. All new codes improve the respective lower bounds in [11].

  6. Nearly Ternary Quadratic Higher Derivations on Non-Archimedean Ternary Banach Algebras: A Fixed Point Approach

    Directory of Open Access Journals (Sweden)

    M. Eshaghi Gordji

    2011-01-01

    Full Text Available We investigate the stability and superstability of ternary quadratic higher derivations in non-Archimedean ternary algebras by using a version of fixed point theorem via quadratic functional equation.

  7. One-pot, facile fabrication of a Ag3PO4-based ternary Z-scheme photocatalyst with excellent visible-light photoactivity and anti-photocorrosion performance

    Science.gov (United States)

    Xie, Mingyuan; Zhang, Tailiang

    2018-04-01

    Ag3PO4 can-not be widely used as an efficient photocatalyst in practical applications because of its susceptibility to photocorrosion. In this study, a novel, ternary Z-scheme photocatalytic system containing graphene oxide (GO), Ag3PO4 and SnS2 was fabricated by a one-pot, mild, in-situ precipitation method successfully. Using Rhodamine B (RhB) as the target of elimination, GO/Ag3PO4/SnS2 exhibited outstanding photocatalytic and anti-photocorrosion properties compared with those of Ag3PO4, Ag3PO4/SnS2 and GO/Ag3PO4. RhB was thoroughly degraded over the optimized GO/Ag3PO4/SnS2 nanocomposite after only 15 min under visible-light irradiation; this result is approximately 2.14, 3.33 and 5.83 times faster than that of GO/Ag3PO4, Ag3PO4/SnS2 and Ag3PO4, respectively. After three reuses, the photocatalytic activity of the ternary composite slightly decreased but remained 2.36, 4.08 and 12.70 times higher than those of the reused GO/Ag3PO4, Ag3PO4/SnS2 and Ag3PO4, respectively. In this system, the efficient separation and migration of the photoinduced current carriers in Ag3PO4 was realized through a double Z-scheme electron-transfer mechanism in which the GO nanosheets acted as the photocatalyst and electron mediator, thereby enhancing the photoactivity and stability of Ag3PO4. The present study provides a new perspective for enhancing photocatalytic and anti-photocorrosion performances in perishable photocatalysts for organic sewage and other environmental contamination treatments.

  8. Compounds in dictionary-based Cross-language information retrieval_revised

    Directory of Open Access Journals (Sweden)

    2002-01-01

    Full Text Available Compound words form an important part of natural language. From the cross-lingual information retrieval (CLIR point of view it is important that many natural languages are highly productive with compounds, and translation resources cannot include entries for all compounds. Also, compounds are often content bearing words in a sentence. In Swedish, German and Finnish roughly one tenth of the words in a text prepared for information retrieval purposes are compounds. Important research questions concerning compound handling in dictionary-based cross-language information retrieval are 1 compound splitting into components, 2 normalisation of components, 3 translation of components and 4 query structuring for compounds and their components in the target language. The impact of compound processing on the performance of the cross-language information retrieval process is evaluated in this study and the results indicate that the effect is clearly positive.

  9. Ternary forecast of heavy snowfall in the Honam area, Korea

    Science.gov (United States)

    Sohn, Keon Tae; Lee, Jeong Hyeong; Cho, Young Seuk

    2009-03-01

    The objective of this study is to improve the statistical modeling for the ternary forecast of heavy snowfall in the Honam area in Korea. The ternary forecast of heavy snowfall consists of one of three values, 0 for less than 50 mm, 1 for an advisory (50-150 mm), and 2 for a warning (more than 150 mm). For our study, the observed daily snow amounts and the numerical model outputs for 45 synoptic factors at 17 stations in the Honam area during 5 years (2001 to 2005) are used as observations and potential predictors respectively. For statistical modeling and validation, the data set is divided into training data and validation data by cluster analysis. A multi-grade logistic regression model and neural networks are separately applied to generate the probabilities of three categories based on the model output statistic (MOS) method. Two models are estimated by the training data and tested by the validation data. Based on the estimated probabilities, three thresholds are chosen to generate ternary forecasts. The results are summarized in 3×3 contingency tables and the results of the three-grade logistic regression model are compared to those of the neural networks model. According to the model training and model validation results, the estimated three-grade logistic regression model is recommended as a ternary forecast model for heavy snowfall in the Honam area.

  10. Evaluation of ternary blended cements for use in transportation concrete structures

    Science.gov (United States)

    Gilliland, Amanda Louise

    designing ternary blended cements more acceptable by eliminating arbitrary limitations for supplementary cementitious materials (SCMs) use and changing to performance-based standards. Performance-based standards require trial batching of concrete mixture designs, which can be used to optimize ternary combinations of portland cement and SCMs. States should be aware of various SCMs that are appropriate for the project type and its environment.

  11. Mechanochemically prepared ternary hybrid cathode material for lithium batteries

    International Nuclear Information System (INIS)

    Posudievsky, Oleg Yu; Kozarenko, Olga A.; Dyadyun, Vyacheslav S.; Jorgensen, Scott W.; Spearot, James A.; Koshechko, Vyacheslav G.; Pokhodenko, Vitaly D.

    2013-01-01

    Graphical abstract: The presence of macromolecules of an ion-conducting polymer in the composition of the ternary nanocomposite PPy–PEO/V 2 O 5 promotes interfacial transfer of lithium ions and also facilitates faster transport inside the particles of the nanocomposite. -- Highlights: • Two- and three component nanocomposites are prepared via a solvent-free mechanochemical synthesis. • The nanocomposites retain their capacity above 200 mA h g −1 for at least one hundred cycles. • The presence of PEO promotes interfacial transfer of lithium ions and facilitates faster transport inside the nanocomposite. -- Abstract: Ternary host–guest nanocomposite based on vanadium oxide and two polymers with different types of conductivity (ionic and electronic) – polypyrrole (PPy) and polyethylene oxide (PEO) – is prepared by solventless mechanochemical synthesis. The nanocomposite can be reversibly cycled with a specific capacity of ∼200 mA h g −1 for at least one hundred cycles of full charge–discharge as the active component of the positive electrode of lithium batteries. Electrochemical performance of ternary PPy 0.1 PEO 0.15 V 2 O 5 is compared with two-component analog PPy 0.1 V 2 O 5 . The presence of macromolecules of an ion-conducting polymer in the composition of the ternary nanocomposite PPy 0.1 PEO 0.15 V 2 O 5 promotes interfacial transfer of lithium ions and also facilitates faster transport inside the particles of the nanocomposite

  12. Ternary and senary representations using DNA double-crossover tiles.

    Science.gov (United States)

    Kim, Byeonghoon; Jo, Soojin; Son, Junyoung; Kim, Junghoon; Kim, Min Hyeok; Hwang, Si Un; Dugasani, Sreekantha Reddy; Kim, Byung-Dong; Liu, Wing Kam; Kim, Moon Ki; Park, Sung Ha

    2014-03-14

    The information capacity of DNA double-crossover (DX) tiles was successfully increased beyond a binary representation to higher base representations. By controlling the length and the position of DNA hairpins on the DX tile, ternary and senary (base-3 and base-6) digit representations were realized and verified by atomic force microscopy. Also, normal mode analysis was carried out to study the mechanical characteristics of each structure.

  13. Maxwell-Stefan diffusion coefficient estimation for ternary systems: an ideal ternary alcohol system.

    Science.gov (United States)

    Allie-Ebrahim, Tariq; Zhu, Qingyu; Bräuer, Pierre; Moggridge, Geoff D; D'Agostino, Carmine

    2017-06-21

    The Maxwell-Stefan model is a popular diffusion model originally developed to model diffusion of gases, which can be considered thermodynamically ideal mixtures, although its application has been extended to model diffusion in non-ideal liquid mixtures as well. A drawback of the model is that it requires the Maxwell-Stefan diffusion coefficients, which are not based on measurable quantities but they have to be estimated. As a result, numerous estimation methods, such as the Darken model, have been proposed to estimate these diffusion coefficients. However, the Darken model was derived, and is only well defined, for binary systems. This model has been extended to ternary systems according to two proposed forms, one by R. Krishna and J. M. van Baten, Ind. Eng. Chem. Res., 2005, 44, 6939-6947 and the other by X. Liu, T. J. H. Vlugt and A. Bardow, Ind. Eng. Chem. Res., 2011, 50, 10350-10358. In this paper, the two forms have been analysed against the ideal ternary system of methanol/butan-1-ol/propan-1-ol and using experimental values of self-diffusion coefficients. In particular, using pulsed gradient stimulated echo nuclear magnetic resonance (PGSTE-NMR) we have measured the self-diffusion coefficients in various methanol/butan-1-ol/propan-1-ol mixtures. The experimental values of self-diffusion coefficients were then used as the input data required for the Darken model. The predictions of the two proposed multicomponent forms of this model were then compared to experimental values of mutual diffusion coefficients for the ideal alcohol ternary system. This experimental-based approach showed that the Liu's model gives better predictions compared to that of Krishna and van Baten, although it was only accurate to within 26%. Nonetheless, the multicomponent Darken model in conjunction with self-diffusion measurements from PGSTE-NMR represents an attractive method for a rapid estimation of mutual diffusion in multicomponent systems, especially when compared to exhaustive

  14. On Some Ternary LCD Codes

    OpenAIRE

    Darkunde, Nitin S.; Patil, Arunkumar R.

    2018-01-01

    The main aim of this paper is to study $LCD$ codes. Linear code with complementary dual($LCD$) are those codes which have their intersection with their dual code as $\\{0\\}$. In this paper we will give rather alternative proof of Massey's theorem\\cite{8}, which is one of the most important characterization of $LCD$ codes. Let $LCD[n,k]_3$ denote the maximum of possible values of $d$ among $[n,k,d]$ ternary $LCD$ codes. In \\cite{4}, authors have given upper bound on $LCD[n,k]_2$ and extended th...

  15. Towards large-scale production of solution-processed organic tandem modules based on ternary composites: Design of the intermediate layer, device optimization and laser based module processing

    DEFF Research Database (Denmark)

    Li, Ning; Kubis, Peter; Forberich, Karen

    2014-01-01

    on commercially available materials, which enhances the absorption of poly(3-hexylthiophene) (P3HT) and as a result increase the PCE of the P3HT-based large-scale OPV devices; 3. laser-based module processing, which provides an excellent processing resolution and as a result can bring the power conversion...... efficiency (PCE) of mass-produced organic photovoltaic (OPV) devices close to the highest PCE values achieved for lab-scale solar cells through a significant increase in the geometrical fill factor. We believe that the combination of the above mentioned concepts provides a clear roadmap to push OPV towards...

  16. Partially fluorinated aarylene polyethers and their ternary blends with PBI and H3PO4

    DEFF Research Database (Denmark)

    Li, Qingfeng; Jensen, Jens Oluf; Pan, Chao

    2008-01-01

    Ternary blend membranes based on sulphonated partially fluorinated arylene polyether, polybenzimidazole (PBI) and phosphoric acid were prepared and characterised as electrolyte for high temperature proton exchange membrane fuel cells. Partially fluorinated arylene polyether was first prepared from......% and modulus of 50 MPa at 150 degrees C. Based on these ternary membranes large MEAs with an active area of 256 cm(2) have been prepared for a 2 kW(el) stack showing good performance and reproducibility....

  17. Highly Efficient Electrocatalysts for Oxygen Reduction Reaction Based on 1D Ternary Doped Porous Carbons Derived from Carbon Nanotube Directed Conjugated Microporous Polymers

    KAUST Repository

    He, Yafei

    2016-10-11

    © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.One-dimensional (1D) porous materials have shown great potential for gas storage and separation, sensing, energy storage, and conversion. However, the controlled approach for preparation of 1D porous materials, especially porous organic materials, still remains a great challenge due to the poor dispersibility and solution processability of the porous materials. Here, carbon nanotube (CNT) templated 1D conjugated microporous polymers (CMPs) are prepared using a layer-by-layer method. As-prepared CMPs possess high specific surface areas of up to 623 m2 g-1 and exhibit strong electronic interactions between p-type CMPs and n-type CNTs. The CMPs are used as precursors to produce heteroatom-doped 1D porous carbons through direct pyrolysis. As-produced ternary heteroatom-doped (B/N/S) 1D porous carbons possess high specific surface areas of up to 750 m2 g-1, hierarchical porous structures, and excellent electrochemical-catalytic performance for oxygen reduction reaction. Both of the diffusion-limited current density (4.4 mA cm-2) and electron transfer number (n = 3.8) for three-layered 1D porous carbons are superior to those for random 1D porous carbon. These results demonstrate that layered and core-shell type 1D CMPs and related heteroatom-doped 1D porous carbons can be rationally designed and controlled prepared for high performance energy-related applications.

  18. Experimental investigation of the Ag–Bi–I ternary system and thermodynamic properties of the ternary phases

    International Nuclear Information System (INIS)

    Mashadieva, Leyla F.; Aliev, Ziya S.; Shevelkov, Andrei V.; Babanly, Mahammad B.

    2013-01-01

    Highlights: ► The self-consistent phase diagram of the Ag–Bi–I system is constructed. ► Ag 2 BiI 5 and AgBi 2 I 7 are the only ternary phases of the system. ► Standard thermodynamic functions of formation and the standard entropies of Ag 2 BiI 5 and AgBi 2 I 7 are calculated. - Abstract: The phase equilibriums in the Ag–Bi–I ternary system and thermodynamic properties of the ternary phases were experimentally determined by using DTA and XRD techniques and EMF measurements with the Ag 4 RbI 5 solid electrolyte. According to the obtained experimental results, the polythermal sections of the ternary phase diagram, its isothermal section at 300 K as well as the projection of the liquids surface have been revised. The fields of the primary crystallization and types and coordinates of nonvariant and monovariant equilibriums were determined. The partial molar functions of silver iodide and silver in the alloys as well as the standard thermodynamic functions of formation and the standard entropies of Ag 2 BiI 5 and AgBi 2 I 7 were calculated based on EMF measurements.

  19. A label-free electrochemical immunosensor based on the novel signal amplification system of AuPdCu ternary nanoparticles functionalized polymer nanospheres.

    Science.gov (United States)

    Yan, Qin; Yang, Yuying; Tan, Zhaoling; Liu, Qing; Liu, Hui; Wang, Ping; Chen, Lei; Zhang, Daopeng; Li, Yueyun; Dong, Yunhui

    2018-04-30

    A sensitive label-free electrochemical immunosensor was designed using a novel signal amplification system for quantitative detecting hepatitis B surface antigen (HBsAg). Nitrogen-doped graphene quantum dots (N-GQDs) supported surfactant-free AuPdCu ternary nanoparticles (AuPdCu/N-GQDs), which featured with good conductivity and excellent catalytic properties for the reduction of hydrogen peroxide (H 2 O 2 ), was synthesized by a simple and benign hydrothermal procedure. At the same time, the electroactive polymer nanospheres (PS) was synthesized by infinite coordination polymers of ferrocenedicarboxylic acid, which could play as carrier and electronic mediator to load AuPdCu/N-GQDs. The PS not only improved the ability to load antibodies because of the good biocompatibility, but also accelerated electron transport of the electrode interface attribute to plentiful ferrocene unit. Thus, the prepared AuPdCu/N-GQDs@PS has abilities of good biocompatibility, catalytic activity and electrical conductivity to be applied as transducing materials to amplify electrochemical signal in detection of HBsAg. Under optimal conditions, the fabricated immunosensor exhibited high sensitivity and stability in the detection of HBsAg. A linear relationship between current signals and the concentrations of HBsAg was obtained in the range from 10fg/mL to 50ng/mL and the detection limit of HBsAg was 3.3fg/mL (signal-to-noise ratio of 3). Moreover, the designed immunosensor with excellent selectivity, reproducibility and stability shows excellent performance in detection of human serum samples. Furthermore, this label-free electrochemical immunosensor has promising application in clinical diagnosis of HBsAg. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Ternary Electrochemiluminescence System Based on Rubrene Microrods as Luminophore and Pt Nanomaterials as Coreaction Accelerator for Ultrasensitive Detection of MicroRNA from Cancer Cells.

    Science.gov (United States)

    Liu, Jia-Li; Tang, Zhi-Ling; Zhuo, Ying; Chai, Ya-Qin; Yuan, Ruo

    2017-09-05

    As the only endogenous coreactant in the electrochemiluminescence (ECL) system, the dissolved O 2 was the ideal candidate due to the mild reaction and easy operation, but compared to S 2 O 8 2- , the dissolved O 2 with weaker redox activity suffers from the poor enhancement effect of the luminophore, which restricted the further application in bioanalysis. Here, a high-intense ECL signal was gained by the employing of Pt nanomaterials as a coreaction accelerator to generate more of the intermediate of dissolved O 2 to promote the coreaction efficiency. On the basis of a new ternary ECL system of Pt nanomaterials as the coreaction accelerator, dissolved O 2 as the coreactant, and a neotype rubrene microrods as the luminophore, an efficient "on-off-on" solid-state ECL switch platfrom was designed for ultrasensitive microRNA (miRNA) detection with a background reduction strategy of ferrocene-labeled single-stranded DNA (Fc-DNA) as a quencher. In the presence of miRNA 141, the Pt nanoparticles labeled hairpin (HP1/PtNPs) was opened to produce plenty of Pt nanoparticles labeled output DNA (S1/PtNPs) and release the miRNA-141 to participate in the next cycle. Then, the S1/PtNPs were captured on the surface of the electrode by the complementary strand to obtain the super "signal on" state with extremely high ECL signal. This novel solid-state ECL platform exhibited excellent sensitivity from 10 aM to 100 pM with a detection limit of 2.1 aM, which provided a new approach for ultrasensitive ECL bioanalysis.

  1. Ternary system of cesium, rubidium and lead iodides

    International Nuclear Information System (INIS)

    Volchanskaya, V.V.; Dunaeva, T.I.; Il'yasov, I.I.

    1990-01-01

    Meltability diagram of ternary system (CsI) 2 -(RbI) 2 -PbI 2 has been studied. The liquidus of the given system consists of crystallization fields of solid solutions (CsI-RbI) and (CsI·PbI 2 -RbI-PbI 2 ), fields of incongruently melting compounds 9RbI·PbI 2 , 4CsI·PbI 2 and field of PbI 2 component. In the system two nonvariant points at 410 and 380 deg C are detected

  2. Physical, mechanical and neutron shielding properties of h-BN/Gd2O3/HDPE ternary nanocomposites

    Science.gov (United States)

    İrim, Ş. Gözde; Wis, Abdulmounem Alchekh; Keskin, M. Aker; Baykara, Oktay; Ozkoc, Guralp; Avcı, Ahmet; Doğru, Mahmut; Karakoç, Mesut

    2018-03-01

    In order to prepare an effective neutron shielding material, not only neutron but also gamma absorption must be taken into account. In this research, a polymer nanocomposite based novel type of multifunctional neutron shielding material is designed and fabricated. For this purpose, high density polyethylene (HDPE) was compounded with different amounts of hexagonal boron nitride (h-BN) and Gd2O3 nanoparticles having average particle size of 100 nm using melt-compounding technique. The mechanical, thermal and morphological properties of nanocomposites were investigated. As filler content increased, the absorption of both neutron and gamma fluxes increased despite fluctuating neutron absorption curves. Adding h-BN and Gd2O3 nano particles had a significant influence on both neutron and gamma attenuation properties (Σ, cm-1 and μ/ρ, cm-2/g) of ternary shields and they show an enhancement of 200-280%, 14-52% for neutron and gamma radiations, respectively, in shielding performance.

  3. Pseudo-ternary phase diagram in the Na2O-Na2O2-NaOH system

    International Nuclear Information System (INIS)

    Saito, Jun-ichi; Tendo, Masayuki; Aoto, Kazumi

    1997-10-01

    Generally, the phase diagrams are always used to understand the present state of compounds at certain temperature. In order to understand the corrosion behavior of structural material for FBR by main sodium compounds (Na 2 O, Na 2 O 2 and NaOH), it is very important to comprehend the phase diagrams of their compounds. However, only Na 2 O-NaOH pseudo-binary phase diagram had been investigated previously in this system. There is no study of other pseudo-binary or ternary phase diagrams in the Na 2 O-Na 2 O 2 -NaOH system. In this study, in order to clarify the present states of their compounds at certain temperatures, the pseudo-binary and ternary phase diagrams in the Na 2 O-Na 2 O 2 -NaOH system were prepared. A series of thermal analyses with binary and ternary component system has been carried out using the differential scanning calorimetry (DSC). The liquidus temperature and ternary eutectic temperatures were confirmed by these measurements. The beneficial indications for constructing phase diagrams were obtained from these experiments. On the basis of these results, the interaction parameters between compounds which were utilized for the Thermo-Calc calculation were optimized. Thermo-Calc is one of thermodynamic calculation software. Consequently the accurate pseudo-binary and ternary phase diagrams were indicated using the optimized parameters. (author)

  4. Advances in Base-Free Oxidation of Bio-Based Compounds on Supported Gold Catalysts

    Directory of Open Access Journals (Sweden)

    Robert Wojcieszak

    2017-11-01

    Full Text Available The oxidation of bio-based molecules in general, and of carbohydrates and furanics in particular, is a highly attractive process. The catalytic conversion of renewable compounds is of high importance. Acids and other chemical intermediates issued from oxidation processes have many applications related, especially, to food and detergents, as well as to pharmaceutics, cosmetics, and the chemical industry. Until now, the oxidation of sugars, furfural, or 5-hydroxymethylfurfural has been mainly conducted through biochemical processes or with strong inorganic oxidants. The use of these processes very often presents many disadvantages, especially regarding products separation and selectivity control. Generally, the oxidation is performed in batch conditions using an appropriate catalyst and a basic aqueous solution (pH 7–9, while bubbling oxygen or air through the slurry. However, there is a renewed interest in working in base-free conditions to avoid the production of salts. Actually, this gives direct access to different acids or diacids without laborious product purification steps. This review focuses on processes applying gold-based catalysts, and on the catalytic properties of these systems in the base-free oxidation of important compounds: C5–C6 sugars, furfural, and 5-hydroxymethylfurfural. A better understanding of the chemical and physical properties of the catalysts and of the operating conditions applied in the oxidation reactions is essential. For this reason, in this review we put emphasis on these most impacting factors.

  5. Ternary and Multi-Bit FIR Filter Area-Performance Tradeoffs in FPGA

    Directory of Open Access Journals (Sweden)

    Khalil-Ur-Rahman Dayo

    2013-01-01

    Full Text Available In this paper, performance and area of conventional FIR (Finite Impulse Responce filters versus ternary sigma delta modulated FIR filter is compared in FPGA (Field Programmable Gate Arrays using VHDL (Verilog Description Language. Two different approaches were designed and synthesized at same spectral performance by obtaining a TIR (Target Impulse Response. Both filters were synthesized on adaptive LUT (Look Up Table FPGA device in pipelined and non-pipelined modes. It is shown that the Ternary FIR filter occupies approximately the same area as the corresponding multi-bit filter, but for a given specification, the ternary FIR filter has 32% better performance in non-pipelined and 72% in pipelined mode, compared to its equivalent Multi-Bit filter at its optimum 12-bit coefficient quantization. These promising results shows that ternary logic based (i.e. +1,0,-1 filters can be used for huge chip area savings and higher performance.

  6. Synthesis of ternary nitrides by mechanochemical alloying

    DEFF Research Database (Denmark)

    Jacobsen, C.J.H.; Zhu, J.J.; Lindelov, H.

    2002-01-01

    Ternary metal nitrides ( of general formula MxM'N-y(z)) attract considerable interest because of their special mechanical, electrical, magnetic, and catalytic properties. Usually they are prepared by ammonolysis of ternary oxides (MxM'O-y(m)) at elevated temperatures. We show that ternary...... nitrides by mechanochemical alloying of a binary transition metal nitride (MxN) with an elemental transition metal. In this way, we have been able to prepare Fe3Mo3N and Co3Mo3N by ball-milling of Mo2N with Fe and Co, respectively. The transformation sequence from the starting materials ( the binary...

  7. Performance Estimation for Lowpass Ternary Filters

    Directory of Open Access Journals (Sweden)

    O'Shea Peter

    2003-01-01

    Full Text Available Ternary filters have tap values limited to , , or . This restriction in tap values greatly simplifies the multipliers required by the filter, making ternary filters very well suited to hardware implementations. Because they incorporate coarse quantisation, their performance is typically limited by tap quantisation error. This paper derives formulae for estimating the achievable performance of lowpass ternary filters, thereby allowing the number of computationally intensive design iterations to be reduced. Motivated by practical communications systems requirements, the performance measure which is used is the worst-case stopband attenuation.

  8. Ternary fission and cluster radioactivities

    CERN Document Server

    Poenaru, D N; Greiner, W; Gherghescu, R A; Hamilton, J H; Ramayya, A V

    2002-01-01

    Ternary fission yield for different kinds of light particle accompanied fission processes is compared to the Q-values for the corresponding cold phenomena, showing a striking correlation. The experimental evidence for the existence of a quasimolecular state in sup 1 sup 0 Be accompanied fission of sup 2 sup 5 sup 2 Cf may be explained using a three-center phenomenological model which generates a third minimum in the deformation energy at a separation distance very close to the touching point. This model is a natural extension of the unified approach to three groups of binary decay modes (cold fission, cluster radioactivities and alpha decay), illustrated by sup 2 sup 3 sup 4 U decay modes, and the alpha valley on the potential energy surfaces of sup 1 sup 0 sup 6 Te. New measurements of cluster decay modes, confirming earlier predictions within analytical superasymmetric fission model, are included in a comprehensive half-life systematics. (authors)

  9. Identification of a Hit Series of Antileishmanial Compounds through the Use of Mixture-Based Libraries.

    Science.gov (United States)

    Giulianotti, Marc A; Vesely, Brian A; Azhari, Ala; Souza, Ashley; LaVoi, Travis; Houghten, Richard A; Kyle, Dennis E; Leahy, James W

    2017-08-10

    From a screening campaign that included mixture-based libraries containing more than 6 million compounds, a lead series of bis-cyclic guanidines was identified as the most promising. Lead optimization resulted in the identification of potent (IC 50 < 500 nM) and selective compounds within this series as well as potent and selective monoguanidines.

  10. Building Asphalt Pavement with SBS-based Compound Added Using a Dry Process in Greenland

    DEFF Research Database (Denmark)

    Lee, Hosin; Kim, Yongjoo; Geisler, Nivi

    2009-01-01

    PMA where it is formulated to melt and blend with asphalt quickly during a batch mixing process. The main objectives of this study are to (1) build asphalt pavement using asphalt mixtures with SBS-based compound added using a “dry” process at the batch plant and (2) evaluate its performance under......-based compound seemed to affect the asphalt mix to become more flexible under the heavy loads. By adding SBS-based compound to asphalt mixtures using a “dry” process, it is expected that the pavement would become more resistant to rutting than a typical asphalt mixture used in Greenland while enduring its arctic...

  11. Formation and characterization of zein-propylene glycol alginate-surfactant ternary complexes: Effect of surfactant type.

    Science.gov (United States)

    Dai, Lei; Sun, Cuixia; Wei, Yang; Zhan, Xinyu; Mao, Like; Gao, Yanxiang

    2018-08-30

    In this study, zein, propylene glycol alginate (PGA) and surfactant ternary complexes were fabricated by antisolvent co-precipitation method. Two types of surfactants (rhamnolipid and lecithin) were applied to generate zein-PGA-rhamnolipid (Z-P-R) and zein-PGA-lecithin (Z-P-L) ternary complexes, respectively. Results showed that the surfactant types significantly affected the properties of ternary complexes. The formation of ternary complexes was mainly due to the non-covalent interactions such as hydrogen bonding, electrostatic interaction and hydrophobic interactions among zein, PGA and surfactants. Moreover, the thermal stability of ternary complexes was enhanced with increasing the levels of both surfactants. Notably, ternary complex dispersions exhibited better stability against pH from 2 to 8. Furthermore, a compact network structure was observed in Z-P-R ternary complex, while Z-P-L ternary complex remained the spherical structure. These findings would provide new insights into the development of novel delivery system and expand the options, when zein-based complexes were utilized under different environment conditions. Copyright © 2018 Elsevier Ltd. All rights reserved.

  12. Investigations on the variable large bandgap semiconductor compound HgBrI

    International Nuclear Information System (INIS)

    Stanciu, G A; Stanciu, S G; Daviti, M; Paraskevopoulos, K M; Polychroniadis, E K

    2003-01-01

    A new ternary compound, HgBrI, having a variable, large bandgap was investigated using different nondestructive methods. The homogeneity of the crystal composition along the growth axis was given from absorption edge measurements performed on different parts of the crystals using classical optical measurements. The atomic composition was determined by x-ray energy dispersive spectroscopy. Based on photoluminescence and reflection measurements using Confocal Scanning Laser Microscopy, the exact position and dimensions of the inhomogeneity regions were established

  13. New ternary transition metal borides containing uranium and rare earth elements

    International Nuclear Information System (INIS)

    Rogl, P.; Delong, L.

    1983-01-01

    The new ternary actinide metal diborides U 2 MoB 6 , U 2 ReB 6 , U 2 OsB 6 , URuB 4 and UOsB 4 were prepared and found to crystallize with either the Y 2 ReB 6 or the ThMoB 4 type of structure. LuRuB 4 and LuOsB 4 crystallize with the YCrB 4 type of structure. In a ternary series of solid solutions YRh 3 Bsub(1-x) (0 0 C), boron was found to stabilize a Cu 3 Au type of structure. The superconductivity of the new uranium compounds and of a series of ternary transition metal borides was investigated; no superconductivity was observed for temperatures as low at 1.3-1.5 K. The cubic perovskite or filled Cu 3 Au structure is discussed as a type which is very unfavorable for the occurrence of superconductivity. (Auth.)

  14. Experimental investigation of phase equilibria in the Ni-Nb-V ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xingjun; Yang, Shuiyuan; Wang, Cuiping [Xiamen Univ. (China). Dept. of Materials Science and Engineering; Xiamen Univ. (China). Fujian Provincial Key Lab. of Materials Genome; Zhang, Xianjie; Jiang, Hengxing; Shi, Zhan [Xiamen Univ. (China). Dept. of Materials Science and Engineering

    2017-09-15

    The phase equilibria of the Ni-Nb-V ternary system at 1000 C and 1200 C were established using electron probe microanalysis, X-ray diffraction and differential scanning calorimetry. The results of the investigation revealed that: (1) The Nb solubility in (Ni) and σ{sup '} phases was less than 10 at.%; (2) A ternary compound τ (NiNbV) was confirmed, in which V had a large solubility; (3) A new liquid region was evident at 1200 C, but was absent at 1000 C; (4) The lattice constants of Ni{sub 3}Nb and Ni{sub 6}Nb{sub 7} phase decreased with increase in V content in the Ni{sub 3}Nb and Ni{sub 6}Nb{sub 7}. The phase equilibria of the Ni-Nb-V ternary system will contribute to its thermodynamic assessment.

  15. Synthesis, antimicrobial activity of Schiff base compounds of cinnamaldehyde and amino acids.

    Science.gov (United States)

    Wang, Hui; Yuan, Haijian; Li, Shujun; Li, Zhuo; Jiang, Mingyue

    2016-02-01

    The purpose of this study was to synthesize hydrophilic cinnamaldehyde Schiff base compounds and investigate those bioactivity. A total of 24 Schiff base compounds were synthesized using a simple approach with 3 cinnamaldehyde derivates and 8 amino acids as raw materials. The structures of synthesized compounds were confirmed using FTIR, (1)HNMR, HRMS purity and melting point. The antimicrobial activities of new compounds were evaluated with fluconazole and ciprofloxacin as the control against Aspergillus niger, Penicillium citrinum, Escherichia coli and Staphylococcus aureus. Findings show that major compounds exhibited significant bioactivity. Results from the structure-activity relationship suggest that both -p-Cl on benzene ring of cinnamaldehyde and the number of -COOK of amino acid salts significantly contributed to antimicrobial activity. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. Thermodynamic calculations in ternary titanium–aluminium–manganese system

    Directory of Open Access Journals (Sweden)

    ANA I. KOSTOV

    2008-04-01

    Full Text Available Thermodynamic calculations in the ternary Ti–Al–Mn system are shown in this paper. The thermodynamic calculations were performed using the FactSage thermochemical software and database, with the aim of determining thermodynamic properties, such as activities, coefficient of activities, partial and integral values of the enthalpies and Gibbs energies of mixing and excess energies at two different temperatures: 2000 and 2100 K. Bearing in mind that no experimental data for the Ti–Al–Mn ternary system have been obtained or reported. The obtained results represent a good base for further thermodynamic analysis and may be useful as a comparison with some future critical experimental results and thermodynamic optimization of this system.

  17. A New Multifunctional Sensor for Measuring Concentrations of Ternary Solution

    Science.gov (United States)

    Wei, Guo; Shida, Katsunori

    This paper presents a multifunctional sensor with novel structure, which is capable of directly sensing temperature and two physical parameters of solutions, namely ultrasonic velocity and conductivity. By combined measurement of these three measurable parameters, the concentrations of various components in a ternary solution can be simultaneously determined. The structure and operation principle of the sensor are described, and a regression algorithm based on natural cubic spline interpolation and the least square method is adopted to estimate the concentrations. The performances of the proposed sensor are experimentally tested by the use of ternary aqueous solution of sodium chloride and sucrose, which is widely involved in food and beverage industries. This sensor could prove valuable as a process control sensor in industry fields.

  18. Experimental Investigation of Ternary Alloys for Fusion Breeding Blankets

    Energy Technology Data Exchange (ETDEWEB)

    Choi, B. William [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Chiu, Ing L. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2015-10-26

    Future fusion power plants based on the deuterium-tritium (DT) fuel cycle will be required to breed the T fuel via neutron reactions with lithium, which will be incorporated in a breeding blanket that surrounds the fusion source. Recent work by LLNL proposed the used of liquid Li as the breeder in an inertial fusion energy (IFE) power plant. Subsequently, an LDRD was initiated to develop alternatives ternary alloy liquid metal breeders that have reduced chemical reactivity with water and air compared to pure Li. Part of the work plan was to experimentally investigate the phase diagrams of ternary alloys. Of particular interest was measurement of the melt temperature, which must be low enough to be compatible with the temperature limits of the steel used in the construction of the chamber and heat transfer system.

  19. Green chemistry approach to the synthesis of potentially bioactive aminobenzylated Mannich bases through active hydrogen compounds

    Directory of Open Access Journals (Sweden)

    S. L. VASOYA

    2005-10-01

    Full Text Available An efficient and high yield method for the synthesis of aminobenzylated Mannich bases is described. The synthesis occurs in aqueous medium at 0 ºC. The compounds show moderate antitubercular and antimicrobial activities.

  20. Comparative analysis of machine learning methods in ligand-based virtual screening of large compound libraries.

    Science.gov (United States)

    Ma, Xiao H; Jia, Jia; Zhu, Feng; Xue, Ying; Li, Ze R; Chen, Yu Z

    2009-05-01

    Machine learning methods have been explored as ligand-based virtual screening tools for facilitating drug lead discovery. These methods predict compounds of specific pharmacodynamic, pharmacokinetic or toxicological properties based on their structure-derived structural and physicochemical properties. Increasing attention has been directed at these methods because of their capability in predicting compounds of diverse structures and complex structure-activity relationships without requiring the knowledge of target 3D structure. This article reviews current progresses in using machine learning methods for virtual screening of pharmacodynamically active compounds from large compound libraries, and analyzes and compares the reported performances of machine learning tools with those of structure-based and other ligand-based (such as pharmacophore and clustering) virtual screening methods. The feasibility to improve the performance of machine learning methods in screening large libraries is discussed.

  1. Microstructural Investigations On Ni-Ta-Al Ternary Alloys

    International Nuclear Information System (INIS)

    Negache, M.; Taibi, K.; Lounis, Z.; Souami, N.

    2010-01-01

    The Ni-Al-Ta ternary alloys in the Ni-rich part present complex microstructures. They are composed of multiple phases that are formed according to the nominal composition of the alloy, primary Ni(γ), Ni 3 Al(γ'), Ni 6 AlTa(τ 3 ), Ni 3 Ta(δ) or in equilibrium: two solid phases (γ'-τ 3 ), (τ 3 -δ), (τ 3 -γ), (γ-δ) or three solid phases (γ'-τ 3 -δ). The nature and the volume fraction of these phases give these alloys very interesting properties at high temperature, and this makes them attractive for specific applications. We have developed a series of ternary alloys in electric arc furnace, determining their solidification sequences using Differential Thermal Analysis (DTA), characterized by SEM-EDS, X-ray diffraction and by a microhardness tests. The follow-up results made it possible to make a correlation between the nature of the formed phases and their solidifying way into the Ni 75 Al x Ta y (x+y = 25at.%) system, which are varied and complex. In addition to the solid solution Ni (γ), the formed intermetallics compounds (γ', τ 3 and δ) has been identified and correlated with a complex balance between phases.We noticed that the hardness increases with the tantalum which has a hardening effect and though the compound Ni 3 Ta(δ) is the hardest. The below results provide a better understanding of the complex microstructure of these alloys.

  2. Accelerating Multiple Compound Comparison Using LINGO-Based Load-Balancing Strategies on Multi-GPUs

    Directory of Open Access Journals (Sweden)

    Chun-Yuan Lin

    2015-01-01

    Full Text Available Compound comparison is an important task for the computational chemistry. By the comparison results, potential inhibitors can be found and then used for the pharmacy experiments. The time complexity of a pairwise compound comparison is O(n2, where n is the maximal length of compounds. In general, the length of compounds is tens to hundreds, and the computation time is small. However, more and more compounds have been synthesized and extracted now, even more than tens of millions. Therefore, it still will be time-consuming when comparing with a large amount of compounds (seen as a multiple compound comparison problem, abbreviated to MCC. The intrinsic time complexity of MCC problem is O(k2n2 with k compounds of maximal length n. In this paper, we propose a GPU-based algorithm for MCC problem, called CUDA-MCC, on single- and multi-GPUs. Four LINGO-based load-balancing strategies are considered in CUDA-MCC in order to accelerate the computation speed among thread blocks on GPUs. CUDA-MCC was implemented by C+OpenMP+CUDA. CUDA-MCC achieved 45 times and 391 times faster than its CPU version on a single NVIDIA Tesla K20m GPU card and a dual-NVIDIA Tesla K20m GPU card, respectively, under the experimental results.

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

    International Nuclear Information System (INIS)

    Wang, Xin; Tang, Xiaohan; Yang, Xiaoyi

    2017-01-01

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

  4. Synthesis of natural-product-based compound libraries

    NARCIS (Netherlands)

    Wessjohann, L.A.

    2000-01-01

    Natural products cover a diversity space not yet available from synthetic libraries, with an unrivalled success rate as drug leads. The combinatorial synthesis of non-oligomeric natural-product-based libraries, however, is still limited to few examples because access to easily modified units

  5. Molecular Recognition: Detection of Colorless Compounds Based on Color Change

    Science.gov (United States)

    Khalafi, Lida; Kashani, Samira; Karimi, Javad

    2016-01-01

    A laboratory experiment is described in which students measure the amount of cetirizine in allergy-treatment tablets based on molecular recognition. The basis of recognition is competition of cetirizine with phenolphthalein to form an inclusion complex with ß-cyclodextrin. Phenolphthalein is pinkish under basic condition, whereas it's complex form…

  6. Ternary Complex Formation of Uranium(VI) and its Extraction with Tri-n-butyl phosphate and 8-Hydroxyquinoline

    International Nuclear Information System (INIS)

    Park, K. K.; Lee, G. H.; Cho, H. R.; Jung, E. C.

    2009-01-01

    The ternary complex formation of metal ions with ligand in an aquatic solution has been of interest in various research fields such as synergistic extraction, spectrophotometry, spectrofluorometry, solubility and sorption of radionuclides in an environment. When the metal ion extraction based on its formation of a ternary complex with two additives shows much higher extraction efficiency as compared to the extractions by an individual additive, it is classified as a synergistic extraction. Synergistic extraction uses a neutral donor in combination with an acidic chelating ligand. The chelating ligand neutralizes the charge of a metal ion to form an uncharged extractable complex having sites for water molecules, which can be replaced by the neutral donors to form an organophilic adduct. The most common acidic chelating ligands are β-diketones or organophosphorous acids, and neutral donors are amine derivatives or organophosphorous compounds such as alkylphosphates and alklypohsphine oxides. Development of sensitive and selective analytical instruments such as ICP-AES and ICP-MS makes an analyst be free from the trouble to separate analyte. However, sometimes, the removal of matrix from an analyte is required to increase sensitivity and to decrease background level and hysteresis of an instrument. Solvent extraction is one of the most important techniques in concentration and purification of U(VI). The purpose of this study is an understanding of a ternary complex formation of U(VI) in the presence of pyridine derivatives and TBP. The solvent extraction technique was used, and the results was explained by a stability of U(VI)-chelating ligand complexes. The result of this study could be applied to the concentration and separation of U(VI) from the sea water

  7. Optimization of the solvent-based dissolution method to sample volatile organic compound vapors for compound-specific isotope analysis.

    Science.gov (United States)

    Bouchard, Daniel; Wanner, Philipp; Luo, Hong; McLoughlin, Patrick W; Henderson, James K; Pirkle, Robert J; Hunkeler, Daniel

    2017-10-20

    The methodology of the solvent-based dissolution method used to sample gas phase volatile organic compounds (VOC) for compound-specific isotope analysis (CSIA) was optimized to lower the method detection limits for TCE and benzene. The sampling methodology previously evaluated by [1] consists in pulling the air through a solvent to dissolve and accumulate the gaseous VOC. After the sampling process, the solvent can then be treated similarly as groundwater samples to perform routine CSIA by diluting an aliquot of the solvent into water to reach the required concentration of the targeted contaminant. Among solvents tested, tetraethylene glycol dimethyl ether (TGDE) showed the best aptitude for the method. TGDE has a great affinity with TCE and benzene, hence efficiently dissolving the compounds during their transition through the solvent. The method detection limit for TCE (5±1μg/m 3 ) and benzene (1.7±0.5μg/m 3 ) is lower when using TGDE compared to methanol, which was previously used (385μg/m 3 for TCE and 130μg/m 3 for benzene) [2]. The method detection limit refers to the minimal gas phase concentration in ambient air required to load sufficient VOC mass into TGDE to perform δ 13 C analysis. Due to a different analytical procedure, the method detection limit associated with δ 37 Cl analysis was found to be 156±6μg/m 3 for TCE. Furthermore, the experimental results validated the relationship between the gas phase TCE and the progressive accumulation of dissolved TCE in the solvent during the sampling process. Accordingly, based on the air-solvent partitioning coefficient, the sampling methodology (e.g. sampling rate, sampling duration, amount of solvent) and the final TCE concentration in the solvent, the concentration of TCE in the gas phase prevailing during the sampling event can be determined. Moreover, the possibility to analyse for TCE concentration in the solvent after sampling (or other targeted VOCs) allows the field deployment of the sampling

  8. Magnetic ordering in rare-earth ternary superconductors

    International Nuclear Information System (INIS)

    Shirane, G.; Thomlinson, W.; Moncton, D.E.

    1979-01-01

    A review is given of current neutron scattering studies of rare-earth(R) ternary superconductors: RMo 6 X 8 (X = S or Se) and ErRh 4 B 4 . Most of these compounds develop antiferromagnetic long-range order which coexists microscopically with superconductivity. Two compounds, HoMo 6 S 8 and ErRh 4 B 4 , become ferromagnetic causing the destruction of superconductivity. In ErRh 4 B 4 , both superconducting and ferromagnetic regions are simultaneously present between 0.9 and 1.2 0 K but microscopic coexistence is not indicated. However, in this temperature range, magnetic fluctuations occurring in the superconducting regions take the forms of a magnetic spiral with a wavelength of approx. 100 A in order to accommodate superconductivity. This observation is in good agreement with the theoretical predictions of Blount and Varma

  9. Quadrupole interaction in ternary chalcopyrite semiconductors experiments and theory

    CERN Document Server

    Dietrich, M; Degering, D; Deicher, M; Kortus, J; Magerle, R; Möller, A; Samokhvalov, V; Unterricker, S; Vianden, R

    2000-01-01

    Electric field gradients have been measured at substitutional lattice sites in ternary semiconductors using perturbed gamma - gamma angular correlation spectroscopy. The experimental results for A/sup I/B/sup III/C/sub 2//sup VI/ chalcopyrite structure compounds and Square Operator A/sup II/B/sub 2//sup III/C/sub 4//sup VI/ defect chalcopyrites are compared with ab-initio calculations. The latter were carried out with the WIEN code that uses the full potential linearized augmented plane wave method within a density functional theory. The agreement between experiment and theory is in most cases very good. Furthermore, the anion displacements in AgGaX/sub 2/- compounds (X: S, Se, Te) have been determined theoretically by determining the minimum of the total energy of the electrons in an elementary cell. (20 refs).

  10. Binary and ternary copper(II) complexes of a new Schiff base ligand derived from 4-acetyl-5,6-diphenyl-3(2H)-pyridazinone: Synthesis, spectral, thermal, antimicrobial and antitumor studies

    Science.gov (United States)

    Shebl, Magdy; Adly, Omima M. I.; Abdelrhman, Ebtesam M.; El-Shetary, B. A.

    2017-10-01

    A new Schiff base ligand was synthesized by the reaction of 4-acetyl-5,6-diphenyl-3(2H)-pyridazinone with ethylenediamine. A series of binary copper(II) Schiff base complexes have been synthesized by using various copper(II) salts; AcO-, NO3-, ClO4-, Cl- and Br-. Ternary complexes were synthesized by using auxiliary ligands (L‧) [N,O-donor; 8-hydroxyquinoline and glycine or N,N-donor; 1,10-phenanthroline, bipyridyl and 2-aminopyridine]. The structures of the Schiff base and its complexes were characterized by elemental and thermal analyses, IR, electronic, mass, 1H NMR and ESR spectra in addition to conductivity and magnetic susceptibility measurements. The obtained complexes include neutral binuclear complexes as well as neutral and cationic mononuclear complexes according to the anion used and the experimental conditions. The ESR spin Hamiltonian parameters of some complexes were calculated and discussed. The metal complexes exhibited octahedral and square planar geometrical arrangements depending on the nature of the anion. Kinetic parameters (Ea, A, ΔH, ΔS and ΔG) of the thermal decomposition stages were evaluated using Coats-Redfern equations. The antimicrobial activity of the Schiff base and its complexes was screened against Gram-positive bacteria (Staphylococcus aureus and Bacillus subtilis), Gram-negative bacteria (Salmonella typhimurium and Escherichia coli), yeast (Candida albicans) and fungus (Aspergillus fumigatus). The antitumor activity of the Schiff base and some of its Cu(II) complexes was investigated against HepG-2 cell line.

  11. The discovery of bioisoster compound for plumbagin using the knowledge-based rational method

    Science.gov (United States)

    Jeong, Seo Hee; Choi, Jung Sup; Ko, Young Kwan; Kang, Nam Sook

    2015-04-01

    Arabidopsis thaliana 7-Keto-8-AminoPelargonic Acid Synthase (AtKAPAS) is a crucial herbicide target, and AtKAPAS inhibitors are widely available in the agrochemical market. The herbicide plumbagin is known as a potent inhibitor for AtKAPAS but it is extremely toxic. In this study, we identified the metabolic site of plumbagin and also performed a similarity-based library analysis using 2D fingerprints and a docking study. Four compounds as virtual hits were derived from plumbagin. Treatment of Digitaria ciliaris with compound 2, one of four hit compounds, stunted the growth of leaves and the leaf tissue was desiccated or burned within three days. Thus, we expect that compound 2 will be developed as a new herbicide and additionally our strategy will provide helpful information for optimizing lead compounds.

  12. Fabrication and efficient visible light photocatalytic properties of novel zinc indium sulfide (ZnIn2S4) - graphitic carbon nitride (g-C3N4)/bismuth vanadate (BiVO4) nanorod-based ternary nanocomposites with enhanced charge separation via Z-scheme transfer.

    Science.gov (United States)

    Jo, Wan-Kuen; Natarajan, Thillai Sivakumar

    2016-11-15

    Novel ZnIn2S4-g-C3N4/BiVO4 nanorod-based ternary nanocomposite photocatalysts with enhanced visible light absorption were synthesized and systematically characterized to confirm the formation of ZnIn2S4 marigold flowers, the layered structure of the g-C3N4, BiVO4 nanorods, and the formation of binary and ternary nanocomposites. The visible light absorption of BiVO4 was significantly improved after coupling with g-C3N4 and ZnIn2S4, which was confirmed by UV-visible diffuse reflectance spectroscopic analysis. Ternary ZnIn2S4-g-C3N4/BiVO4 nanocomposites exhibited excellent visible light photocatalytic decomposition efficiency (VL-PDE) when used for the degradation of congo red (CR) dye and metronidazole (MTZ) pharmaceutical, as well as excellent stability and reusability. The ternary 5%ZnIn2S4-50%-g-C3N4/BiVO4 nanocomposite showed higher VL-PDE for CR (81.5%) and MTZ (59%) degradation than the binary composites, g-C3N4 and BiVO4. Radical quenching experiments showed that h(+), OH, and O2(-) were the reactive radicals, validating that the Z-scheme charge carrier transfer mechanism was responsible for the enhanced VL-PDE of the ternary ZnIn2S4-g-C3N4/BiVO4 nanocomposites, which was further confirmed by photoluminescence analysis. Furthermore, kinetic studies showed that the degradation followed pseudo-first-order kinetics, and that the ternary photocatalysts could be reused up to three times with good stability. The enhanced visible light absorption, high surface area, high adsorption capacity, Z-scheme charge carrier transfer, and increased lifetime of photo-produced electron-hole pairs were responsible for the increased visible light photocatalytic decomposition efficiency. Copyright © 2016 Elsevier Inc. All rights reserved.

  13. Rule-based Approach on Extraction of Malay Compound Nouns in Standard Malay Document

    Science.gov (United States)

    Abu Bakar, Zamri; Kamal Ismail, Normaly; Rawi, Mohd Izani Mohamed

    2017-08-01

    Malay compound noun is defined as a form of words that exists when two or more words are combined into a single syntax and it gives a specific meaning. Compound noun acts as one unit and it is spelled separately unless an established compound noun is written closely from two words. The basic characteristics of compound noun can be seen in the Malay sentences which are the frequency of that word in the text itself. Thus, this extraction of compound nouns is significant for the following research which is text summarization, grammar checker, sentiments analysis, machine translation and word categorization. There are many research efforts that have been proposed in extracting Malay compound noun using linguistic approaches. Most of the existing methods were done on the extraction of bi-gram noun+noun compound. However, the result still produces some problems as to give a better result. This paper explores a linguistic method for extracting compound Noun from stand Malay corpus. A standard dataset are used to provide a common platform for evaluating research on the recognition of compound Nouns in Malay sentences. Therefore, an improvement for the effectiveness of the compound noun extraction is needed because the result can be compromised. Thus, this study proposed a modification of linguistic approach in order to enhance the extraction of compound nouns processing. Several pre-processing steps are involved including normalization, tokenization and tagging. The first step that uses the linguistic approach in this study is Part-of-Speech (POS) tagging. Finally, we describe several rules-based and modify the rules to get the most relevant relation between the first word and the second word in order to assist us in solving of the problems. The effectiveness of the relations used in our study can be measured using recall, precision and F1-score techniques. The comparison of the baseline values is very essential because it can provide whether there has been an improvement

  14. Comprehensive uranium thiophosphate chemistry: Framework compounds based on pseudotetrahedrally coordinated central metal atoms

    International Nuclear Information System (INIS)

    Neuhausen, Christine; Panthoefer, Martin; Tremel, Wolfgang; Hatscher, Stephan T.; Urland, Werner

    2013-01-01

    The new ternary compounds UP 2 S 6 , UP 2 S 7 , U(P 2 S 6 ) 2 , and U 3 (PS 4 ) 4 were prepared from uranium metal, phosphorus pentasulfide, and sulfur at 700 C. The crystal structures were determined by single-crystal X-ray diffraction methods. UP 2 S 6 (I) crystallizes in the ZrP 2 S 6 structure type [tetragonal, P4 2 /m, a = 6.8058(7) Aa, c = 9.7597(14) Aa, Z = 2], which consists of central uranium(IV) atoms coordinated by P 2 S 6 4- anions (staggered conformation). The anions are two-dimensional connectors for four uranium cations arranged in one plane. The structure of UP 2 S 7 (II) [orthorhombic, Fddd, a = 8.9966(15) Aa, b = 15.2869(2) Aa, c = 30.3195(5) Aa, Z = 16] is closely related to the monoclinic ZrP 2 S 7 structure type. It consists of U 4+ cations linked by P 2 S 7 4- ligands, the resulting 3D network contains large pores (diameter approx. 3.5 x 16.7 Aa). In the previously reported compound U(P 2 S 6 ) 2 (III) [I4 1 /a, a = 12.8776(9) Aa, c = 9.8367(10) Aa, Z = 2], the metal atoms are coordinated by four bidentate P 2 S 6 2- ligands. This arrangement can be considered as a pseudotetrahedral coordination of the uranium atoms by the linear ligands. Three of the resulting diamondoid frameworks are inseparably interwoven in order to optimize space filling. U 3 (PS 4 ) 4 (IV) [I4 1 /acd, a = 10.7440(9) Aa, c = 19.0969(2) Aa, Z = 2] crystallizes in a defect variant of the PrPS 4 structure type, with 50 % of the U2 sites statistically occupied with uranium atoms. The resulting stoichiometry is U 3 (PS 4 ) 4 with tetravalent uranium atoms. The structure of U 3 (PS 4 ) 4 consists of uranium atoms connected by PS 4 3- groups, each PS 4 group linking four central uranium atoms. Vibrational spectra, which were recorded for I-III, show good agreement between the obtained results and the expected values for the anionic units, while magnetic measurements confirm the presence of tetravalent uranium. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGa

  15. Ternary Ag/epoxy adhesive with excellent overall performance.

    Science.gov (United States)

    Ji, Yan-Hong; Liu, Yu; Huang, Gui-Wen; Shen, Xiao-Jun; Xiao, Hong-Mei; Fu, Shao-Yun

    2015-04-22

    Excellent electrical conductivity (EC) generally conflicts with high lap shear strength (LSS) for electrically conductive adhesives (ECAs) since EC increases while LSS decreases with increasing conductive filler content. In this work, the ECAs with the excellent overall performance are developed based on the ternary hybrid of Ag microflakes (Ag-MFs), Ag nanospheres (Ag-NSs), and Ag nanowires (Ag-NWs). First, a low silver content adhesive system is determined. Then, the effects of the relative contents of Ag fillers on the EC and the LSS are studied. It is shown that a small amount of Ag-NSs or Ag-NWs can dramatically improve the EC for the Ag-MF/epoxy adhesives. The Ag-NSs and Ag-NWs with appropriate contents have a synergistic effect in improving the EC. Meanwhile, the LSS of the as-prepared adhesive with the appropriate Ag contents reaches an optimal value. Both the EC and the LSS of the as-prepared ternary hybrid ECA with a low content of 40 wt % Ag are higher than those of the commercial ECAs filled with the Ag-MF content over 60 wt %. Finally, the ternary hybrid ECA with the optimal formulation is shown to be promising for printing the radio frequency identification tag antennas as an immediate application example.

  16. Realizing Ternary Logic in FPGAs for SWL DSP Systems

    Directory of Open Access Journals (Sweden)

    Tayeb Din

    2013-07-01

    Full Text Available Recently SWL (Short Word Length DSP (Digital Signal Processing applications has been proposed to overcome multiplier complexity that is evident in most of the digital applications. These SWL applications have been processed through sigma-delta modulation as a key element. For such applications, adder design plays vital role and can impact upon the chip area and its performance. In this paper, a ternary approach for adder tree has been proposed instead of binary that can accommodate more data with less chip-area at the cost of extra pin. The proposed ternary adder tree has been designed and developed in Quartus-II using three different design strategies namely T-gate (Ternary gate, LUT (Look Up Table and algebraic equations. Through rigorous simulation it was found that T-gate technique results in superior performance, an average of 23.5 and 33% improvement compared to the same adder structure based on Boolean Algebraic Equation and LUT, respectively. The proposed adder design would benefit the efficient implementation of SWL applications.

  17. Application of novel ternary deep eutectic solvents as a functional monomer in molecularly imprinted polymers for purification of levofloxacin.

    Science.gov (United States)

    Li, Xiaoxia; Row, Kyung Ho

    2017-11-15

    A series of ecofriendly ternary deep eutectic solvents (DESs) with different molar ratios were prepared as candidate functional monomers. Three of the optimal ternary DESs as functional monomers were applied to the preparation of molecularly imprinted polymers (MIPs). After synthesis, the proposed polymers were characterized by elemental analysis (EA), scanning electron microscopy (SEM), thermogravimetric analysis (TGA), Brunauer-Emmett-Teller surface area measurements (BET) and Fourier transform infrared spectroscopy (FT-IR). These MIPs based on ternary DESs with different molar ratios exhibited different absorption capacities of levofloxacin. A sample of levofloxacin (500ng) was dissolved in a millet extractive (10mL). All MIPs were used as SPE adsorbents to purify the extracts. According to characterization result, the ternary DES-3 (1:3:1.5) was joined in the synthetic process of MIP-1. The green ternary DES-3-based MIPs had the best selectivity recovery for levofloxacin (91.4%) from the millet extractive. The best selectivity of MIP-1 was attributed to the novel monomer (ternary DES) in the preparation of the materials. Overall, ternary DES-based MIPs have potential applications as media in many research areas. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Binary and ternary fission yields induced by 12C and 20Ne ions on 238U targets

    International Nuclear Information System (INIS)

    Otto, R.J.

    1974-01-01

    Evidence for ternary fission of 250 Cf* and 258 No* compound nuclei has been found. Relative cross section data for nuclides with masses between 24 Na and 161 Tb have been determined for 12 C bombardments of natural uranium at laboratory energies of 122 MeV, 113 MeV and 105 MeV. Relative cross section data for 8 nuclides between 24 Na and 66 Ni were sought for 20 Ne bombardments of natural uranium at 150 MeV laboratory energies. The binary fission fragment mass distribution for 238 U( 12 C,f) was determined by analysis of fission fragment recoil collection foils using radiochemical techniques and high resolution gamma ray spectroscopy. The results indicated the existence of a ternary fission branch similar to mass distributions obtained for He induced fission of Th, U, and Pu nuclei at intermediate energies. Comparison of the data with He induced ternary fission data obtained previously in this laboratory indicated an increase in the ternary fission probability with increasing Z 2 /A of the compound nucleus and with excitation energy. A shift of the binary-ternary fission product intersection point to lower mass numbers with increasing Z 2 /A and excitation energy of the compound nucleus was also observed. (Diss. Abstr. Int., B)

  19. Sensitivity of energy-packed compounds based on superfine and nanoporous silicon to pulsed electrical treatments

    Energy Technology Data Exchange (ETDEWEB)

    Zegrya, G. G. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Savenkov, G. G. [Saint-Petersburg State Engineering Institute (Technical University) (Russian Federation); Morozov, V. A. [Saint-Petersburg State University (Russian Federation); Zegrya, A. G.; Ulin, N. V., E-mail: Ulin@mail.ioffe.ru; Ulin, V. P. [Russian Academy of Sciences, Ioffe Physical–Technical Institute (Russian Federation); Lukin, A. A. [Saint-Petersburg State Engineering Institute (Technical University) (Russian Federation); Bragin, V. A.; Oskin, I. A. [AO Scientific Production Association Poisk (Russian Federation); Mikhailov, Yu. M. [Russian Academy of Sciences, Institute of Problems of Chemical Physics (Russian Federation)

    2017-04-15

    The sensitivity of an energy-packed compound based on nanoporous silicon and calcium perchlorate to a high-current electron beam is studied. The initiation of explosive transformations in a mixture of potassium picrate with a highly dispersed powder of boron-doped silicon by means of a high-voltage discharge is examined. It is shown that explosive transformation modes (combustion and explosion) appear in the energy-packed compound under study upon its treatment with an electron beam. A relationship is established between the explosive transformation modes and the density of the energy-packed compound and between the breakdown (initiation) voltage and the mass fraction of the silicon powder.

  20. Phase relationships in the Er-Mn-Ti ternary system at 773 K

    International Nuclear Information System (INIS)

    Liu Jingqi; Wang Xina; Tang Mengqi; Su Kunpeng; Yang Xiaomao; Li Chunhui; Li Xueqiang

    2009-01-01

    The Phase relationship in the Er-Mn-Ti ternary system at 773 K has been investigated by X-ray powder diffraction analysis with the aid of differential thermal analysis and optical microanalysis techniques in this work. The existence of eight binary compounds Mn 15 Ti 85, αMnTi, βMnTi, Mn 2 Ti, Mn 5 Ti, ErMn 12, Er 6 Mn 23 and ErMn 2 has been confirmed at 773 K in this system. The maximum solid solubility of Ti in Mn is about 8 at%Ti. The homogeneity range of Mn 2 Ti extends from about 31 at% to 39 at% Ti. The maximum solid solubility of Er in Mn 2 Ti phase is about less than 1 at% Er. No ternary compounds were found in this ternary system at 773K. At 773 K, the isothermal section of phase diagram of Er-Mn-Ti ternary system consists of 11 single-phase regions, 19 two-phase regions and 9 three-phase regions.

  1. Theoretical investigation of the structural stabilities, optoelectronic properties and thermodynamic characteristics of GaPxSb1-x ternary alloys

    Science.gov (United States)

    Oumelaz, F.; Nemiri, O.; Boumaza, A.; Ghemid, S.; Meradji, H.; Bin Omran, S.; El Haj Hassan, F.; Rai, D. P.; Khenata, R.

    2017-12-01

    In this theoretical study, we have investigated the structural, phase transition, electronic, thermodynamic and optical properties of GaPxSb1-x ternary alloys. Our calculations are performed with the WIEN2k code based on density functional theory using the full-potential linearized augmented plane wave method. For the electron exchange-correlation potential, a generalized gradient approximation within Wu-Cohen scheme is considered. The recently developed Tran-Blaha modified Becke-Johnson potential has also been used to improve the underestimated band gap. The structural properties, including the lattice constants, the bulk moduli and their pressure derivatives are in very good agreement with the available experimental data and theoretical results. Several structural phase transitions were studied here to establish the stable structure and to predict the phase transition under hydrostatic pressure. The computed transition pressure (Pt) of the material of our interest from the zinc blende (B3) to the rock salt (B1) phase has been determined and found to agree well with the experimental and theoretical data. The calculated band structure shows that GaSb binary compound and the ternary alloys are direct band gap semiconductors. Optical parameters such as the dielectric constants and the refractive indices are calculated and analyzed. The thermodynamic results are also interpreted and analyzed.

  2. Nanoscale Device Properties of Tellurium-based Chalcogenide Compounds

    Science.gov (United States)

    Dahal, Bishnu R.

    The great progress achieved in miniaturization of microelectronic devices has now reached a distinct bottleneck, as devices are starting to approach the fundamental fabrication and performance limit. Even if a major breakthrough is made in the fabrication process, these scaled down electronic devices will not function properly since the quantum effects can no longer be neglected in the nanoscale regime. Advances in nanotechnology and new materials are driving novel technologies for future device applications. Current microelectronic devices have the smallest feature size, around 10 nm, and the industry is planning to switch away from silicon technology in the near future. The new technology will be fundamentally different. There are several leading technologies based on spintronics, tunneling transistors, and the newly discovered 2-dimensional material systems. All of these technologies are at the research level, and are far from ready for use in making devices in large volumes. This dissertation will focus on a very promising material system, Te-based chalcogenides, which have potential applications in spintronics, thermoelectricity and topological insulators that can lead to low-power-consumption electronics. Very recently it was predicted and experimentally observed that the spin-orbit interaction in certain materials can lead to a new electronic state called topological insulating phase. The topological insulator, like an ordinary insulator, has a bulk energy gap separating the highest occupied electronic band from the lowest empty band. However, the surface states in the case of a three-dimensional or edge states in a two-dimensional topological insulator allow electrons to conduct at the surface, due to the topological character of the bulk wavefunctions. These conducting states are protected by time-reversal symmetry, and cannot be eliminated by defects or chemical passivation. The edge/surface states satisfy Dirac dispersion relations, and hence the physics

  3. Comments on possible preferential order-disorder in A-15 compounds based upon Nb

    International Nuclear Information System (INIS)

    Cox, D.E.

    1977-01-01

    The possible existence of preferential B-site disorder in A-15 compounds recently claimed on the basis of x-ray powder diffraction data but questioned from the viewpoint of known phase diagrams is examined for some Nb-based compounds of this type. It is concluded that x-ray powder data do not allow the determination of both order and compositional variables as suggested, and the latter must therefore be determined by some other method. (author)

  4. Performance Evaluation of Frequency Transform Based Block Classification of Compound Image Segmentation Techniques

    Science.gov (United States)

    Selwyn, Ebenezer Juliet; Florinabel, D. Jemi

    2018-04-01

    Compound image segmentation plays a vital role in the compression of computer screen images. Computer screen images are images which are mixed with textual, graphical, or pictorial contents. In this paper, we present a comparison of two transform based block classification of compound images based on metrics like speed of classification, precision and recall rate. Block based classification approaches normally divide the compound images into fixed size blocks of non-overlapping in nature. Then frequency transform like Discrete Cosine Transform (DCT) and Discrete Wavelet Transform (DWT) are applied over each block. Mean and standard deviation are computed for each 8 × 8 block and are used as features set to classify the compound images into text/graphics and picture/background block. The classification accuracy of block classification based segmentation techniques are measured by evaluation metrics like precision and recall rate. Compound images of smooth background and complex background images containing text of varying size, colour and orientation are considered for testing. Experimental evidence shows that the DWT based segmentation provides significant improvement in recall rate and precision rate approximately 2.3% than DCT based segmentation with an increase in block classification time for both smooth and complex background images.

  5. Synthesis and characterization of colloidal nanocrystals of ternary chalcogenide compounds

    Science.gov (United States)

    Mazing, D. S.; Shul'ga, A. I.; Matyushkin, L. B.; Aleksandrova, O. A.; Moshnikov, V. A.

    2017-01-01

    Colloidal nanocrystals of CuInS2 and CuInSe2 were synthesized in an apolar noncoordinating medium using 1-dodecanethiol as a ligand. A semiconductor shell of ZnS was formed for CuInS2 nanocrystals obtained by the injection method. The obtained samples were characterized by absorption spectroscopy and photoluminescence.

  6. Electron paramagnetic resonance study of ternary Cu II compounds ...

    Indian Academy of Sciences (India)

    , 74001-970, Goiânia (GO), Brazil; Departamento de Física, Facultad de Bioquímica y Ciencias Biológicas, Universidad Nacional del Litoral, and Instituto de Física del Litoral (CONICET-UNL), Güemes 3450, 3000 Santa Fe, Argentina ...

  7. Electron paramagnetic resonance study of ternary Cu compounds ...

    Indian Academy of Sciences (India)

    , Argentina e-mail: santana@ufg.br. MS received 14 August 2013; revised 31 October 2013; accepted 5 November 2013. Abstract. We report here electron paramagnetic resonance (EPR) measurements at 9 and 34 GHz, and room temperature ...

  8. AFFINITY BIOSENSOR BASED ON SCREEN-PRINTED ELECTRODE MODIFIED WITH DNA FOR GENOTOXIC COMPOUNDS DETECTION

    Directory of Open Access Journals (Sweden)

    Bambang Kuswandi

    2010-06-01

    Full Text Available An electrochemical method for the detection of the genotoxic compounds using a DNA-modified electrode was developed. This electrode was successfully used for the electrochemical detection of genotoxic compounds in water samples. The electrochemical results clearly demonstrated that, the development is related to the molecular interaction between the surface-linked DNA obtained from calf thymus and the target compounds, such as pollutants, in order to develop a simple device for rapid screening of genotoxic compounds in environmental samples. The detection of such compounds was measured by their effect on the oxidation signal of the guanine peak of the DNA immobilised on the surface of carbon based Screen-Printed Electrode (SPE in disposable mode, and monitored by square-wave voltametric analysis. The DNA biosensor is able to detect known intercalating and groove-binding genotoxic compounds such as Dioxin, Bisphenol A, PCBs, and Phtalates. Application to real water samples is discussed and reported.   Keywords: electrochemical, screen-printed electrode, DNA biosensor, genotoxic compounds

  9. Hydrogen trapping properties of Zr-based intermetallic compounds in the presence of CO contaminant gas

    Energy Technology Data Exchange (ETDEWEB)

    Prigent, Jocelyn [Chimie Metallurgie des Terres Rares, ICMPE-UMR 7182, CNRS, 2-8 rue Henri Dunant, 94320 Thiais (France); Latroche, Michel, E-mail: latroche@icmpe.cnrs.fr [Chimie Metallurgie des Terres Rares, ICMPE-UMR 7182, CNRS, 2-8 rue Henri Dunant, 94320 Thiais (France); Leoni, Elisa; Rohr, Valentin [AREVA NC, 1, rue des Herons, 78182 Montigny Le Bretonneux (France)

    2011-09-15

    Research highlights: > Hydrogen absorption in the presence of carbon monoxide is reported for several Zr rich intermetallic compounds. > Absorption rates have been determined and compared for pure and CO-containing hydrogen gases. > Using intermetallic compounds as getter materials in the presence of contaminant gases has been demonstrated. - Abstract: Intermetallic compounds, as hydrogen getters, are considered to control the quantity of hydrogen generated in radioactive waste packaging. The compounds ZrCo, Zr{sub 2}Fe and a Zr-rich Zr-Ti-V alloy have been chosen as they form very stable hydrides at ambient temperature. However, other gases are produced in the packaging such as carbon monoxide, a gas known to poison the surface of intermetallic compounds and to hinder the hydrogen sorption reaction. The three Zr-based compounds have been first characterized regarding their metallurgical state and their gas sorption properties toward pure hydrogen. Then, the sorption properties of the activated materials have been studied using a mixture of 5 vol.% CO + 95 vol.% H{sub 2}. We demonstrated that though the presence of CO sharply slows down the reaction rate the activated compounds still show significant sorption properties. Therefore, the presence of contaminant gases is not detrimental for the target application.

  10. The Zintl-Klemm concept applied to cations in oxides. I. The structures of ternary aluminates.

    Science.gov (United States)

    Santamaría-Pérez, David; Vegas, Angel

    2003-06-01

    The structures of 94 ternary aluminates are reinterpreted on the basis of the Zintl-Klemm concept and Pearson's generalized octet rule. In aluminates of highly electropositive metals such as alkali, alkaline-earth and rare-earth metals, the Al atoms form three-dimensional skeleta which can be interpreted as if the Al atoms were behaving as Zintl polyanions, adopting the structure of either main-group elements or Zintl polyanions showing the same connectivity. The O atoms are then located close to both the hypothetical two-electron bonds and the lone pairs, giving rise to a tetrahedral coordination. When more electronegative elements, such as W or Si, are present in the compound, the electron transfer towards the Al atoms does not take place. In this case, aluminium behaves as a base, transferring its electrons to the more electronegative atoms and the coordination sphere of aluminium becomes octahedral. In some compounds the Al atoms clearly show amphoteric character so that some Al atoms act as donors (bases) and hence are octahedrally coordinated, whereas others behave as acceptors (acids), adopting a tetrahedral coordination. From this it is concluded that the coordination sphere of aluminium is not a function of the ionic radius of the Al(3+) cations, but it depends on the nature of the other cations accompanying them in the structure. The networks formed by these aluminates are, in many instances, similar to those of the binary oxides of the main-group elements. For this reason, a systematic survey of these oxides is also reported. Compounds such as stuffed cristobalites and trydimites and also perovskites are examples of this new interpretation. Perovskites are then reinterpreted as a stuffed pseudo-TeO(3) structure. Other families of compounds such as silicates and phosphates are susceptible to a similar interpretation. This study provides additional examples of how cations recognize themselves in spite of being embedded in an oxygen matrix.

  11. Synthesis, Structure and Properties of Melamine-Based pTHF-Urethane Supramolecular Compounds

    NARCIS (Netherlands)

    Öjelund, Karin; Loontjens, Ton; Steeman, Paul; Palmans, Anja; Maurer, Frans

    2003-01-01

    The properties of melamine based supramolecular compounds have been studied with rheological, thermal, mechanical, dielectric and scattering techniques and compared with similar covalently bonded materials. The complexes are based on a linear pTHF-diol (M¯n=1 000) connected via a diisocyanate with

  12. Radiation-induced decomposition of the purine bases within DNA and related model compounds

    International Nuclear Information System (INIS)

    Cadet, J.; Berger, M.

    1985-01-01

    This survey focuses on recent developments in the radiation chemistry of purine bases in nucleic acids and related model compounds. Both direct and indirect effects of ionizing radiation are investigated with special emphasis on the structural characterization of the final decomposition products of nucleic acid components. Available assays for monitoring radiation-induced base lesions are critically reviewed. (author)

  13. The Spectrophotometric Multicomponent Analysis of a Ternary Mixture of Paracetamol, Aspirin, and Caffeine by the Double Divisor-Ratio Spectra Derivative Method

    Directory of Open Access Journals (Sweden)

    Reza Hajian

    2013-01-01

    Full Text Available Double divisor-ratio spectra derivative method based on the spectrophotometric data was developed for the simultaneous analysis of a ternary mixture containing paracetamol, aspirin, and caffeine, without prior separation. This method is based on the use of the derivative of the ratio spectrum obtained by dividing the absorption spectrum of the ternary mixture by a standard spectrum of a mixture of two of the three compounds in the title mixture. The concentrations of three compounds in their mixture are determined by using their respective calibration graphs which are obtained by measuring the amplitude at either the maximum or minimum wavelengths selected. The selected wavelengths for determination of aspirin, caffeine, and paracetamol are 241.5, 256, and 258.5 nm, respectively. All of the solutions adjusted to pH 11 before recording the spectra in the range of 220 to 320 nm. Also, the mathematical explanation of the procedure is illustrated. The method was applied for the assay of Excedrin containing paracetamol, aspirin, and caffeine.

  14. Investigating compositional effects of atomic layer deposition ternary dielectric Ti-Al-O on metal-insulator-semiconductor heterojunction capacitor structure for gate insulation of InAlN/GaN and AlGaN/GaN

    Energy Technology Data Exchange (ETDEWEB)

    Colon, Albert; Stan, Liliana; Divan, Ralu; Shi, Junxia

    2016-11-01

    Gate insulation/surface passivation in AlGaN/GaN and InAlN/GaN heterojunction field-effect transistors is a major concern for passivation of surface traps and reduction of gate leakage current. However, finding the most appropriate gate dielectric materials is challenging and often involves a compromise of the required properties such as dielectric constant, conduction/valence band-offsets, or thermal stability. Creating a ternary compound such as Ti-Al-O and tailoring its composition may result in a reasonably good gate material in terms of the said properties. To date, there is limited knowledge of the performance of ternary dielectric compounds on AlGaN/GaN and even less on InAlN/GaN. To approach this problem, the authors fabricated metal-insulator-semiconductor heterojunction (MISH) capacitors with ternary dielectrics Ti-Al-O of various compositions, deposited by atomic layer deposition (ALD). The film deposition was achieved by alternating cycles of TiO2 and Al2O3 using different ratios of ALD cycles. TiO2 was also deposited as a reference sample. The electrical characterization of the MISH capacitors shows an overall better performance of ternary compounds compared to the pure TiO2. The gate leakage current density decreases with increasing Al content, being similar to 2-3 orders of magnitude lower for a TiO2:Al2O3 cycle ratio of 2:1. Although the dielectric constant has the highest value of 79 for TiO2 and decreases with increasing the number of Al2O3 cycles, it is maintaining a relatively high value compared to an Al2O3 film. Capacitance voltage sweeps were also measured in order to characterize the interface trap density. A decreasing trend in the interface trap density was found while increasing Al content in the film. In conclusion, our study reveals that the desired high-kappa properties of TiO2 can be adequately maintained while improving other insulator performance factors. The ternary compounds may be an excellent choice as a gate material for both

  15. The ternary system nickel-boron-silicon

    International Nuclear Information System (INIS)

    Lugscheider, E.; Reimann, H.; Knotek, O.

    1975-01-01

    The ternary system Nickel-Boron-Silicon was established at 850 0 C by means of X-ray diffraction, metallographic and micro-hardness examinations. The well known binary nickel borides and silicides resp. were confirmed. In the boron-silicon system two binary phases, SiBsub(4-x) with x approximately 0.7 and SiB 6 were found the latter in equilibrium with the β-rhombohedral boron. Confirming the two ternary silicon borides a greater homogeneity range was found for Ni 6 Si 2 B, the phase Nisub(4,6)Si 2 B published by Uraz and Rundqvist can better be described by the formula Nisub(4.29)Si 2 Bsub(1.43). In relation to further investigations we measured melting temperatures in ternary Ni-10 B-Si alloys by differential thermoanalysis. (author)

  16. Ternary chalcogenide micro-pseudocapacitors for on-chip energy storage

    KAUST Repository

    Kurra, Narendra

    2015-05-11

    We report the successful fabrication of a micro-pseudocapacitor based on ternary nickel cobalt sulfide for the first time, with performance substantially exceeding that of previously reported micro-pseudocapacitors based on binary sulfides. CoNi2S4 micro-pseudocapacitor exhibits a maximum energy density of 18.7 mWh/cm3 at a power density of 1163 mW/cm3, opens up an avenue for exploring new family of ternary oxides/sulfides based micro-pseudocapacitors.

  17. The effect of the head group on branched-alkyl chain surfactants in glycolipid/n-octane/water ternary system.

    Science.gov (United States)

    Nainggolan, Irwana; Radiman, Shahidan; Hamzah, Ahmad Sazali; Hashim, Rauzah

    2009-10-01

    Two novel glycolipids have been synthesized and their phase behaviour studied. They have been characterized using FT-IR, FAB and 13C NMR and 1H NMR to ensure the purity of novel glycolipids. The two glycolipids are distinguished based on the head group of glycolipids (monosaccharide/glucose and disaccharide/maltose). These two novel glycolipids have been used as surfactant to perform two phase diagrams. Phase behaviours that have been investigated are 2-hexyldecyl-beta-D-glucopyranoside (2-HDG)/n-octane/water ternary system and 2-hexyldecyl-beta-D-maltoside (2-HDM)/n-octane/water ternary system. SAXS and polarizing optical microscope have been used to study the phase behaviours of these two surfactants in ternary phase diagram. Study of effect of the head group on branched-alkyl chain surfactants in ternary system is a strategy to derive the structure-property relationship. For comparison, 2-HDM and 2-HDG have been used as surfactant in the same ternary system. The phase diagram of 2-hexyldecyl-beta-D-maltoside/n-octane/water ternary system exhibited a Lalpha phase at a higher concentration regime, followed with two phases and a micellar solution region in a lower concentration regime. The phase diagram of 2-HDG/water/n-octane ternary system shows hexagonal phase, cubic phase, rectangular ribbon phase, lamellar phase, cubic phase as the surfactant concentration increase.

  18. Assessing the recharge process and importance of montane water to adjacent tectonic valley-plain groundwater using a ternary end-member mixing analysis based on isotopic and chemical tracers

    Science.gov (United States)

    Peng, Tsung-Ren; Zhan, Wen-Jun; Tong, Lun-Tao; Chen, Chi-Tsun; Liu, Tsang-Sen; Lu, Wan-Chung

    2018-03-01

    A study in eastern Taiwan evaluated the importance of montane water contribution (MC) to adjacent valley-plain groundwater (VPG) in a tectonic suture zone. The evaluation used a ternary natural-tracer-based end-member mixing analysis (EMMA). With this purpose, VPG and three end-member water samples of plain precipitation (PP), mountain-front recharge (MFR), and mountain-block recharge (MBR) were collected and analyzed for stable isotopic compositions (δ 2H and δ 18O) and chemical concentrations (electrical conductivity (EC) and Cl-). After evaluation, Cl- is deemed unsuitable for EMMA in this study, and the contribution fractions of respective end members derived by the δ 18O-EC pair are similar to those derived by the δ 2H-EC pair. EMMA results indicate that the MC, including MFR and MBR, contributes at least 70% (679 × 106 m3 water volume) of the VPG, significantly greater than the approximately 30% of PP contribution, and greater than the 20-50% in equivalent humid regions worldwide. The large MC is attributable to highly fractured strata and the steep topography of studied catchments caused by active tectonism. Furthermore, the contribution fractions derived by EMMA reflect the unique hydrogeological conditions in the respective study sub-regions. A region with a large MBR fraction is indicative of active lateral groundwater flow as a result of highly fractured strata in montane catchments. On the other hand, a region characterized by a large MFR fraction may possess high-permeability stream beds or high stream gradients. Those hydrogeological implications are helpful for water resource management and protection authorities of the studied regions.

  19. A Josephson ternary associative memory cell

    International Nuclear Information System (INIS)

    Morisue, M.; Suzuki, K.

    1989-01-01

    This paper describes a three-valued content addressable memory cell using a Josephson complementary ternary logic circuit named as JCTL. The memory cell proposed here can perform three operations of searching, writing and reading in ternary logic system. The principle of the memory circuit is illustrated in detail by using the threshold-characteristics of the JCTL. In order to investigate how a high performance operation can be achieved, computer simulations have been made. Simulation results show that the cycle time of memory operation is 120psec, power consumption is about 0.5 μW/cell and tolerances of writing and reading operation are +-15% and +-24%, respectively

  20. Thin films of mixed metal compounds

    Science.gov (United States)

    Mickelsen, R.A.; Chen, W.S.

    1985-06-11

    Disclosed is a thin film heterojunction solar cell, said heterojunction comprising a p-type I-III-IV[sub 2] chalcopyrite substrate and an overlying layer of an n-type ternary mixed metal compound wherein said ternary mixed metal compound is applied to said substrate by introducing the vapor of a first metal compound to a vessel containing said substrate from a first vapor source while simultaneously introducing a vapor of a second metal compound from a second vapor source of said vessel, said first and second metals comprising the metal components of said mixed metal compound; independently controlling the vaporization rate of said first and second vapor sources; reducing the mean free path between vapor particles in said vessel, said gas being present in an amount sufficient to induce homogeneity of said vapor mixture; and depositing said mixed metal compound on said substrate in the form of a uniform composition polycrystalline mixed metal compound. 5 figs.

  1. Metabolomics-Based Screening of Biofilm-Inhibitory Compounds against Pseudomonas aeruginosa from Burdock Leaf

    Directory of Open Access Journals (Sweden)

    Zaixiang Lou

    2015-09-01

    Full Text Available Screening of anti-biofilm compounds from the burdock leaf based on metabolomics is reported here. The crystal violet assay indicated 34% ethanol elution fraction of burdock leaf could completely inhibit biofilm formation of Pseudomonas aeruginosa at 1 mg·mL−1. Then, the chemical composition of burdock leaf fraction was analyzed by ultra-performance liquid chromatography-mass spectrometry (UPLC-MS and 11 active compounds (chlorogenic acid, caffeic acid, p-coumaric acid, quercetin, ursolic acid, rutin, cynarin, luteolin, crocin, benzoic acid, and Tenacissoside I were identified. Lastly, UPLC-MS analysis was employed to obtain the metabolic fingerprints of burdock leaf fractions before and after inhibiting the biofilm of Pseudomonas aeruginosa. The metabolic fingerprints were transformed to data, analyzed with PLS-DA (partial least squares discriminant analysis and the peaks whose area was significantly changed were found out. Thus, 81 compounds were screened as potential anti-biofilm ingredients. Among them, rutin, ursolic acid, caffeic acid, p-coumaric acid and quercetin were identified and confirmed as the main anti-biofilm compounds in burdock leaf. The study provided basic anti-biofilm profile data for the compounds in burdock leaf, as well as provided a convenient method for fast screening of anti-biofilm compounds from natural plants.

  2. Evaluating the mutagenic potential of aerosol organic compounds using informatics-based screening

    Science.gov (United States)

    Decesari, Stefano; Kovarich, Simona; Pavan, Manuela; Bassan, Arianna; Ciacci, Andrea; Topping, David

    2018-02-01

    Whilst general policy objectives to reduce airborne particulate matter (PM) health effects are to reduce exposure to PM as a whole, emerging evidence suggests that more detailed metrics associating impacts with different aerosol components might be needed. Since it is impossible to conduct toxicological screening on all possible molecular species expected to occur in aerosol, in this study we perform a proof-of-concept evaluation on the information retrieved from in silico toxicological predictions, in which a subset (N = 104) of secondary organic aerosol (SOA) compounds were screened for their mutagenicity potential. An extensive database search showed that experimental data are available for 13 % of the compounds, while reliable predictions were obtained for 82 %. A multivariate statistical analysis of the compounds based on their physico-chemical, structural, and mechanistic properties showed that 80 % of the compounds predicted as mutagenic were grouped into six clusters, three of which (five-membered lactones from monoterpene oxidation, oxygenated multifunctional compounds from substituted benzene oxidation, and hydroperoxides from several precursors) represent new candidate groups of compounds for future toxicological screenings. These results demonstrate that coupling model-generated compositions to in silico toxicological screening might enable more comprehensive exploration of the mutagenic potential of specific SOA components.

  3. A new feedback image encryption scheme based on perturbation with dynamical compound chaotic sequence cipher generator

    Science.gov (United States)

    Tong, Xiaojun; Cui, Minggen; Wang, Zhu

    2009-07-01

    The design of the new compound two-dimensional chaotic function is presented by exploiting two one-dimensional chaotic functions which switch randomly, and the design is used as a chaotic sequence generator which is proved by Devaney's definition proof of chaos. The properties of compound chaotic functions are also proved rigorously. In order to improve the robustness against difference cryptanalysis and produce avalanche effect, a new feedback image encryption scheme is proposed using the new compound chaos by selecting one of the two one-dimensional chaotic functions randomly and a new image pixels method of permutation and substitution is designed in detail by array row and column random controlling based on the compound chaos. The results from entropy analysis, difference analysis, statistical analysis, sequence randomness analysis, cipher sensitivity analysis depending on key and plaintext have proven that the compound chaotic sequence cipher can resist cryptanalytic, statistical and brute-force attacks, and especially it accelerates encryption speed, and achieves higher level of security. By the dynamical compound chaos and perturbation technology, the paper solves the problem of computer low precision of one-dimensional chaotic function.

  4. Design and analysis of 2T-2M Ternary content addressable memories

    KAUST Repository

    Bahloul, M. A.

    2017-10-24

    Associate and approximate computing using resistive memory based Ternary Content Addressable Memory is becoming widely used. In this paper, a simplified model based analysis of a 2T2M-Ternary Content Addressable Memory using memristors is introduced. A comprehensive study is presented taking into consideration different circuit parameters and parasitic effects. Parameters such as the memristor Rh/Rl ratio, transistor technology, operating frequency, and memory width are taken into consideration. The proposed model is verified with SPICE showing a high degree of matching between theory and simulation. The utility of the model is established using a design example.

  5. Recycling of Gamma Irradiated Inner Tubes in Butyl Based Rubber Compound

    International Nuclear Information System (INIS)

    Karaagac, B.

    2006-01-01

    Crosslinked elastomeric materials, such as tyres are of great challenge concerning the environmental and ecological reasons. Ionizing radiation seems to offer unique opportunities to tackle the problem of recycling of polymers and rubbers on account of its ability to cause chain scission and/or cross-linking of polymeric materials. There is only limited amount of work reported on the irradiation-induced degradation of rubbers. Unlike the majority of the elastomers with high levels of unsaturation, butyl rubber exhibits significant degradation by ionizing radiation action. In this study, recycling of gamma irradiated inner tubes made of butyl rubber in butyl based rubber compounds was studied. Used inner tubes were irradiated with gamma rays in air at 100 and 120 kGy absorbed doses. The compatibility of irradiated inner tubes with virgin butyl rubber was first investigated. Gamma irradiated inner tube wastes were replaced with butyl rubber up to 15 phr in the compound recipe. Similar recipes were also prepared by using the same quantity of commercial butyl rubber crumbs devulcanized by conventional methods. The rheological and mechanical properties and carbon black dispersion degree for both types of compounds prepared by using inner tubes scraps and commercial butyl crumbs were measured and were compared to the values of virgin butyl rubber compound. It is well known that mechanical properties are deteriorated when rubber crumb is added to the virgin compound. It was observed that the decrease in the mechanical properties was much lower for the compounds prepared from the tubes irradiated at 120 kGy than irradiated at 100 kGy. The better mechanical properties were obtained for the compounds prepared by recycling of irradiated inner tubes at 120 kGy than the compounds prepared by using commercial butyl crumbs. Almost similar carbon black distributions were observed for the all compounds studied. It has been concluded that gamma irradiated inner tubes are compatible

  6. Synthesis and characterization of a novel stationary phase, Si-Zr/Ti(PMTDS), based upon ternary oxide support for high performance liquid chromatography

    Energy Technology Data Exchange (ETDEWEB)

    Amparo, Maura R.; Marques, Fabiana A.; Faria, Anizio M., E-mail: anizio@pontal.ufu.br [Universidade Federal de Uberlandia (FACIP/UFU), Ituiutaba, MG (Brazil). Faculdade de Ciencias Integradas do Pontal

    2013-09-15

    A new stationary phase based on the thermal immobilization of poly(methyltetradecylsiloxane) (PMTDS) on silica particles coated with a mixture of zirconia and titania was prepared and evaluated for the chromatographic separation of test mixtures. The spherical particles were characterized by elemental analysis, SEM, FTIR and {sup 29}Si NMR. The physicochemical properties of PMTDS phase supported on Si-Zr/Ti were intermediate between PMTDS phases supported on titanized silica and zirconized silica. The chromatographic performance of Si-Zr/Ti(PMTDS) phase was similar to PMTDS phases based on metal oxide coated silica having only one metal oxide and the preparation of a Si-Zr/Ti(PMTDS) phase allowed evaluation of the effect of each oxide, zirconia and titania, on the separation process and on the stability of the immobilized polymer phase. The hydrolytic stability of Si-Zr/Ti(PMTDS) stationary phase was similar to the Si-Ti(PMTDS) phase, improving the chemical stability of the silica-based PMTDS phase by about 100%. (author)

  7. Contact-based ligand-clustering approach for the identification of active compounds in virtual screening

    Directory of Open Access Journals (Sweden)

    Mantsyzov AB

    2012-09-01

    Full Text Available Alexey B Mantsyzov,1 Guillaume Bouvier,2 Nathalie Evrard-Todeschi,1 Gildas Bertho11Université Paris Descartes, Sorbonne, Paris, France; 2Institut Pasteur, Paris, FranceAbstract: Evaluation of docking results is one of the most important problems for virtual screening and in silico drug design. Modern approaches for the identification of active compounds in a large data set of docked molecules use energy scoring functions. One of the general and most significant limitations of these methods relates to inaccurate binding energy estimation, which results in false scoring of docked compounds. Automatic analysis of poses using self-organizing maps (AuPosSOM represents an alternative approach for the evaluation of docking results based on the clustering of compounds by the similarity of their contacts with the receptor. A scoring function was developed for the identification of the active compounds in the AuPosSOM clustered dataset. In addition, the AuPosSOM efficiency for the clustering of compounds and the identification of key contacts considered as important for its activity, were also improved. Benchmark tests for several targets revealed that together with the developed scoring function, AuPosSOM represents a good alternative to the energy-based scoring functions for the evaluation of docking results.Keywords: scoring, docking, virtual screening, CAR, AuPosSOM

  8. Ternary metal-rich sulfide with a layered structure

    Science.gov (United States)

    Franzen, Hugo F.; Yao, Xiaoqiang

    1993-08-17

    A ternary Nb-Ta-S compound is provided having the atomic formula, Nb.sub.1.72 Ta.sub.3.28 S.sub.2, and exhibiting a layered structure in the sequence S-M3-M2-M1-M2-M3-S wherein S represents sulfur layers and M1, M2, and M3 represent Nb/Ta mixed metal layers. This sequence generates seven sheets stacked along the [001] direction of an approximate body centered cubic crystal structure with relatively weak sulfur-to-sulfur van der Waals type interactions between adjacent sulfur sheets and metal-to-metal bonding within and between adjacent mixed metal sheets.

  9. The ternary system: silicon-uranium-vanadium

    Energy Technology Data Exchange (ETDEWEB)

    Noel, Henri [Laboratoire de Chimie du Solide et Materiaux, UMR-CNRS 6226, Universite de Rennes I, Avenue du General Leclerc, F-35042 Rennes, Cedex (France); Rogl, Peter Franz, E-mail: peter.franz.rogl@univie.ac.a [Institute of Physical Chemistry, University of Vienna, A-1090 Wien, Waehringerstrasse 42 (Austria)

    2010-09-01

    Phase equilibria in the system Si-U-V were established at 1100 {sup o}C by optical microscopy, EMPA and X-ray diffraction. Two ternary compounds were observed, U{sub 2}V{sub 3}Si{sub 4} and (U{sub 1-x}V{sub x}){sub 5}Si{sub 3}, for which the crystal structures were elucidated by X-ray powder data refinement and found to be isotypic with the monoclinic U{sub 2}Mo{sub 3}Si{sub 4}-type (space group P2{sub 1}/c; a = 0.6821(3), b = 0.6820(4), c = 0.6735(3) nm, {beta} = 109.77(1){sup o}) and the tetragonal W{sub 5}Si{sub 3}-type (space group I4/mcm, a = 1.06825(2), c = 0.52764(2) nm), respectively. (U{sub 1-x}V{sub x}){sub 5}Si{sub 3} appears at 1100 {sup o}C without any significant homogeneity region at x {approx} 0.2 resulting in a formula U{sub 4}VSi{sub 3} which corresponds to a fully ordered atom arrangement. DTA experiments clearly show decomposition of this phase above 1206 {sup o}C revealing a two-phase region U{sub 3}Si{sub 2} + V{sub 3}Si. At 1100 {sup o}C U{sub 4}VSi{sub 3} is in equilibrium with V{sub 3}Si, V{sub 5}Si{sub 3}, U{sub 3}Si{sub 2} and U(V). At 800 {sup o}C U{sub 4}VSi{sub 3} forms one vertex of the tie-triangle to U{sub 3}Si and V{sub 3}Si. Due to the rather high thermodynamic stability of V{sub 3}Si and the corresponding tie-lines V{sub 3}Si + liquid at 1100 {sup o}C and V{sub 3}Si + U(V) below 925 {sup o}C, no compatibility exists between U{sub 3}Si or U{sub 3}Si{sub 2} and vanadium metal.

  10. Monitoring ligand-dependent assembly of receptor ternary complexes in live cells by BRETFect.

    Science.gov (United States)

    Cotnoir-White, David; El Ezzy, Mohamed; Boulay, Pierre-Luc; Rozendaal, Marieke; Bouvier, Michel; Gagnon, Etienne; Mader, Sylvie

    2018-03-13

    There is currently an unmet need for versatile techniques to monitor the assembly and dynamics of ternary complexes in live cells. Here we describe bioluminescence resonance energy transfer with fluorescence enhancement by combined transfer (BRETFect), a high-throughput technique that enables robust spectrometric detection of ternary protein complexes based on increased energy transfer from a luciferase to a fluorescent acceptor in the presence of a fluorescent intermediate. Its unique donor-intermediate-acceptor relay system is designed so that the acceptor can receive energy either directly from the donor or indirectly via the intermediate in a combined transfer, taking advantage of the entire luciferase emission spectrum. BRETFect was used to study the ligand-dependent cofactor interaction properties of the estrogen receptors ERα and ERβ, which form homo- or heterodimers whose distinctive regulatory properties are difficult to dissect using traditional methods. BRETFect uncovered the relative capacities of hetero- vs. homodimers to recruit receptor-specific cofactors and regulatory proteins, and to interact with common cofactors in the presence of receptor-specific ligands. BRETFect was also used to follow the assembly of ternary complexes between the V2R vasopressin receptor and two different intracellular effectors, illustrating its use for dissection of ternary protein-protein interactions engaged by G protein-coupled receptors. Our results indicate that BRETFect represents a powerful and versatile technique to monitor the dynamics of ternary interactions within multimeric complexes in live cells.

  11. A metallic solution model with adjustable parameter for describing ternary thermodynamic properties from its binary constituents

    International Nuclear Information System (INIS)

    Fang Zheng; Qiu Guanzhou

    2007-01-01

    A metallic solution model with adjustable parameter k has been developed to predict thermodynamic properties of ternary systems from those of its constituent three binaries. In the present model, the excess Gibbs free energy for a ternary mixture is expressed as a weighted probability sum of those of binaries and the k value is determined based on an assumption that the ternary interaction generally strengthens the mixing effects for metallic solutions with weak interaction, making the Gibbs free energy of mixing of the ternary system more negative than that before considering the interaction. This point is never considered in the models currently reported, where the only difference in a geometrical definition of molar values of components is considered that do not involve thermodynamic principles but are completely empirical. The current model describes the results of experiments very well, and by adjusting the k value also agrees with those from models used widely in the literature. Three ternary systems, Mg-Cu-Ni, Zn-In-Cd, and Cd-Bi-Pb are recalculated to demonstrate the method of determining k and the precision of the model. The results of the calculations, especially those in Mg-Cu-Ni system, are better than those predicted by the current models in the literature

  12. First-principles study of ternary bcc alloys using special quasi-random structures

    International Nuclear Information System (INIS)

    Jiang Chao

    2009-01-01

    Using a combination of exhaustive enumeration and Monte Carlo simulated annealing, we have developed special quasi-random structures (SQSs) for ternary body-centered cubic (bcc) alloys with compositions of A 1 B 1 C 1 , A 2 B 1 C 1 , A 6 B 1 C 1 and A 2 B 3 C 3 , respectively. The structures possess local pair and multisite correlation functions that closely mimic those of the random bcc alloy. We employed the SQSs to predict the mixing enthalpies, nearest neighbor bond length distributions and electronic density of states of bcc Mo-Nb-Ta and Mo-Nb-V solid solutions. Our convergence tests indicate that even small-sized SQSs can give reliable results. Based on the SQS energetics, the predicting powers of the existing empirical ternary extrapolation models were assessed. The present results suggest that it is important to take into account the ternary interaction parameter in order to accurately describe the thermodynamic behaviors of ternary alloys. The proposed SQSs are quite general and can be applied to other ternary bcc alloys.

  13. Comparative instrumental evaluation of efficacy and safety between a binary and a ternary system in chemexfoliation.

    Science.gov (United States)

    Cameli, Norma; Mariano, Maria; Ardigò, Marco; Corato, Cristina; De Paoli, Gianfranco; Berardesca, Enzo

    2017-09-20

    To instrumentally evaluate the efficacy and the safety of a new ternary system chemo exfoliating formulation (water-dimethyl isosorbide-acid) vs traditional binary systems (water and acid) where the acid is maintained in both the systems at the same concentration. Different peelings (binary system pyruvic acid and trichloroacetic acid-TCA, and ternary system pyruvic acid and TCA) were tested on the volar forearm of 20 volunteers of both sexes between 28 and 50 years old. The outcomes were evaluated at the baseline, 10 minutes, 24 hours, and 1 week after the peeling by means of noninvasive skin diagnosis techniques. In vivo reflectance confocal microscopy was used for stratum corneum evaluation, transepidermal waterloss, and Corneometry for skin barrier and hydration, Laser Doppler velocimetry in association with colorimetry for irritation and erythema analysis. The instrumental data obtained showed that the efficacy and safety of the new ternary system peel compounds were significantly higher compared with the binary system formulations tested. The new formulation peels improved chemexfoliation and reduced complications such as irritation, redness, and postinflammatory pigmentation compared to the traditional aqueous solutions. The study showed that ternary system chemexfoliation, using a controlled delivery technology, was able to provide the same clinical effects in term of stratum corneum reduction with a significantly reduced barrier alteration, water loss, and irritation/erythema compared to traditional binary system peels. © 2017 Wiley Periodicals, Inc.

  14. Phase Equilibria of the Fe-Ni-Sn Ternary System at 270°C

    Science.gov (United States)

    Huang, Tzu-Ting; Lin, Shih-Wei; Chen, Chih-Ming; Chen, Pei Yu; Yen, Yee-Wen

    2016-12-01

    The Fe-42 wt.% Ni alloy, also known as a 42 invar alloy (Alloy 42), is used as a lead-frame material because its thermal expansion coefficient is much closer to Si substrate than Cu or Ni substrates. In order to enhance the wettability between the substrate and solder, the Sn layer was commonly electroplated onto the Alloy 42 surface. A clear understanding of the phase equilibria of the Fe-Ni-Sn ternary system is necessary to ensure solder-joint reliability between Sn and Fe-Ni alloys. To determine the isothermal section of the Fe-Ni-Sn ternary system at 270°C, 26 Fe-Ni-Sn alloys with different compositions were prepared. The experimental results confirmed the presence of the Fe3Ni and FeNi phases at 270°C. Meanwhile, it observed that the isothermal section of the Fe-Ni-Sn ternary system was composed of 11 single-phase regions, 19 two-phase regions and nine tie-triangles. Moreover, no ternary compounds were found in the Fe-Ni-Sn system at 270°C.

  15. In vitro antioxidant activity of new thiophene ring-based compounds ...

    African Journals Online (AJOL)

    In vitro antioxidant activity of new thiophene ring-based compounds. Sridhara Murthy, Mohammed Naseeruddin Inamdar, Shamanna Mohan, Rajesh Kale. Abstract. Free radicals are implicated in causation of various histo-pathological disturbances like myocardial ischemia injury, cancer, neurodegenerative diseases, ...

  16. Implementation of DFT application on ternary optical computer

    Science.gov (United States)

    Junjie, Peng; Youyi, Fu; Xiaofeng, Zhang; Shuai, Kong; Xinyu, Wei

    2018-03-01

    As its characteristics of huge number of data bits and low energy consumption, optical computing may be used in the applications such as DFT etc. which needs a lot of computation and can be implemented in parallel. According to this, DFT implementation methods in full parallel as well as in partial parallel are presented. Based on resources ternary optical computer (TOC), extensive experiments were carried out. Experimental results show that the proposed schemes are correct and feasible. They provide a foundation for further exploration of the applications on TOC that needs a large amount calculation and can be processed in parallel.

  17. Electrical resistivity of liquid binary and ternary alloys

    International Nuclear Information System (INIS)

    Ornat, M.; Paja, A.

    2011-01-01

    New method of calculation of the electrical resistivity of liquid and amorphous alloys is presented. The method is based on the Morgan-Howson-Saub (MHS) model but the pseudopotentials are replaced by the scattering matrix operators. The Fermi energy is properly determined by the accurate values of the phase shifts. The model depends on a very small number of universal parameters and gives stable results. The calculated values of the resistivity agree well with available experimental data for a substantial number of binary alloys. Moreover, the results for some ternary alloys were also obtained. (orig.)

  18. Growth and Electronic Structure of Heusler Compounds for Use in Electron Spin Based Devices

    Science.gov (United States)

    Patel, Sahil Jaykumar

    Spintronic devices, where information is carried by the quantum spin state of the electron instead of purely its charge, have gained considerable interest for their use in future computing technologies. For optimal performance, a pure spin current, where all electrons have aligned spins, must be generated and transmitted across many interfaces and through many types of materials. While conventional spin sources have historically been elemental ferromagnets, like Fe or Co, these materials pro duce only partially spin polarized currents. To increase the spin polarization of the current, materials like half-metallic ferromagnets, where there is a gap in the minority spin density of states around the Fermi level, or topological insulators, where the current transport is dominated by spin-locked surface states, show promise. A class of materials called Heusler compounds, with electronic structures that range from normal metals, to half metallic ferromagnets, semiconductors, superconductors and even topological insulators, interfaces well with existing device technologies, and through the use of molecular beam epitaxy (MBE) high quality heterostructures and films can be grown. This dissertation examines the electronic structure of surfaces and interfaces of both topological insulator (PtLuSb-- and PtLuBi--) and half-metallic ferromagnet (Co2MnSi-- and Co2FeSi--) III-V semiconductor heterostructures. PtLuSb and PtLuBi growth by MBE was demonstrated on Alx In1--xSb (001) ternaries. PtLuSb (001) surfaces were observed to reconstruct with either (1x3) or c(2x2) unit cells depending on Sb overpressure and substrate temperature. viii The electronic structure of these films was studied by scanning tunneling microscopy/spectroscopy (STM/STS) and photoemission spectroscopy. STS measurements as well as angle resolved photoemission spectropscopy (ARPES) suggest that PtLuSb has a zero-gap or semimetallic band structure. Additionally, the observation of linearly dispersing surface

  19. Angular distribution in ternary cold fission

    International Nuclear Information System (INIS)

    Delion, D.S.; J.W. Goethe Univ., Frankfurt; Sandulescu, A.; J.W. Goethe Univ., Frankfurt; Greiner, W.

    2003-01-01

    We describe the spontaneous ternary cold fission of 252 Cf, accompanied by 4 He, 10 Be and 14 C. The light cluster decays from the first resonant eigenstate in the Coulomb potential plus a harmonic oscillator potential. We have shown that the angular distribution of the emitted light particle is strongly connected with its deformation and the equatorial distance. (author)

  20. Superconducting state parameters of ternary metallic glasses

    Indian Academy of Sciences (India)

    Quadratic T C equations have been proposed and found successful. Also, the present findings are found to be in qualitative agreement with other such earlier reported data, which confirms the superconducting phase in the ternary superconductors. The pseudo-alloy-atom (PAA) model was applied for the first time instead of ...

  1. The use of ternary mixtures in concrete.

    Science.gov (United States)

    2014-05-01

    This manual is a summary of the findings of a comprehensive study. Its purpose is to provide engineers with the information they need to make educated decisions on the use of ternary mixtures for constructing concrete structures. It discusses the eff...

  2. TERNARY ALLOYS OF URANIUM, COLUMBIUM, AND ZIRCONIUM

    Science.gov (United States)

    Foote, F.G.

    1960-08-01

    Ternary alloys of uranium are described which are useful as neutron- reflecting materials in a fast neutron reactor. They are especially resistant to corrosion caused by oxidative processes of gascous or aqueous origin and comprise uranium as the predominant metal with zirconiunn and niobium wherein the total content of the minor alloying elements is between 2 and 8% by weight.

  3. Superconducting state parameters of ternary metallic glasses

    Indian Academy of Sciences (India)

    Administrator

    to binary metallic glasses. They are of interest since third element can modify the physical properties of binary metallic glasses and can also be used as a probe to study the host. ..... conducting nature in the present case. When we. Figure 6. Variation of transition temperature (TC) with valance (Z) of ternary metallic glasses.

  4. Ternary alloy nanocatalysts for hydrogen evolution reaction

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 39; Issue 2. Ternary alloy nanocatalysts for ... It is to be noted that synthesis of nanocrystallineternary alloys with precise composition is a big challenge which can be overcome by choosing an appropriate microemulsion system. High electrocatalytic activity towards ...

  5. Mechanical properties of C40-based ternary Mo(Si,Al)2 and quaternary (Mo,Zr)(Si,Al)2 silicides

    International Nuclear Information System (INIS)

    Hagihara, K.; Nakano, T.; Umakoshi, Y.

    1998-01-01

    Refractory silicides with transition metals are of interest as structural materials operating at very high temperatures to improve energy efficiency. MoSi 2 is particularly attractive because of its high melting point (2,030 C), relatively low density (6.24 g/cm 3 ), superior oxidation resistance and high thermal conductivity. Nevertheless, MoSi 2 still has several problems which must be overcome before structural application. In this paper an attempt to improve the ductility, toughness and high-temperature strength of C40-based MoSi 2 silicides was made by controlling additional Al and Zr contents in order to change the ductility, species of the constituent phase and the volume fraction of each phase

  6. Ternary supramolecular quantum-dot network flocculation for selective lectin detection

    NARCIS (Netherlands)

    Oikonomou, Maria; Wang, Junyou; Carvalho, Rui Rijo; Velders, Aldrik H.

    2016-01-01

    We present a versatile, tuneable, and selective nanoparticle-based lectin biosensor, based on flocculation of ternary supramolecular nanoparticle networks (NPN), formed through the sequential binding of three building blocks. The three building blocks are β-cyclodextrin-capped CdTe quantum dots,

  7. Facile aerosol synthesis and characterization of ternary crumpled graphene-TiO₂-magnetite nanocomposites for advanced water treatment.

    Science.gov (United States)

    Jiang, Yi; Wang, Wei-Ning; Biswas, Pratim; Fortner, John D

    2014-07-23

    In this work, the synthesis and characterization of multifunctional crumpled graphene-based ternary nanocomposite photocatalysts for advanced water treatment applications is described. Currently, a major hurdle for the scale-up and optimization of aqueous, graphene-based photocatalysts is restacking of graphene nanosheets due to strong π-π interactions. To overcome this hurdle, a fast and facile aerosol technique to synthesize monomeric, aggregation-resistant, crumpled graphene-based photocatalysts was developed. The aerosol route utilizes water evaporation-induced confinement forces to effectively crumple graphene oxide and subsequently encapsulate commercially available TiO2 and magnetite nanoparticles. The as-synthesized crumpled graphene-TiO2-magnetite (GOTIM) ternary core-shell nanostructures are shown to possess superior aqueous-based photocatalytic properties (over a 20-fold enhancement in some cases) compared to TiO2 alone. Total GOTIM photocatalytic reactivity is confirmed to also include efficient photoreduction reaction pathways, in addition to expected oxidation routes typical of TiO2-based photocatalysts, significantly expanding photocatalytic application potential compared to TiO2 alone. Reaction kinetics and proposed mechanisms (both oxidative and reductive) are described for a model organic compound, here as methyl orange. Further, with the addition of hole scavengers such as EDTA, and/or lowering the O2 concentration, we demonstrate enhancement of photocatalyzed reduction reactions, suggesting potential for directed, controlled reduction applications. In addition to robust aqueous stability, low-field magnetic susceptibility is demonstrated, allowing for low-energy, in situ material separations, which are critical for material recycling and reuse.

  8. Design of a novel quantum reversible ternary up-counter

    Science.gov (United States)

    Houshmand, Pouran; Haghparast, Majid

    2015-08-01

    Reversible logic has been recently considered as an interesting and important issue in designing combinational and sequential circuits. The combination of reversible logic and multi-valued logic can improve power dissipation, time and space utilization rate of designed circuits. Only few works have been reported about sequential reversible circuits and almost there are no paper exhibited about quantum ternary reversible counter. In this paper, first we designed 2-qutrit and 3-qutrit quantum reversible ternary up-counters using quantum ternary reversible T-flip-flop and quantum reversible ternary gates. Then we proposed generalized quantum reversible ternary n-qutrit up-counter. We also introduced a new approach for designing any type of n-qutrit ternary and reversible counter. According to the results, we can conclude that applying second approach quantum reversible ternary up-counter is better than the others.

  9. Leaching characteristics of calcium-based compounds in MSWI Residues: From the viewpoint of clogging risk.

    Science.gov (United States)

    Xia, Yi; Zhang, Hua; Phoungthong, Khamphe; Shi, Dong-Xiao; Shen, Wen-Hui; Shao, Li-Ming; He, Pin-Jing

    2015-08-01

    Leachate collection system (LCS) clogging caused by calcium precipitation would be disadvantageous to landfill stability and operation. Meanwhile, calcium-based compounds are the main constituents in both municipal solid waste incineration bottom ash (MSWIBA) and stabilized air pollution control residues (SAPCR), which would increase the risk of LCS clogging once these calcium-rich residues were disposed in landfills. The leaching behaviors of calcium from the four compounds and municipal solid waste incineration (MSWI) residues were studied, and the influencing factors on leaching were discussed. The results showed that pH was the crucial factor in the calcium leaching process. CaCO3 and CaSiO3 began leaching when the leachate pH decreased to less than 7 and 10, respectively, while Ca3(PO4)2 leached at pHleaching rate for the different calcium-based compounds is as follows: CaSiO3>Ca3(PO4)2>CaCO3. The calcium leaching from the MSWIBA and SAPCR separately started from pHleaching respectively, which was proven by the X-ray diffraction results. Based on the leaching characteristics of the different calcium compounds and the mineral phase of calcium in the incineration residues, simulated computation of their clogging potential was conducted, providing the theoretical basis for the risk assessment pertaining to LCS clogging in landfills. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. FilTer BaSe: A web accessible chemical database for small compound libraries.

    Science.gov (United States)

    Kolte, Baban S; Londhe, Sanjay R; Solanki, Bhushan R; Gacche, Rajesh N; Meshram, Rohan J

    2018-03-01

    Finding novel chemical agents for targeting disease associated drug targets often requires screening of large number of new chemical libraries. In silico methods are generally implemented at initial stages for virtual screening. Filtering of such compound libraries on physicochemical and substructure ground is done to ensure elimination of compounds with undesired chemical properties. Filtering procedure, is redundant, time consuming and requires efficient bioinformatics/computer manpower along with high end software involving huge capital investment that forms a major obstacle in drug discovery projects in academic setup. We present an open source resource, FilTer BaSe- a chemoinformatics platform (http://bioinfo.net.in/filterbase/) that host fully filtered, ready to use compound libraries with workable size. The resource also hosts a database that enables efficient searching the chemical space of around 348,000 compounds on the basis of physicochemical and substructure properties. Ready to use compound libraries and database presented here is expected to aid a helping hand for new drug developers and medicinal chemists. Copyright © 2017 Elsevier Inc. All rights reserved.

  11. Response surface methodology based optimization of diesel–n-butanol –cotton oil ternary blend ratios to improve engine performance and exhaust emission characteristics

    International Nuclear Information System (INIS)

    Atmanlı, Alpaslan; Yüksel, Bedri; İleri, Erol; Deniz Karaoglan, A.

    2015-01-01

    Highlights: • RSM based optimization for optimum blend ratio of diesel fuel, n-butanol and cotton oil was done. • 65.5 vol.% diesel fuel, 23.1 vol.% n-butanol and 11.4 vol.% cotton oil (DnBC) was determined. • DnBC decreased brake torque, brake power, BTE and BMEP, while increased BSFC. • DnBC decreased NO x , CO and HC emissions. - Abstract: Many studies declare that 20% biodiesel is the optimum concentration for biodiesel–diesel fuel blends to improve performance. The present work focuses on finding diesel fuel, n-butanol, and cotton oil optimum blend ratios for diesel engine applications by using the response surface method (RSM). Experimental test fuels were prepared by choosing 7 different concentrations, where phase decomposition did not occur in the phase diagram of −10 °C. Experiments were carried out at full load conditions and the constant speed (2200 rpm) of maximum brake torque to determine engine performance and emission parameters. According to the test results of the engine, optimization was done by using RSM considering engine performance and exhaust emissions parameters, to identify the rates of concentrations of components in the optimum blend of three. Confirmation tests were employed to compare the output values of concentrations that were identified by optimization. The real experiment results and the R 2 actual values that show the relation between the outputs from the optimizations and real experiments were determined in high accordance. The optimum component concentration was determined as 65.5 vol.% diesel, 23.1 vol.% n-butanol and 11.4 vol.% cotton oil (DnBC). According to engine performance tests brake torque, brake power, BTE and BMEP of DnBC decreased while BSFC increased compared to those of diesel fuel. NO x , CO and HC emissions of DnBC drastically decreased as 11.33%, 45.17% and 81.45%, respectively

  12. A Novel Method for Detecting and Computing Univolatility Curves in Ternary Mixtures

    DEFF Research Database (Denmark)

    Shcherbakov, Nataliya; Rodriguez-Donis, Ivonne; Abildskov, Jens

    2017-01-01

    of the generalized univolatility and unidistribution curves in the three dimensional composition – temperature state space lead to a simple and efficient algorithm of computation of the univolatility curves. Two peculiar ternary systems, namely diethylamine – chloroform – methanol and hexane – benzene......Residue curve maps (RCMs) and univolatility curves are crucial tools for analysis and design of distillation processes. Even in the case of ternary mixtures, the topology of these maps is highly non-trivial. We propose a novel method allowing detection and computation of univolatility curves...... in homogeneous ternary mixtures independently of the presence of azeotropes, which is particularly important in the case of zeotropic mixtures. The method is based on the analysis of the geometry of the boiling temperature surface constrained by the univolatility condition. The introduced concepts...

  13. Isothermal sections of Eu(Ca, Zr, Ba)-Mn-Al ternary phase diagrams at 770 K

    International Nuclear Information System (INIS)

    Manyako, N.B.; Yanson, T.I.; Zarechnyuk, O.S.

    1988-01-01

    Isothermal cross sections of Eu(Ca, Sr, Ba)-Mn-Al state diagrams at 770 K are plotted by means of X-ray structural analysis. EuMn 2.3-3.6 Al 9.7-8.4 (ThMn 12 structure type) and Eu 2 Mn 5 Al 12 (eigenstructure type) two compound are found within Eu-Mn-Al system. Existance of CaMn 0.16- 0 .32 Al 1.84-1.68 compound (MgNi 2 structure type) is proved and CaMn 3.2-2.1 Al 8.8-9.9 compound (ThMn 12 type partially ordered structure) is found within Ca-Mn-Al system. Ternary compounds are not formed within Sr(Ba)-Mn-Al systems. Regions of stratification, occurring within Eu(Ca, Sr, Ba)-Mn systems, penetrate in ternary system

  14. Synthesis of g-C3N4-based NaYF4:Yb,Tm@TiO2 ternary composite with enhanced Vis/NIR-driven photocatalytic activities

    Science.gov (United States)

    Cheng, Erjian; Zhou, Shiqi; Li, Mohua; Li, Zhengquan

    2017-07-01

    Upconversion (UC) NaYF4:Yb,Tm nanocrystals (NCs) are capable of converting low-energy near-infrared (NIR) photons to high-energy ultraviolet (UV) and visible (Vis) photons. Integration of NaYF4:Yb,Tm with graphitic carbon nitride (g-C3N4) can extend the spectral response of g-C3N4 to the NIR range. However, photocatalytic activity of NaYF4:Yb,Tm/g-C3N4 is still severely limited by the high recombination rate of photo-generated (PG) electrons and holes (e-/h+) in the g-C3N4. Herein, we report a facile approach to fabricate a ternary nanocomposite consisting of NaYF4:Yb,Tm, TiO2 and g-C3N4. When NaYF4:Yb,Tm NCs were coated with a TiO2 shell and sequentially assembled with g-C3N4 nanosheets (NSs), a semiconductor heterojunction can be fabricated on the UC particles. The as-prepared nanocomposites possess an enhanced photocatalytic activity under Vis and/or NIR lights due to the formation of heterojunction and UC effect. The ternary nanocomposites have been characterized in detail and their photocatalytic mechanism is proposed. Such kind of ternary nanocomposites may provide a new scenario for the design and synthesis of composite photocatalysts for efficiently utilizing the Vis/NIR lights in environmental remedy.

  15. Structure-based virtual screening and characterization of a novel IL-6 antagonistic compound from synthetic compound database

    Directory of Open Access Journals (Sweden)

    Wang J

    2016-12-01

    Full Text Available Jing Wang,1,* Chunxia Qiao,1,* He Xiao,1 Zhou Lin,1 Yan Li,1 Jiyan Zhang,1 Beifen Shen,1 Tinghuan Fu,2 Jiannan Feng1 1Department of Molecular Immunology, Beijing Institute of Basic Medical Sciences, 2First Affiliated Hospital of PLA General Hospital, Beijing, People’s Republic of China *These authors contributed equally to this work Abstract: According to the three-dimensional (3D complex structure of (hIL-6·hIL-6R·gp 1302 and the binding orientation of hIL-6, three compounds with high affinity to hIL-6R and bioactivity to block hIL-6 in vitro were screened theoretically from the chemical databases, including 3D-Available Chemicals Directory (ACD and MDL Drug Data Report (MDDR, by means of the computer-guided virtual screening method. Using distance geometry, molecular modeling and molecular dynamics trajectory analysis methods, the binding mode and binding energy of the three compounds were evaluated theoretically. Enzyme-linked immunosorbent assay analysis demonstrated that all the three compounds could block IL-6 binding to IL-6R specifically. However, only compound 1 could effectively antagonize the function of hIL-6 and inhibit the proliferation of XG-7 cells in a dose-dependent manner, whereas it showed no cytotoxicity to SP2/0 or L929 cells. These data demonstrated that the compound 1 could be a promising candidate of hIL-6 antagonist. Keywords: virtual screening, structural optimization, human interlukin-6, small molecular antagonist, XG-7 cells, apoptosis

  16. Multi-view 3D echocardiography compounding based on feature consistency

    Science.gov (United States)

    Yao, Cheng; Simpson, John M.; Schaeffter, Tobias; Penney, Graeme P.

    2011-09-01

    Echocardiography (echo) is a widely available method to obtain images of the heart; however, echo can suffer due to the presence of artefacts, high noise and a restricted field of view. One method to overcome these limitations is to use multiple images, using the 'best' parts from each image to produce a higher quality 'compounded' image. This paper describes our compounding algorithm which specifically aims to reduce the effect of echo artefacts as well as improving the signal-to-noise ratio, contrast and extending the field of view. Our method weights image information based on a local feature coherence/consistency between all the overlapping images. Validation has been carried out using phantom, volunteer and patient datasets consisting of up to ten multi-view 3D images. Multiple sets of phantom images were acquired, some directly from the phantom surface, and others by imaging through hard and soft tissue mimicking material to degrade the image quality. Our compounding method is compared to the original, uncompounded echocardiography images, and to two basic statistical compounding methods (mean and maximum). Results show that our method is able to take a set of ten images, degraded by soft and hard tissue artefacts, and produce a compounded image of equivalent quality to images acquired directly from the phantom. Our method on phantom, volunteer and patient data achieves almost the same signal-to-noise improvement as the mean method, while simultaneously almost achieving the same contrast improvement as the maximum method. We show a statistically significant improvement in image quality by using an increased number of images (ten compared to five), and visual inspection studies by three clinicians showed very strong preference for our compounded volumes in terms of overall high image quality, large field of view, high endocardial border definition and low cavity noise.

  17. Characterization of carbon, nitrogen, oxygen and refractory metals in binary and ternary silicon-based films using ion beam methods; Caracterisation des elements: carbone, azote, oxygene et metal refractaire dans des depots binaires et ternaires a base de silicium par methodes d'analyse utilisant les faisceaux d'ions

    Energy Technology Data Exchange (ETDEWEB)

    Somatri-Bouamrane, R. [Lyon-1 Univ., 69 - Villeurbanne (France). Inst. de Physique Nucleaire]|[Universite Claude Bernard, 69 - Lyon (France)

    1996-12-19

    Ion beam methods (non Rutherford backscattering, nuclear reactions) have been carried out in order to characterize silicon-based films. The cross sections for the reactions {sup 12}C({alpha},{alpha}), {sup 14}N({alpha},{alpha}), {sup 16}O({alpha},{alpha}), {sup 28}Si({alpha},{alpha}) and {sup 14}N({alpha},p) have been measured within 2 and 7 MeV. CVD beta SiC films could be analyzed and the interface between silicon carbide and the (100) silicon substrate was studied. The epitaxial growth of the beta SiC film could be modelled by comparing the results obtained with ion beam analysis, infrared spectroscopy and electron microscopy. Moreover, the stoichiometry of low pressure CVD Me-Si-N (Me=Re, W, Ti, Ta) ternary systems was studied. The evolution of the nitrogen content in W-Si-N systems allowed to study their stability with respect to the annealing conditions. (N.T.)

  18. Genetic Synthesis of New Reversible/Quantum Ternary Comparator

    Directory of Open Access Journals (Sweden)

    DEIBUK, V.

    2015-08-01

    Full Text Available Methods of quantum/reversible logic synthesis are based on the use of the binary nature of quantum computing. However, multiple-valued logic is a promising choice for future quantum computer technology due to a number of advantages over binary circuits. In this paper we have developed a synthesis of ternary reversible circuits based on Muthukrishnan-Stroud gates using a genetic algorithm. The method of coding chromosome is presented, and well-grounded choice of algorithm parameters allowed obtaining better circuit schemes of one- and n-qutrit ternary comparators compared with other methods. These parameters are quantum cost of received reversible devices, delay time and number of constant input (ancilla lines. Proposed implementation of the genetic algorithm has led to reducing of the device delay time and the number of ancilla qutrits to 1 and 2n-1 for one- and n-qutrits full comparators, respectively. For designing of n-qutrit comparator we have introduced a complementary device which compares output functions of 1-qutrit comparators.

  19. Experimental investigation of the ternary system Ni–Pd–Sn with special focus on the B8-type phase

    International Nuclear Information System (INIS)

    Jandl, Isabella; Ipser, Herbert; Richter, Klaus W.

    2015-01-01

    The ternary alloy system Ni–Pd–Sn was investigated experimentally from 700 °C upwards, with special focus on the general NiAs-type compounds. The phase diagram and crystallographic parameters were studied by means of powder X-ray diffraction (XRD), differential thermal analysis (DTA), light optical microscopy (LOM) and scanning electron microscopy (SEM) in combination with energy dispersive X-ray spectroscopy (EDX). An isothermal section at 700 °C was constructed wherein a continuous phase field between the binary NiAs-type compounds γ (PdSn) and Ni 3 Sn 2 (high temperature modification) was detected. A series of samples throughout this phase field was used to investigate lattice parameter variations, occupation of the atomic sites and the melting behaviour. A partial ordering of the transition metals was observed. Moreover, three vertical sections at 30 at.%, 40 at.% and 50 at.% Sn were determined. Altogether, seven ternary invariant phase reactions were discovered: two ternary eutectic reactions, one ternary eutectoid reaction, three ternary transition reactions and one maximum. A complete reaction scheme for the investigated temperature range is given. Furthermore, a partial liquidus surface projection, except for the low-temperature Sn-rich region, was developed. - Highlights: • Detailed study of the ternary alloy system Ni–Pd–Sn. • 1 Isotherm, 3 vertical sections, a partial liquidus projection and a reaction scheme. • A continuous phase field, between γ and Ni 3 Sn 2 , was discovered. • Lattice parameters and structural features in this phase field were analysed. • A partial order of Ni and Pd in this phase field was observed

  20. The ternary sorption system U(VI)-phosphate-silica explained by spectroscopy and thermodynamic modelling

    Energy Technology Data Exchange (ETDEWEB)

    Foerstendorf, Harald; Stockmann, Madlen; Heim, Karsten; Mueller, Katharina; Brendler, Vinzenz [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Surface Processes; Comarmond, M.J.; Payne, T.E. [Australian Nuclear Science and Technology Organisation, Lucas Heights (Australia); Steudtner, Robin [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Inst. of Resource Ecology

    2017-06-01

    Spectroscopic data of sorption processes potentially provide direct impact on Surface Complexation Modelling (SCM) approaches. Based on spectroscopic data of the ternary sorption system U(VI)/phosphate/silica strongly suggesting the formation of a precipitate as the predominant surface process, SCM calculations accurately reproduced results from classical batch experiments.

  1. The ternary sorption system U(VI)-phosphate-silica explained by spectroscopy and thermodynamic modelling

    International Nuclear Information System (INIS)

    Foerstendorf, Harald; Stockmann, Madlen; Heim, Karsten; Mueller, Katharina; Brendler, Vinzenz; Steudtner, Robin

    2017-01-01

    Spectroscopic data of sorption processes potentially provide direct impact on Surface Complexation Modelling (SCM) approaches. Based on spectroscopic data of the ternary sorption system U(VI)/phosphate/silica strongly suggesting the formation of a precipitate as the predominant surface process, SCM calculations accurately reproduced results from classical batch experiments.

  2. O-methylation of natural phenolic compounds based on green chemistry using dimethyl carbonate

    Science.gov (United States)

    Prakoso, N. I.; Pangestu, P. H.; Wahyuningsih, T. D.

    2016-02-01

    The alkyl aryl ether compounds, of which methyl eugenol and veratraldehyde are the simplest intermediates can be synthesized by reacting eugenol and vanillin with the green reagent dimethyl carbonate (DMC). The reaction was carried out under mild of temperature and pressure. Excellent yields and selective products were obtained (95-96%) after a few hours. In the end of the reaction, the catalysts (base and Phase Transfer Catalyst) can be recovered and regenerated.

  3. Standard Test Method for Preparing Aircraft Cleaning Compounds, Liquid Type, Water Base, for Storage Stability Testing

    CERN Document Server

    American Society for Testing and Materials. Philadelphia

    2002-01-01

    1.1 This test method covers the determination of the stability in storage, of liquid, water-base chemical cleaning compounds, used to clean the exterior surfaces of aircraft. 1.2 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.

  4. NPACT: Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database.

    Science.gov (United States)

    Mangal, Manu; Sagar, Parul; Singh, Harinder; Raghava, Gajendra P S; Agarwal, Subhash M

    2013-01-01

    Plant-derived molecules have been highly valued by biomedical researchers and pharmaceutical companies for developing drugs, as they are thought to be optimized during evolution. Therefore, we have collected and compiled a central resource Naturally Occurring Plant-based Anti-cancer Compound-Activity-Target database (NPACT, http://crdd.osdd.net/raghava/npact/) that gathers the information related to experimentally validated plant-derived natural compounds exhibiting anti-cancerous activity (in vitro and in vivo), to complement the other databases. It currently contains 1574 compound entries, and each record provides information on their structure, manually curated published data on in vitro and in vivo experiments along with reference for users referral, inhibitory values (IC(50)/ED(50)/EC(50)/GI(50)), properties (physical, elemental and topological), cancer types, cell lines, protein targets, commercial suppliers and drug likeness of compounds. NPACT can easily be browsed or queried using various options, and an online similarity tool has also been made available. Further, to facilitate retrieval of existing data, each record is hyperlinked to similar databases like SuperNatural, Herbal Ingredients' Targets, Comparative Toxicogenomics Database, PubChem and NCI-60 GI(50) data.

  5. An alkali ion source based on graphite intercalation compounds for ion mobility spectrometry

    International Nuclear Information System (INIS)

    Tabrizchi, Mahmoud; Hosseini, Zahra S

    2008-01-01

    A variety of alkali cation emitters were developed as the ion source for ion mobility spectrometry. The cation emitters were constructed based on alkali ion graphite intercalation compounds (GICs). The compounds were prepared by fusing alkali salts with ground graphite. In order to produce alkali ions, the compounds were loaded on a filament and heated to red. Reactant ions of the form alk + ions were observed for the alkali salts NaCl, KCl.LiCl, CsCl and SrCl. In addition to Na + ions, K + ions were observed at the beginning of thermionic emission from Na-GIC. This is due to the low ionization potential of potassium that exists in trace amounts in sodium salts. In addition to the potassium ion, Na + was observed in the case of LiCl salt. The Na + and K + peaks originating from impurities totally disappeared after about 40 min. However, the thermionic emission of the main ion of the corresponding salt lasted for several days. No negative ions were observed upon reversing the drift field. Selected organic compounds (methyl isobutyl ketone, dimethyl sulfoxide, acetone and tetrahydrofuran) were also ionized via alkali cation attachment reaction. Distinct ion mobility patterns were observed for different substances using one type of alkali reactant ion. However, the ion mobility pattern for a given substance changed when a different alkali reactant ion was used. Ammonia and amines were not ionized when this source was used

  6. Solid-state phase equilibria in the Fe-Pt-Pr ternary system at 1173 K

    International Nuclear Information System (INIS)

    Ren Jing; Gu Zhengfei; Cheng Gang; Zhou Huaiying

    2005-01-01

    The solid-state phase equilibria in the Fe-Pt-Pr ternary system at 1173 K (Pr ≤ 70%) were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersion spectroscopy (EDS) techniques. The 1173 K isothermal section consists of 13 single-phase regions, 22 two-phase regions and 10 three-phase regions. At 1173 K, we have observed that the maximum solid solubility of Pt in α-Fe is below 1.5 at.% and the solid solution region of Pt in γ-Fe is from 2 to 35 at.%; the maximum solid solubility of Fe in Pt is 18 at.%. The maximum solubility of Fe in PrPt 5 , PrPt 3 , PrPt 2 , Pr 3 Pt 4 , PrPt, Pr 3 Pt 2 and Pr 7 Pt 3 is below 1 at.%. The maximum solubility of Pr in α-(Fe, Pt), γ-(Fe, Pt), FePt, FePt 3 and (Pt, Fe) (the solid solution of Fe in Pt) is 6, 2, 4, 4.5 and 1.5 at.%, respectively. In this work, it is found that the phase Pr 3 Pt 4 does not exist in the ternary system. The binary compounds Fe 7 Pr and Fe 2 Pr and any new ternary compounds were not observed

  7. The isothermal section at 500 deg. C of the Gd-Tb-Ga ternary system

    International Nuclear Information System (INIS)

    Li, J.Q.; Jian, Y.X.; Ao, W.Q.; Zhuang, Y.H.; He, W.

    2006-01-01

    Phase equilibria in the Gd-Tb-Ga ternary system at 500 deg. C were investigated by X-ray powder diffraction and differential scanning calorimetry. The binary compounds, Gd 5 Ga 3 , Gd 3 Ga 2 , GdGa, GdGa 2 , Tb 5 Ga 3 , TbGa, TbGa 2 and TbGa 3 have been confirmed at 500 deg. C. No ternary compound was found in this system. The isothermal section of this system at 500 deg. C was constructed. It is composed of 7 single-phase regions, 8 two-phase regions and 2 three-phase regions. Four ternary continuous solid solutions (Gd, Tb), (Gd, Tb) 5 Ga 3 , (Gd, Tb)Ga, (Gd, Tb)Ga 2 were formed in this isothermal section. The maximum solid solubilities of Ga in (Gd, Tb) at 500 deg. C is 5.0 at.%. The homogeneity range of (Gd, Tb)Ga 2 is from 20 to 33.3 at.% Ga in Gd-Ga side but limited in Tb-Ga side. The solid solubilities of Ga in the other phases cannot be detected. The Curie temperatures of the Gd 0.6 Tb 0.4-x Ga x alloys increase from 270 to 298 K as x increases from 0 to 0.03

  8. Carbon Nanomaterials Based Electrochemical Sensors/Biosensors for the Sensitive Detection of Pharmaceutical and Biological Compounds.

    Science.gov (United States)

    Adhikari, Bal-Ram; Govindhan, Maduraiveeran; Chen, Aicheng

    2015-09-04

    Electrochemical sensors and biosensors have attracted considerable attention for the sensitive detection of a variety of biological and pharmaceutical compounds. Since the discovery of carbon-based nanomaterials, including carbon nanotubes, C60 and graphene, they have garnered tremendous interest for their potential in the design of high-performance electrochemical sensor platforms due to their exceptional thermal, mechanical, electronic, and catalytic properties. Carbon nanomaterial-based electrochemical sensors have been employed for the detection of various analytes with rapid electron transfer kinetics. This feature article focuses on the recent design and use of carbon nanomaterials, primarily single-walled carbon nanotubes (SWCNTs), reduced graphene oxide (rGO), SWCNTs-rGO, Au nanoparticle-rGO nanocomposites, and buckypaper as sensing materials for the electrochemical detection of some representative biological and pharmaceutical compounds such as methylglyoxal, acetaminophen, valacyclovir, β-nicotinamide adenine dinucleotide hydrate (NADH), and glucose. Furthermore, the electrochemical performance of SWCNTs, rGO, and SWCNT-rGO for the detection of acetaminophen and valacyclovir was comparatively studied, revealing that SWCNT-rGO nanocomposites possess excellent electrocatalytic activity in comparison to individual SWCNT and rGO platforms. The sensitive, reliable and rapid analysis of critical disease biomarkers and globally emerging pharmaceutical compounds at carbon nanomaterials based electrochemical sensor platforms may enable an extensive range of applications in preemptive medical diagnostics.

  9. Carbon Nanomaterials Based Electrochemical Sensors/Biosensors for the Sensitive Detection of Pharmaceutical and Biological Compounds

    Directory of Open Access Journals (Sweden)

    Bal-Ram Adhikari

    2015-09-01

    Full Text Available Electrochemical sensors and biosensors have attracted considerable attention for the sensitive detection of a variety of biological and pharmaceutical compounds. Since the discovery of carbon-based nanomaterials, including carbon nanotubes, C60 and graphene, they have garnered tremendous interest for their potential in the design of high-performance electrochemical sensor platforms due to their exceptional thermal, mechanical, electronic, and catalytic properties. Carbon nanomaterial-based electrochemical sensors have been employed for the detection of various analytes with rapid electron transfer kinetics. This feature article focuses on the recent design and use of carbon nanomaterials, primarily single-walled carbon nanotubes (SWCNTs, reduced graphene oxide (rGO, SWCNTs-rGO, Au nanoparticle-rGO nanocomposites, and buckypaper as sensing materials for the electrochemical detection of some representative biological and pharmaceutical compounds such as methylglyoxal, acetaminophen, valacyclovir, β-nicotinamide adenine dinucleotide hydrate (NADH, and glucose. Furthermore, the electrochemical performance of SWCNTs, rGO, and SWCNT-rGO for the detection of acetaminophen and valacyclovir was comparatively studied, revealing that SWCNT-rGO nanocomposites possess excellent electrocatalytic activity in comparison to individual SWCNT and rGO platforms. The sensitive, reliable and rapid analysis of critical disease biomarkers and globally emerging pharmaceutical compounds at carbon nanomaterials based electrochemical sensor platforms may enable an extensive range of applications in preemptive medical diagnostics.

  10. Superconducting state parameters of ternary metallic glasses

    Indian Academy of Sciences (India)

    Administrator

    When used with a suitable form of dialectic screening functions, this potential has also been found to yield good results in computing the SSP of (Ni33Zr67)1–x ..... superconducting nature. Hence, (Ni33Zr67)1–xMx. (M = Ti, V, Co, Cu) ternary metallic glasses exhibit super- conducting nature in the present case. When we.

  11. Equilibrium study for ternary mixtures of biodiesel

    Science.gov (United States)

    Doungsri, S.; Sookkumnerd, T.; Wongkoblap, A.; Nuchitprasittichai, A.

    2017-11-01

    The liquid-liquid equilibrium (LLE) data for the ternary mixtures of methanol + fatty acid methyl ester (FAME) + palm oil and FAME + palm oil + glycerol at various temperatures from 35 to 55°C, the tie lines and binodial curves were also investigated and plotted in the equilibrium curve. The experimental results showed that the binodial curves of methanol + FAME + palm oil depended significantly with temperature while the binodial curves of FAME + palm oil + glycerol illustrated insignificant change with temperatures. The interaction parameters between liquid pair obtained for NRTL (Nonrandom Two-Liquid) and UNIQUAC (Universal Quasi-Chemical Theory) models from the experimental data were also investigated. It was found that the correlated parameters of UNIQUAC model for system of FAME + palm oil + glycerol, denoted as a13 and a31, were 580.42K and -123.69K, respectively, while those for system of methanol + FAME + palm oil, denoted as a42 and a24, were 71.48 K and 965.57K, respectively. The ternary LLE data reported here would be beneficial for engineers and scientists to use for prediction of yield and purity of biodiesel for the production. The UNIQUAC model agreed well with the experimental data of ternary mixtures of biodiesel.

  12. The novel eutectic microstructures of Si-Mn-P ternary alloy

    International Nuclear Information System (INIS)

    Wu Yaping; Liu Xiangfa

    2010-01-01

    The microstructures of Si-Mn-P alloy manufactured by the technique of combining phosphorus transportation and alloy melting were investigated using electron probe micro-analyzer (EPMA). The phase compositions were determined by energy spectrum and the varieties of eutectic morphologies were discussed. It is found that there is no ternary compound but Si, MnP and MnSi 1.75-x could appear when the Si-Mn-P alloy's composition is proper. Microstructure is greatly refined by rapid solidification technique and the amount of eutectic phases change with faster cooling rates. Moreover, primary Si or MnP are surrounded firstly by the binary eutectic (Si + MnP) and then the ternary eutectic (Si + MnSi 1.75-x + MnP) which also exhibit binary structures due to divorced eutectic determined by the particularity of some Si-Mn-P alloys.

  13. A ternary logic model for recurrent neuromime networks with delay.

    Science.gov (United States)

    Hangartner, R D; Cull, P

    1995-07-01

    In contrast to popular recurrent artificial neural network (RANN) models, biological neural networks have unsymmetric structures and incorporate significant delays as a result of axonal propagation. Consequently, biologically inspired neural network models are more accurately described by nonlinear differential-delay equations rather than nonlinear ordinary differential equations (ODEs), and the standard techniques for studying the dynamics of RANNs are wholly inadequate for these models. This paper develops a ternary-logic based method for analyzing these networks. Key to the technique is the realization that a nonzero delay produces a bounded stability region. This result significantly simplifies the construction of sufficient conditions for characterizing the network equilibria. If the network gain is large enough, each equilibrium can be classified as either asymptotically stable or unstable. To illustrate the analysis technique, the swim central pattern generator (CPG) of the sea slug Tritonia diomedea is examined. For wide range of reasonable parameter values, the ternary analysis shows that none of the network equilibria are stable, and thus the network must oscillate. The results show that complex synaptic dynamics are not necessary for pattern generation.

  14. Enhanced Light Absorption in Fluorinated Ternary Small-Molecule Photovoltaics

    Energy Technology Data Exchange (ETDEWEB)

    Eastham, Nicholas D. [Department; Dudnik, Alexander S. [Department; Harutyunyan, Boris [Department; Aldrich, Thomas J. [Department; Leonardi, Matthew J. [Department; Manley, Eric F. [Department; Chemical; Butler, Melanie R. [Department; Harschneck, Tobias [Department; Ratner, Mark A. [Department; Chen, Lin X. [Department; Chemical; Bedzyk, Michael J. [Department; Department; Melkonyan, Ferdinand S. [Department; Facchetti, Antonio [Department; Chang, Robert P. H. [Department; Marks, Tobin J. [Department; Department

    2017-06-14

    Using small-molecule donor (SMD) semiconductors in organic photovoltaics (OPVs) has historically afforded lower power conversion efficiencies (PCEs) than their polymeric counterparts. The PCE difference is attributed to shorter conjugated backbones, resulting in reduced intermolecular interactions. Here, a new pair of SMDs is synthesized based on the diketopyrrolopyrrole-benzodithiophene-diketopyrrolopyrrole (BDT-DPP2) skeleton but having fluorinated and fluorinefree aromatic side-chain substituents. Ternary OPVs having varied ratios of the two SMDs with PC61BM as the acceptor exhibit tunable open-circuit voltages (Vocs) between 0.833 and 0.944 V due to a fluorination-induced shift in energy levels and the electronic “alloy” formed from the miscibility of the two SMDs. A 15% increase in PCE is observed at the optimal ternary SMD ratio, with the short-circuit current density (Jsc) significantly increased to 9.18 mA/cm2. The origin of Jsc enhancement is analyzed via charge generation, transport, and diffuse reflectance measurements, and is attributed to increased optical absorption arising from a maximum in film crystallinity at this SMD ratio, observed by grazing incidence wide-angle X-ray scattering.

  15. Air concentrations of volatile compounds near oil and gas production: a community-based exploratory study.

    Science.gov (United States)

    Macey, Gregg P; Breech, Ruth; Chernaik, Mark; Cox, Caroline; Larson, Denny; Thomas, Deb; Carpenter, David O

    2014-10-30

    Horizontal drilling, hydraulic fracturing, and other drilling and well stimulation technologies are now used widely in the United States and increasingly in other countries. They enable increases in oil and gas production, but there has been inadequate attention to human health impacts. Air quality near oil and gas operations is an underexplored human health concern for five reasons: (1) prior focus on threats to water quality; (2) an evolving understanding of contributions of certain oil and gas production processes to air quality; (3) limited state air quality monitoring networks; (4) significant variability in air emissions and concentrations; and (5) air quality research that misses impacts important to residents. Preliminary research suggests that volatile compounds, including hazardous air pollutants, are of potential concern. This study differs from prior research in its use of a community-based process to identify sampling locations. Through this approach, we determine concentrations of volatile compounds in air near operations that reflect community concerns and point to the need for more fine-grained and frequent monitoring at points along the production life cycle. Grab and passive air samples were collected by trained volunteers at locations identified through systematic observation of industrial operations and air impacts over the course of resident daily routines. A total of 75 volatile organics were measured using EPA Method TO-15 or TO-3 by gas chromatography/mass spectrometry. Formaldehyde levels were determined using UMEx 100 Passive Samplers. Levels of eight volatile chemicals exceeded federal guidelines under several operational circumstances. Benzene, formaldehyde, and hydrogen sulfide were the most common compounds to exceed acute and other health-based risk levels. Air concentrations of potentially dangerous compounds and chemical mixtures are frequently present near oil and gas production sites. Community-based research can provide an

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

    Science.gov (United States)

    Öztürk, Hakime; Ozkirimli, Elif; Özgür, Arzucan

    2016-03-18

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

  17. Standardization of Tragopogon graminifolius DC. Extract Based on Phenolic Compounds and Antioxidant Activity

    Directory of Open Access Journals (Sweden)

    Mohammad Hosein Farzaei

    2014-01-01

    Full Text Available Tragopogon graminifolius DC. (TG, Compositae family, is traditionally used for the treatment of various diseases like gastrointestinal and hepatic disorders. The aim of the present study is to standardize extracts from TG used for preparation of different dosage forms in traditional Iranian medicine (TIM based on phenolic compounds. For this purpose, total phenolic content and some phenolic compounds were determined in ethanolic extracts from aerial part and root of TG by HPLC method. Furthermore, antioxidant activity was evaluated using DPPH-HPLC methods. Caffeic acid, gallic acid, ρ-coumaric acid, ferulic acid, and catechin were detected in root and aerial part of TG. ρ-Coumaric acid (6.357 ± 0.014 mg·g−1 was dominant phenolic compound in aerial part followed by ferulic acid (1.24 ± 0.018 mg·g−1. Also, ρ-coumaric acid (2.685 ± 0.031 mg·g−1 was highly abundant in root, followed by catechin (2.067 ± 0.021 mg·g−1. Antioxidant activity of root extract (460.45 ± 0.78 µg Vit.E.E·mL−1 was better than that of aerial part. Generally, phenolic compounds are one of the major constituents of TG and could be used as markers for standardization of dosage forms prepared from this plant. Also, TG demonstrated significant antioxidant activity using DPPH-HPLC method. Phenolic compounds of TG may be responsible for its marked antioxidant properties.

  18. Nanomolar anti-sickling compounds identified by ligand-based pharmacophore approach.

    Science.gov (United States)

    Paz, Odailson Santos; de Jesus Pinheiro, Milena; do Espirito Santo, Renan Fernandes; Villarreal, Cristiane Flora; Castilho, Marcelo Santos

    2017-08-18

    Adenosine receptors are considered as potential targets for drug development against several diseases. The discovery of subtype 2B adenosine receptors role in erythrocyte sickling process proved its importance to neglected diseases such as sickle cell anemia, which affects approximately 29.000 people around the world, but whose treatment is restricted to just one FDA approved drug (hydroxyurea). In order to widen the therapeutic arsenal available to treat sickle cell anemia patients, it is imperative to identify new lead compounds that modify the sickling course and not just its symptoms. In order to accomplish this goal, ligand-based pharmacophore models that differentiate true ligands from decoys and enlighten the structure-activity relationship of known RA2B antagonists were employed screen the lead-like subset of the ZINC database. Following a chemical diversity analysis, 18 compounds were selected for biological evaluation. Among them, one molecule Z1139491704 (pEC50 = 7.77 ± 0.17) has shown better anti-sickling activity than MRS1754 (pEC50 = 7.63 ± 0.12), a commercial RA2B antagonist. Moreover, these compounds exhibited no cytotoxic effect at low micromolar range on mammalian cells. In conclusion, the sound development of validated ligand-based pharmacophore models proved essential to identify novel chemical scaffolds that might be useful to develop anti-sickling drugs. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  19. Synthesis and investigation of CrB{sub 4}, MnB{sub 4} and new ternary chromium and rhenium manganese borides; Synthese und Untersuchung von CrB{sub 4}, MnB{sub 4} sowie neuen ternaeren Chrom- und Rheniummanganboriden

    Energy Technology Data Exchange (ETDEWEB)

    Knappschneider, Arno

    2014-10-13

    In the present work single crystals of the tetraborides of chromium and manganese have been grown and allowed a structure refinement of the compounds. Furthermore the physical characteristics for example hardness, electronic properties and magnetism were been determined. Also the ternary tetraboride phase of chromium and manganese was synthesized and a new ternary rhenium manganese diboride could be obtained.

  20. Gold-Catalyzed Cyclizations of Alkynol-Based Compounds: Synthesis of Natural Products and Derivatives

    Directory of Open Access Journals (Sweden)

    Pedro Almendros

    2011-09-01

    Full Text Available The last decade has witnessed dramatic growth in the number of reactions catalyzed by gold complexes because of their powerful soft Lewis acid nature. In particular, the gold-catalyzed activation of propargylic compounds has progressively emerged in recent years. Some of these gold-catalyzed reactions in alkynes have been optimized and show significant utility in organic synthesis. Thus, apart from significant methodology work, in the meantime gold-catalyzed cyclizations in alkynol derivatives have become an efficient tool in total synthesis. However, there is a lack of specific review articles covering the joined importance of both gold salts and alkynol-based compounds for the synthesis of natural products and derivatives. The aim of this Review is to survey the chemistry of alkynol derivatives under gold-catalyzed cyclization conditions and its utility in total synthesis, concentrating on the advances that have been made in the last decade, and in particular in the last quinquennium.

  1. USING H.264/AVC-INTRA FOR DCT BASED SEGMENTATION DRIVEN COMPOUND IMAGE COMPRESSION

    Directory of Open Access Journals (Sweden)

    S. Ebenezer Juliet

    2011-08-01

    Full Text Available This paper presents a one pass block classification algorithm for efficient coding of compound images which consists of multimedia elements like text, graphics and natural images. The objective is to minimize the loss of visual quality of text during compression by separating text information which needs high special resolution than the pictures and background. It segments computer screen images into text/graphics and picture/background classes based on DCT energy in each 4x4 block, and then compresses both text/graphics pixels and picture/background blocks by H.264/AVC with variable quantization parameter. Experimental results show that the single H.264/AVC-INTRA coder with variable quantization outperforms single coders such as JPEG, JPEG-2000 for compound images. Also the proposed method improves the PSNR value significantly than standard JPEG, JPEG-2000 and while keeping competitive compression ratios.

  2. Leaching characteristics of calcium-based compounds in MSWI Residues: From the viewpoint of clogging risk

    International Nuclear Information System (INIS)

    Xia, Yi; Zhang, Hua; Phoungthong, Khamphe; Shi, Dong-Xiao; Shen, Wen-Hui; Shao, Li-Ming; He, Pin-Jing

    2015-01-01

    Highlights: • The leaching behavior of Ca-based compounds commonly in MSWI residues was studied. • pH is the crucial factor for calcium leaching process. • CaCO 3 was the most sensitive to leaching temperature and Ca 3 (PO 4 ) 2 was the least. • Ca leaching of MSWIBA and SAPCR attributed to CaCO 3 and Ca 3 (PO 4 ) 2 respectively. • Potential clogging ability of MSWI residues leachate in open air was calculated. - Abstract: Leachate collection system (LCS) clogging caused by calcium precipitation would be disadvantageous to landfill stability and operation. Meanwhile, calcium-based compounds are the main constituents in both municipal solid waste incineration bottom ash (MSWIBA) and stabilized air pollution control residues (SAPCR), which would increase the risk of LCS clogging once these calcium-rich residues were disposed in landfills. The leaching behaviors of calcium from the four compounds and municipal solid waste incineration (MSWI) residues were studied, and the influencing factors on leaching were discussed. The results showed that pH was the crucial factor in the calcium leaching process. CaCO 3 and CaSiO 3 began leaching when the leachate pH decreased to less than 7 and 10, respectively, while Ca 3 (PO 4 ) 2 leached at pH < 12. CaSO 4 could hardly dissolve in the experimental conditions. Moreover, the sequence of the leaching rate for the different calcium-based compounds is as follows: CaSiO 3 > Ca 3 (PO 4 ) 2 > CaCO 3 . The calcium leaching from the MSWIBA and SAPCR separately started from pH < 7 and pH < 12, resulting from CaCO 3 and Ca 3 (PO 4 ) 2 leaching respectively, which was proven by the X-ray diffraction results. Based on the leaching characteristics of the different calcium compounds and the mineral phase of calcium in the incineration residues, simulated computation of their clogging potential was conducted, providing the theoretical basis for the risk assessment pertaining to LCS clogging in landfills

  3. Leaching characteristics of calcium-based compounds in MSWI Residues: From the viewpoint of clogging risk

    Energy Technology Data Exchange (ETDEWEB)

    Xia, Yi [State Key Laboratory of Pollution Control & Resource Reuse, Tongji University, Shanghai 200092 (China); Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Zhang, Hua, E-mail: zhanghua_tj@tongji.edu.cn [State Key Laboratory of Pollution Control & Resource Reuse, Tongji University, Shanghai 200092 (China); Phoungthong, Khamphe [State Key Laboratory of Pollution Control & Resource Reuse, Tongji University, Shanghai 200092 (China); Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Shi, Dong-Xiao; Shen, Wen-Hui [Changzhou Domestic Waste Treatment Center, Changzhou 213000 (China); Shao, Li-Ming [Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Center for the Technology Research and Training on Household Waste in Small Towns & Rural Area, Ministry of Housing and Urban–Rural Development of PR China (MOHURD), Shanghai 200092 (China); He, Pin-Jing, E-mail: solidwaste@tongji.edu.cn [Institute of Waste Treatment and Reclamation, Tongji University, Shanghai 200092 (China); Center for the Technology Research and Training on Household Waste in Small Towns & Rural Area, Ministry of Housing and Urban–Rural Development of PR China (MOHURD), Shanghai 200092 (China)

    2015-08-15

    Highlights: • The leaching behavior of Ca-based compounds commonly in MSWI residues was studied. • pH is the crucial factor for calcium leaching process. • CaCO{sub 3} was the most sensitive to leaching temperature and Ca{sub 3}(PO{sub 4}){sub 2} was the least. • Ca leaching of MSWIBA and SAPCR attributed to CaCO{sub 3} and Ca{sub 3}(PO{sub 4}){sub 2} respectively. • Potential clogging ability of MSWI residues leachate in open air was calculated. - Abstract: Leachate collection system (LCS) clogging caused by calcium precipitation would be disadvantageous to landfill stability and operation. Meanwhile, calcium-based compounds are the main constituents in both municipal solid waste incineration bottom ash (MSWIBA) and stabilized air pollution control residues (SAPCR), which would increase the risk of LCS clogging once these calcium-rich residues were disposed in landfills. The leaching behaviors of calcium from the four compounds and municipal solid waste incineration (MSWI) residues were studied, and the influencing factors on leaching were discussed. The results showed that pH was the crucial factor in the calcium leaching process. CaCO{sub 3} and CaSiO{sub 3} began leaching when the leachate pH decreased to less than 7 and 10, respectively, while Ca{sub 3}(PO{sub 4}){sub 2} leached at pH < 12. CaSO{sub 4} could hardly dissolve in the experimental conditions. Moreover, the sequence of the leaching rate for the different calcium-based compounds is as follows: CaSiO{sub 3} > Ca{sub 3}(PO{sub 4}){sub 2} > CaCO{sub 3}. The calcium leaching from the MSWIBA and SAPCR separately started from pH < 7 and pH < 12, resulting from CaCO{sub 3} and Ca{sub 3}(PO{sub 4}){sub 2} leaching respectively, which was proven by the X-ray diffraction results. Based on the leaching characteristics of the different calcium compounds and the mineral phase of calcium in the incineration residues, simulated computation of their clogging potential was conducted, providing the

  4. Relative toxicity for indoor semi volatile organic compounds based on neuronal death.

    Science.gov (United States)

    Fournier, Kevin; Baumont, Emmanuel; Glorennec, Philippe; Bonvallot, Nathalie

    2017-09-05

    Semi Volatile Organic Compounds (SVOCs) are contaminants commonly found in dwellings as a result of their use as plasticizers, flame retardants, or pesticides in building materials and consumer products. Many SVOCs are suspected of being neurotoxic, based on mammal experimentation (impairment of locomotor activity, spatial learning/memory or behavioral changes), raising the question of cumulative risk assessment. The aim of this work is to estimate the relative toxicity of such SVOCs, based on neuronal death. SVOCs fulfilling the following conditions were included: detection frequency >10% in dwellings, availability of data on effects or mechanism of action for neurotoxicity, and availability of dose-response relationships based on cell viability assays as a proxy of neuronal death. Benchmark concentration values (BMC) were estimated using a Hill model, and compared to assess relative toxicity. Of the 58 SVOCs selected, 28 were suspected of being neurotoxic in mammals, and 21 have been documented as inducing a decrease in cell viability in vitro. 13 have at least one dose-response relationship that can be used to derive a BMC based on a 10% fall in neuronal viability. Based on this in vitro endpoint, PCB-153 appeared to be the most toxic compound, having the lowest BMC 10 (0.072μM) and diazinon the least toxic compound, having the highest BMC 10 (94.35μM). We showed that experimental designs (in particular choice of cell lines) had a significant influence on BMC calculation. For the first time, the relative in vitro toxicity of 13 indoor contaminants belonging to different chemical families has been assessed on the basis of neuronal cell viability. Lack of comparable toxicity datasets limits the number of SVOCs that can be included. More standardized protocols in terms of cell lines, species and exposure duration should be developed with a view to cumulative risk assessment. Copyright © 2017 Elsevier B.V. All rights reserved.

  5. Ternary q-Virasoro-Witt Hom-Nambu-Lie algebras

    International Nuclear Information System (INIS)

    Ammar, F; Makhlouf, A; Silvestrov, S

    2010-01-01

    In this paper we construct ternary q-Virasoro-Witt algebras which q-deform the ternary Virasoro-Witt algebras constructed by Curtright, Fairlie and Zachos using su(1, 1) enveloping algebra techniques. The ternary Virasoro-Witt algebras constructed by Curtright, Fairlie and Zachos depend on a parameter and are not Nambu-Lie algebras for all but finitely many values of this parameter. For the parameter values for which the ternary Virasoro-Witt algebras are Nambu-Lie, the corresponding ternary q-Virasoro-Witt algebras constructed in this paper are also Hom-Nambu-Lie because they are obtained from the ternary Nambu-Lie algebras using the composition method. For other parameter values this composition method does not yield a Hom-Nambu-Lie algebra structure for q-Virasoro-Witt algebras. We show however, using a different construction, that the ternary Virasoro-Witt algebras of Curtright, Fairlie and Zachos, as well as the general ternary q-Virasoro-Witt algebras we construct, carry a structure of the ternary Hom-Nambu-Lie algebra for all values of the involved parameters.

  6. Description of light charged particle emission in ternary fission

    International Nuclear Information System (INIS)

    Andreev, A. V.; Adamian, G. G.; Antonenko, N. V.; Kuklin, S. N.; Scheid, W.

    2010-01-01

    We consider the motion of three fragments starting from the scission point of ternary system. In the alpha-accompanied ternary fission the initial conditions are not the free parameters and determined by minimization of potential energy at scission point. In the trajectory calculations the angular distribution and mean value of the kinetic energy of the alpha-particles are well described in the spontaneous ternary fission of 252 Cf. In the Be- and C-accompanied ternary fission we found that the emission of the third particle occurs from one of the heavy fragments after their separation. (authors)

  7. Ternary q-Virasoro-Witt Hom-Nambu-Lie algebras

    Energy Technology Data Exchange (ETDEWEB)

    Ammar, F [Faculte des Sciences, Universite de Sfax, BP 1171, 3000 Sfax (Tunisia); Makhlouf, A [Laboratoire de Mathematiques, Informatique et Applications, Universite de Haute Alsace, 4, rue des Freres Lumiere F-68093 Mulhouse (France); Silvestrov, S, E-mail: Faouzi.Ammar@rnn.fss.t, E-mail: Abdenacer.Makhlouf@uha.f, E-mail: sergei.silvestrov@math.lth.s [Centre for Mathematical Sciences, Lund University, Box 118, SE-221 00 Lund (Sweden)

    2010-07-02

    In this paper we construct ternary q-Virasoro-Witt algebras which q-deform the ternary Virasoro-Witt algebras constructed by Curtright, Fairlie and Zachos using su(1, 1) enveloping algebra techniques. The ternary Virasoro-Witt algebras constructed by Curtright, Fairlie and Zachos depend on a parameter and are not Nambu-Lie algebras for all but finitely many values of this parameter. For the parameter values for which the ternary Virasoro-Witt algebras are Nambu-Lie, the corresponding ternary q-Virasoro-Witt algebras constructed in this paper are also Hom-Nambu-Lie because they are obtained from the ternary Nambu-Lie algebras using the composition method. For other parameter values this composition method does not yield a Hom-Nambu-Lie algebra structure for q-Virasoro-Witt algebras. We show however, using a different construction, that the ternary Virasoro-Witt algebras of Curtright, Fairlie and Zachos, as well as the general ternary q-Virasoro-Witt algebras we construct, carry a structure of the ternary Hom-Nambu-Lie algebra for all values of the involved parameters.

  8. Volume dependence of T/sub c/ of Ternary A-15 Phases

    International Nuclear Information System (INIS)

    Shamrai, V.

    1984-01-01

    Results are presented of measurements of the superconducting transition temperature T/sub c/, lattice constant a, magnetic susceptibility /sub chi/, and critical field H/sub c/ 2 for many Nb 3 Al and V 3 Si-based ternary phases and Nb 3 SnH/sub x/. For V 3 Si-based ternary systems and Nb 3 SnH/sub x/ the density of states at the Fermi level N(epsilon/sub F/) sharply decreases with the concentration of the alloying element. The variation of N(epsilon/sub F/) in these ternary systems cannot be explained by the variation of a. In ternary phases Nb 3 (Al/sub 1-x/dY/sub x/), where Y can be Ge, Ga, Sb, or Se, a quite clear correlation is revealed between T/sub c/ and a. The dependence of T/sub c/ on V in these systems is due to the variation of the matrix element of the electron-phonon interaction 2 >

  9. Synthesis and characterization of (Ni{sub 1−x}Co{sub x})Se{sub 2} based ternary selenides as electrocatalyst for triiodide reduction in dye-sensitized solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Theerthagiri, J.; Senthil, R.A. [Solar Energy Lab, Department of Chemistry, Thiruvalluvar University, Vellore 632115 (India); Buraidah, M.H. [Centre for Ionics University of Malaya, Department of Physics, University of Malaya, Kuala Lumpur 50603 (Malaysia); Raghavender, M. [Department of Physics, Yogi Vemana University, Kadapa 516003, Andhra Pradesh (India); Madhavan, J., E-mail: jagan.madhavan@gmail.com [Solar Energy Lab, Department of Chemistry, Thiruvalluvar University, Vellore 632115 (India); Arof, A.K. [Centre for Ionics University of Malaya, Department of Physics, University of Malaya, Kuala Lumpur 50603 (Malaysia)

    2016-06-15

    Ternary metal selenides of (Ni{sub 1−x}Co{sub x})Se{sub 2} with 0≤x≤1 were synthesized by using one-step hydrothermal reduction route. The synthesized metal selenides were utilized as an efficient, low-cost platinum free counter electrode for dye-sensitized solar cells. The cyclic voltammetry and electrochemical impedance spectroscopy studies revealed that the Ni{sub 0.5}Co{sub 0.5}Se{sub 2} counter electrode exhibited higher electrocatalytic activity and lower charge transfer resistance at the counter electrode/electrolyte interface than the other compositions for reduction of triiodide to iodide. Ternary selenides of Ni{sub 0.5}Co{sub 0.5}Se{sub 2} offer a synergistic effect to the electrocatalytic activity for the reduction of triiodide that might be due to an increase in active catalytic sites and small charge transfer resistance. The DSSC with Ni{sub 0.5}Co{sub 0.5}Se{sub 2} counter electrode achieved a high power conversion efficiency of 6.02%, which is comparable with that of conventional platinum counter electrode (6.11%). This present investigation demonstrates the potential application of Ni{sub 0.5}Co{sub 0.5}Se{sub 2} as counter electrode in dye-sensitized solar cells.

  10. [Matrix transdermal systems for caffeine delivery based on polymer and emulsion compounds].

    Science.gov (United States)

    Kuznetsova, E G; Kuryleva, O M; Salomatina, L A; Sevast'ianov, V I

    2008-01-01

    The goal of this work was to develop and test transdermal therapeutic systems for caffeine delivery. In vitro experiments showed that the rate of caffeine diffusion through untreated rabbit skin from a transdermal therapeutic systems based on polymer compound containing 50 mg medicine was 67.2 (9.1 microg/cm2h; for a system based on emulsion compound it was 173 (19 microg/cm2h. Methods for studying the caffeine release rate and quantitative measurement of caffeine content in the emulsion-based transdermal therapeutic system were developed. These methods are required to obtain data for standard drug documentation. The results of in vivo experiments in rabbits showed the absence of irritating effect of the emulsion-based transdermal therapeutic system. The obtained data on the specific efficiency of the transdermal therapeutic systems for caffeine delivery (50 mg) in healthy volunteers showed that this medicine could be used as a nonnarcotic psychoactivator for improving mental and physical activities and attention concentration.

  11. Synthesis, spectral characterization and computed optical analysis of potent triazole based compounds

    Science.gov (United States)

    Sumrra, Sajjad H.; Mushtaq, Fazila; Khalid, Muhammad; Raza, Muhammad Asam; Nazar, Muhammad Faizan; Ali, Bakhat; Braga, Ataualpa A. C.

    2018-02-01

    Biologically active triazole Schiff base ligand (L) and metal complexes [Fe(II), Co(II), Ni(II), Cu(II) and Zn(II)] are reported herein. The ligand acted as tridentate and coordinated towards metallic ions via azomethine-N, triazolic-N moiety and deprotonated-O of phenyl substituents in an octahedral manner. These compounds were characterized by physical, spectral and analytical analysis. The synthesized ligand and metal complexes were screened for antibacterial pathogens against Chromohalobacter salexigens, Chromohalobacter israelensi, Halomonas halofila and Halomonas salina, antifungal bioassay against Aspergillus niger and Aspergellus flavin, antioxidant (DPPH, phosphomolybdate) and also for enzyme inhibition [butyrylcholinesterase (BChE) and acetylcholinesterase (AChE)] studies. The results of these activities indicated the ligand to possess potential activity which significantly increased upon chelation. Moreover, vibrational bands, frontier molecular orbitals (FMOs) and natural bond analysis (NBO) of ligand (1) were carried out through density functional theory (DFT) with B3lYP/6-311 ++G (d,p) approach. While, UV-Vis analysis was performed by time dependent TD-DFT with B3lYP/6-311 ++G (d,p) method. NBO analysis revealed that investigated compound (L) contains enormous molecular stability owing to hyper conjugative interactions. Theoretical spectroscopic findings showed good agreement to experimental spectroscopic data. Global reactivity descriptors were calculated using the energies of FMOs which indicated compound (L) might be bioactive. These parameters confirmed the charge transfer phenomenon and reasonable correspondence with experimental bioactivity results.

  12. Iron based superconductors and related compounds synthesized by solid state metathesis and high temperature reactions

    International Nuclear Information System (INIS)

    Frankovsky, Rainer

    2013-01-01

    The results of this thesis can be divided into three major topics, which can also be seen as different approaches of solid state chemistry to reveal interesting features of known and unknown compounds and to develop alternative synthesis routes. Firstly, known compounds with related structural motifs to the superconducting iron-arsenides were investigated regarding their structural and physical properties. In case of La 3 Pd 4 Ge 4 the influence of Fe doping on the properties was studied, whereas in the series ZrMAs (M=Ti,V) the physical properties have not yet been reported at all and were investigated for the first time. Secondly, an alternative synthesis route has been developed for the synthesis of superconducting LaFeAsO 1-x F x . This solid state metathesis reaction distinctly increased the quality of the samples compared to conventionally prepared products. Furthermore, the reaction pathway was investigated and clarified, which helps to understand the processes during high temperature solid state metathesis reactions in general. Thirdly, this alternative synthesis route was expanded to other systems and new compounds like co-substituted LaFe 1-x Mn x AsO 1-y F y were prepared and thoroughly investigated. This led to a complex study of the interplay of magnetism, electronic and structural conditions and the occurrence of superconducting properties. The investigation and understanding of such complex coherences will probably be decisive for the further understanding of the superconducting mechanism in iron based superconductors.

  13. Use of Time-Resolved Fluorescence to Monitor Bioactive Compounds in Plant Based Foodstuffs

    Directory of Open Access Journals (Sweden)

    M. Adília Lemos

    2015-06-01

    Full Text Available The study of compounds that exhibit antioxidant activity has recently received much interest in the food industry because of their potential health benefits. Most of these compounds are plant based, such as polyphenolics and carotenoids, and there is a need to monitor them from the field through processing and into the body. Ideally, a monitoring technique should be non-invasive with the potential for remote capabilities. The application of the phenomenon of fluorescence has proved to be well suited, as many plant associated compounds exhibit fluorescence. The photophysical behaviour of fluorescent molecules is also highly dependent on their microenvironment, making them suitable probes to monitor changes in pH, viscosity and polarity, for example. Time-resolved fluorescence techniques have recently come to the fore, as they offer the ability to obtain more information, coupled with the fact that the fluorescence lifetime is an absolute measure, while steady state just provides relative and average information. In this work, we will present illustrative time-resolved measurements, rather than a comprehensive review, to show the potential of time-resolved fluorescence applied to the study of bioactive substances. The aim is to help assess if any changes occur in their form, going from extraction via storage and cooking to the interaction with serum albumin, a principal blood transport protein.

  14. Screening for Antifibrotic Compounds Using High Throughput System Based on Fluorescence Polarization

    Directory of Open Access Journals (Sweden)

    Branko Stefanovic

    2014-04-01

    Full Text Available Fibroproliferative diseases are one of the leading causes of death worldwide. They are characterized by reactive fibrosis caused by uncontrolled synthesis of type I collagen. There is no cure for fibrosis and development of therapeutics that can inhibit collagen synthesis is urgently needed. Collagen α1(I mRNA and α2(I mRNA encode for type I collagen and they have a unique 5' stem-loop structure in their 5' untranslated regions (5'SL. Collagen 5'SL binds protein LARP6 with high affinity and specificity. The interaction between LARP6 and the 5'SL is critical for biosynthesis of type I collagen and development of fibrosis in vivo. Therefore, this interaction represents is an ideal target to develop antifibrotic drugs. A high throughput system to screen for chemical compounds that can dissociate LARP6 from 5'SL has been developed. It is based on fluorescence polarization and can be adapted to screen for inhibitors of other protein-RNA interactions. Screening of 50,000 chemical compounds yielded a lead compound that can inhibit type I collagen synthesis at nanomolar concentrations. The development, characteristics, and critical appraisal of this assay are presented.

  15. Constraints of Compound Systems: Prerequisites for Thermodynamic Modeling Based on Shannon Entropy

    Directory of Open Access Journals (Sweden)

    Martin Pfleger

    2014-05-01

    Full Text Available Thermodynamic modeling of extensive systems usually implicitly assumes the additivity of entropy. Furthermore, if this modeling is based on the concept of Shannon entropy, additivity of the latter function must also be guaranteed. In this case, the constituents of a thermodynamic system are treated as subsystems of a compound system, and the Shannon entropy of the compound system must be subjected to constrained maximization. The scope of this paper is to clarify prerequisites for applying the concept of Shannon entropy and the maximum entropy principle to thermodynamic modeling of extensive systems. This is accomplished by investigating how the constraints of the compound system have to depend on mean values of the subsystems in order to ensure additivity. Two examples illustrate the basic ideas behind this approach, comprising the ideal gas model and condensed phase lattice systems as limiting cases of fluid phases. The paper is the first step towards developing a new approach for modeling interacting systems using the concept of Shannon entropy.

  16. Predicting adsorption of aromatic compounds by carbon nanotubes based on quantitative structure property relationship principles

    Science.gov (United States)

    Rahimi-Nasrabadi, Mehdi; Akhoondi, Reza; Pourmortazavi, Seied Mahdi; Ahmadi, Farhad

    2015-11-01

    Quantitative structure property relationship (QSPR) models were developed to predict the adsorption of aromatic compounds by carbon nanotubes (CNTs). Five descriptors chosen by combining self-organizing map and stepwise multiple linear regression (MLR) techniques were used to connect the structure of the studied chemicals with their adsorption descriptor (K∞) using linear and nonlinear modeling techniques. Correlation coefficient (R2) of 0.99 and root-mean square error (RMSE) of 0.29 for multilayered perceptron neural network (MLP-NN) model are signs of the superiority of the developed nonlinear model over MLR model with R2 of 0.93 and RMSE of 0.36. The results of cross-validation test showed the reliability of MLP-NN to predict the K∞ values for the aromatic contaminants. Molar volume and hydrogen bond accepting ability were found to be the factors much influencing the adsorption of the compounds. The developed QSPR, as a neural network based model, could be used to predict the adsorption of organic compounds by CNTs.

  17. A high-throughput search for new ternary superalloys

    Science.gov (United States)

    Nyshadham, Chandramouli; Hansen, Jacob; Oses, Corey; Curtarolo, Stefano; Hart, Gus

    In 2006 an unexpected new superalloy, Co3[Al,W], was discovered. This new alloy is cobalt-based, in contrast to conventional superalloys, which are nickel-based. Inspired by this new discovery, we performed first-principles calculations, searching through 2224 ternary metallic systems of the form A3[B0.5C0.5], where A = Ni/Co/Fe and [B, C] = all binary combinations of 40 different elements chosen from the periodic table. We found 175 new systems that are better than the Co3[Al, W] superalloy. 75 of these systems are brand new--they have never been reported in experimental literature. These 75 new potential superalloys are good candidates for further experiments. Our calculations are consistent with current experimental literature where data exists. Work supported under: ONR (MURI N00014-13-1-0635).

  18. Synthesis and Characterization of Novel Ternary and Quaternary Alkali Metal Thiophosphates

    KAUST Repository

    Alahmary, Fatimah S.

    2014-05-01

    The ongoing development of nonlinear optical (NLO) crystals such as coherent mid-IR sources focuses on various classes of materials such as ternary and quaternary metal chalcophosphates. In case of thiophosphates, the connection between PS4-tetrahedral building blocks and metals gives rise to a broad structural variety where approximately one third of all known ternary (A/P/S) and quaternary (A/M/P/S) (A = alkali metal, M = metal) structures are acentric and potential nonlinear optical materials. The molten alkali metal polychalcophosphate fluxes are a well-established method for the synthesis of new ternary and quaternary thiophosphate and selenophosphate compounds. It has been a wide field of study and investigation through the last two decades. Here, the flux method is used for the synthesis of new quaternary phases containing Rb, Ag, P and S. Four new alkali metal thiophosphates, Rb4P2S10, RbAg5(PS4), Rb2AgPS4 and Rb3Ag9(PS4)4, have been synthesized successfully from high purity elements and binary starting materials. The new compounds were characterized by single crystal and powder X-ray diffraction, scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDS), ultraviolet-visible (UV-VIS), Raman spectroscopy, thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). These compounds show interesting structural variety and physical properties. The crystal structures feature 3D anionic framework built up of PS4 tetrahedral units and charge balanced by Ag and alkali metal cations. All prepared compounds are semiconductors with band gap between 2.3 eV to 2.6 eV and most of them are thermally stable up to 600ºC.

  19. Study of the relationship between chemical structure and antimicrobial activity in a series of hydrazine-based coordination compounds.

    Science.gov (United States)

    Dobrova, B N; Dimoglo, A S; Chumakov, Y M

    2000-08-01

    The dependence of antimicrobial activity on the structure of compounds is studied in a series of compounds based on hydrazine coordinated with ions of Cu(II), Ni(II) and Pd(II). The study has been carried out by means of the original electron-topological method developed earlier. A molecular fragment has been found that is only characteristic of biologically active compounds. Its spatial and electron parameters have been used for the quantitative assessment of the activity in view. The results obtained can be used for the antimicrobial activity prediction in a series of compounds with similar structures.

  20. Studies on in vitro biostability and blood compatibility of polyurethane potting compound based on aromatic polymeric MDI for extracorporeal devices.

    Science.gov (United States)

    Hridya, V K; Jayabalan, M

    2009-12-01

    Polyurethane potting compound based on aromatic isocyanurate of polymeric MDI, poly propylene glycol (PPG400) and trimethylol propane (TMP) has significant favourable properties, good pot life and setting characteristics. The cured potting compound of this formulation has appreciable thermal stability and mechanical properties. In vitro biostability of cured potting compound has been found to be excellent without any significant degradation in simulated physiological media and chemical environment. Studies on blood-material interaction and cytotoxicity reveal in vitro blood compatibility and compatibility with cells of this potting compound.

  1. Bond-based linear indices in QSAR: computational discovery of novel anti-trichomonal compounds

    Science.gov (United States)

    Marrero-Ponce, Yovani; Meneses-Marcel, Alfredo; Rivera-Borroto, Oscar M.; García-Domenech, Ramón; De Julián-Ortiz, Jesus Vicente; Montero, Alina; Escario, José Antonio; Barrio, Alicia Gómez; Pereira, David Montero; Nogal, Juan José; Grau, Ricardo; Torrens, Francisco; Vogel, Christian; Arán, Vicente J.

    2008-08-01

    Trichomonas vaginalis ( Tv) is the causative agent of the most common, non-viral, sexually transmitted disease in women and men worldwide. Since 1959, metronidazole (MTZ) has been the drug of choice in the systemic treatment of trichomoniasis. However, resistance to MTZ in some patients and the great cost associated with the development of new trichomonacidals make necessary the development of computational methods that shorten the drug discovery pipeline. Toward this end, bond-based linear indices, new TOMOCOMD-CARDD molecular descriptors, and linear discriminant analysis were used to discover novel trichomonacidal chemicals. The obtained models, using non-stochastic and stochastic indices, are able to classify correctly 89.01% (87.50%) and 82.42% (84.38%) of the chemicals in the training (test) sets, respectively. These results validate the models for their use in the ligand-based virtual screening. In addition, they show large Matthews' correlation coefficients ( C) of 0.78 (0.71) and 0.65 (0.65) for the training (test) sets, correspondingly. The result of predictions on the 10% full-out cross-validation test also evidences the robustness of the obtained models. Later, both models are applied to the virtual screening of 12 compounds already proved against Tv. As a result, they correctly classify 10 out of 12 (83.33%) and 9 out of 12 (75.00%) of the chemicals, respectively; which is the most important criterion for validating the models. Besides, these classification functions are applied to a library of seven chemicals in order to find novel antitrichomonal agents. These compounds are synthesized and tested for in vitro activity against Tv. As a result, experimental observations approached to theoretical predictions, since it was obtained a correct classification of 85.71% (6 out of 7) of the chemicals. Moreover, out of the seven compounds that are screened, synthesized and biologically assayed, six compounds (VA7-34, VA7-35, VA7-37, VA7-38, VA7-68, VA7-70) show

  2. State diagram of U-Al-Si as a basis for analysis of the processes in nuclear fuel compositions based on U(Al, Si)3 and U3Si compounds

    International Nuclear Information System (INIS)

    Chebotarev, N.T.; Konovalov, L.N.; Zhmak, V.A.; Chebotarev, Ya.N.

    1996-01-01

    Results of studies into the Al-UAl 3 -USi 3 -Si of the U-Al-Si ternary system are presented. It is established that phase equilibrium between the intermetallic compound U(Al, Si) 3 and the aluminium-silicon alloys may be presented in form of conodes on the isothermal cross-section of the state diagram. It is shown that the U(Al, Si) 3 intermetallic compound, containing up to 6.5 at.% silicon, interacts both with liquid and solid aluminium with the U(Al, Si) 4 phase formation [ru

  3. An improved ternary vector system for Agrobacterium-mediated rapid maize transformation.

    Science.gov (United States)

    Anand, Ajith; Bass, Steven H; Wu, Emily; Wang, Ning; McBride, Kevin E; Annaluru, Narayana; Miller, Michael; Hua, Mo; Jones, Todd J

    2018-04-23

    A simple and versatile ternary vector system that utilizes improved accessory plasmids for rapid maize transformation is described. This system facilitates high-throughput vector construction and plant transformation. The super binary plasmid pSB1 is a mainstay of maize transformation. However, the large size of the base vector makes it challenging to clone, the process of co-integration is cumbersome and inefficient, and some Agrobacterium strains are known to give rise to spontaneous mutants resistant to tetracycline. These limitations present substantial barriers to high throughput vector construction. Here we describe a smaller, simpler and versatile ternary vector system for maize transformation that utilizes improved accessory plasmids requiring no co-integration step. In addition, the newly described accessory plasmids have restored virulence genes found to be defective in pSB1, as well as added virulence genes. Testing of different configurations of the accessory plasmids in combination with T-DNA binary vector as ternary vectors nearly doubles both the raw transformation frequency and the number of transformation events of usable quality in difficult-to-transform maize inbreds. The newly described ternary vectors enabled the development of a rapid maize transformation method for elite inbreds. This vector system facilitated screening different origins of replication on the accessory plasmid and T-DNA vector, and four combinations were identified that have high (86-103%) raw transformation frequency in an elite maize inbred.

  4. A Solution-Based Temperature Sensor Using the Organic Compound CuTsPc

    Directory of Open Access Journals (Sweden)

    Shahino Mah Abdullah

    2014-06-01

    Full Text Available An electrochemical cell using an organic compound, copper (II phthalocyanine-tetrasulfonic acid tetrasodium salt (CuTsPc, has been fabricated and investigated as a solution-based temperature sensor. The capacitance and resistance of the ITO/CuTsPc solution/ITO chemical cell has been characterized as a function of temperature in the temperature range of 25–80 °C. A linear response with minimal hysteresis is observed. The fabricated temperature sensor has shown high consistency and sensitive response towards a specific range of temperature values.

  5. Aurivillius BaBi4Ti4O15 based compounds: Structure, synthesis and properties

    Directory of Open Access Journals (Sweden)

    Jelena D. Bobić

    2014-09-01

    Full Text Available The discovery of some Aurivillius materials with high Curie temperature or fatigue-free character suggests possible applications in high temperature piezoelectric devices or non-volatile ferroelectric random access memories. Furthermore, increasing concerns for environmental issues have promoted the study of new lead- free piezoelectric materials. Barium bismuth titanate (BaBi4Ti4O15 , an Aurivillius compound, is promising candidate to replace lead-based materials, both as lead-free ferroelectric and high temperature piezoelectric. In this review paper, we report a detailed overview of crystal structure, different synthesis methods and char- acteristic properties of barium bismuth titanate ferroelectric materials.

  6. Compound parabolic concentrator optical fiber tip for FRET-based fluorescent sensors

    DEFF Research Database (Denmark)

    Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Soren

    2015-01-01

    polymer optical fiber for an excitation and emission wavelength of 550 nm and 650nm, respectively. The model suggests an increase of a factor of 1.6 to 4 in the collected fluorescent power for an ideal CPC tip, as compared to the plane-cut fiber tip for fiber lengths between 5 and 45mm......The Compound Parabolic Concentrator (CPC) optical fiber tip shape has been proposed for intensity based fluorescent sensors working on the principle of FRET (Förster Resonance Energy Transfer). A simple numerical Zemax model has been used to optimize the CPC tip geometry for a step-index multimode...

  7. Polymer Optical Fiber Compound Parabolic Concentrator fiber tip based glucose sensor: In-Vitro Testing

    DEFF Research Database (Denmark)

    Hassan, Hafeez Ul; Janting, Jakob; Aasmul, Soren

    2016-01-01

    We present in-vitro sensing of glucose using a newly developed efficient optical fiber glucose sensor based on a Compound Parabolic Concentrator (CPC) tipped polymer optical fiber (POF). A batch of 9 CPC tipped POF sensors with a 35 mm fiber length is shown to have an enhanced fluorescence pickup...... efficiency with an average increment factor of 1.7 as compared to standard POF sensors with a plane cut fiber tip. Invitro measurements for two glucose concentrations (40 and 400 mg/dL) confirm that the CPC tipped sensors efficiently can detect both glucose concentrations. it sets the footnote at the bottom...

  8. Saccharin: a lead compound for structure-based drug design of carbonic anhydrase IX inhibitors.

    Science.gov (United States)

    Mahon, Brian P; Hendon, Alex M; Driscoll, Jenna M; Rankin, Gregory M; Poulsen, Sally-Ann; Supuran, Claudiu T; McKenna, Robert

    2015-02-15

    Carbonic anhydrase IX (CA IX) is a key modulator of aggressive tumor behavior and a prognostic marker and target for several cancers. Saccharin (SAC) based compounds may provide an avenue to overcome CA isoform specificity, as they display both nanomolar affinity and preferential binding, for CA IX compared to CA II (>50-fold for SAC and >1000-fold when SAC is conjugated to a carbohydrate moiety). The X-ray crystal structures of SAC and a SAC-carbohydrate conjugate bound to a CA IX-mimic are presented and compared to CA II. The structures provide substantial new insight into the mechanism of SAC selective CA isoform inhibition. Published by Elsevier Ltd.

  9. Novel siRNA delivery system using a ternary polymer complex with strong silencing effect and no cytotoxicity.

    Science.gov (United States)

    Kodama, Yukinobu; Shiokawa, Yumi; Nakamura, Tadahiro; Kurosaki, Tomoaki; Aki, Keisei; Nakagawa, Hiroo; Muro, Takahiro; Kitahara, Takashi; Higuchi, Norihide; Sasaki, Hitoshi

    2014-01-01

    We developed a novel small interfering RNA (siRNA) delivery system using a ternary complex with polyethyleneimine (PEI) and γ-polyglutamic acid (γ-PGA), which showed silencing effect and no cytotoxicity. The binary complexes of siRNA with PEI were approximately 73-102 nm in particle size and 45-52 mV in ζ-potential. The silencing effect of siRNA/PEI complexes increased with an increase of PEI, and siRNA/PEI complexes with a charge ratio greater than 16 showed significant luciferase knockdown in a mouse colon carcinoma cell line regularly expressing luciferase (Colon26/Luc cells). However, strong cytotoxicity and blood agglutination were observed in the siRNA/Lipofectamine complex and siRNA/PEI16 complex. Recharging cationic complexes with an anionic compound was reported to be a promising method for overcoming these toxicities. We therefore prepared ternary complexes of siRNA with PEI (charge ratio 16) by the addition of γ-PGA to reduce cytotoxicity and deliver siRNA. As expected, the cytotoxicity of the ternary complexes decreased with an increase of γ-PGA content, which decreased the ζ-potential of the complexes. A strong silencing effect comparable to siRNA/Lipofectamine complex was discovered in ternary complexes including γ-PGA with an anionic surface charge. The high incorporation of ternary complexes into Colon26/Luc cells was confirmed with fluorescence microcopy. Having achieved knockdown of an exogenously transfected gene, the ability of the complex to mediate knockdown of an endogenous housekeeping gene, glyceraldehyde 3-phosphate dehydrogenase (GAPDH), was assessed in B16-F10 cells. The ternary complex (siRNA/PEI16/γ-PGA12 complex) exhibited a significant GAPDH knockdown effect. Thus, we developed a useful siRNA delivery system.

  10. High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Daniel A. Mosher; Xia Tang; Ronald J. Brown; Sarah Arsenault; Salvatore Saitta; Bruce L. Laube; Robert H. Dold; Donald L. Anton

    2007-07-27

    This final report describes the motivations, activities and results of the hydrogen storage independent project "High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides" performed by the United Technologies Research Center under the Department of Energy Hydrogen Program, contract # DE-FC36-02AL67610. The objectives of the project were to identify and address the key systems technologies associated with applying complex hydride materials, particularly ones which differ from those for conventional metal hydride based storage. This involved the design, fabrication and testing of two prototype systems based on the hydrogen storage material NaAlH4. Safety testing, catalysis studies, heat exchanger optimization, reaction kinetics modeling, thermochemical finite element analysis, powder densification development and material neutralization were elements included in the effort.

  11. Efficient fluorescent deep-blue and hybrid white emitting devices based on carbazole/benzimidazole compound

    KAUST Repository

    Yang, Xiaohui

    2011-07-28

    We report the synthesis, photophysics, and electrochemical characterization of carbazole/benzimidazole-based compound (Cz-2pbb) and efficient fluorescent deep-blue light emitting devices based on Cz-2pbb with the peak external quantum efficiency of 4.1% and Commission Internationale dÉnclairage coordinates of (0.16, 0.05). Efficient deep-blue emission as well as high triplet state energy of Cz-2pbb enables fabrication of hybrid white organic light emitting diodes with a single emissive layer. Hybrid white emitting devices based on Cz-2pbb show the peak external quantum efficiency exceeding 10% and power efficiency of 14.8 lm/W at a luminance of 500 cd/m2. © 2011 American Chemical Society.

  12. Einstein relation in compound semiconductors and their nanostructures

    CERN Document Server

    Bhattacharya, Sitangshu

    2008-01-01

    Deals with the Einstein relation in compound semiconductors and their nanostructures. This book considers materials such as nonlinear optical, III-V, ternary, quaternary, II-VI, IV-VI, Bismuth, stressed compounds, quantum wells, quantum wires, nipi structures, carbon nanotubes, heavily doped semiconductors, and inversion layers.

  13. A strategy for screening active lead compounds and functional compound combinations from herbal medicines based on pharmacophore filtering and knockout/knockin chromatography.

    Science.gov (United States)

    Song, Hui-Peng; Wu, Si-Qi; Qi, Lian-Wen; Long, Fang; Jiang, Li-Feng; Liu, Ke; Zeng, Hao; Xu, Zhi-Meng; Li, Ping; Yang, Hua

    2016-07-22

    Screening and deciphering active natural products of herbal medicines are of great importance for modern drug discovery. In this study, a novel strategy was proposed to rapidly filter ineffective compounds and target the most potential leads. The aim is to answer the key question of what components are responsible for the holistic bioactivity of an herbal product. To support the strategy, the pharmacophore-guided knockout/knockin chromatography was established for the first time. The greatest advantage of this method is that any interesting components could be automatically fished or knocked out. The method validation shows that the herbal extract was accurately reconstructed according to the experimental design. By combining with bioactivity assays, we demonstrated that "functional compound combination (FCC)", which is the core and indispensable effective part, could be discovered from an herbal medicine and suitable as marker compounds for quality control. The applicable objects of the strategy include single herbs, herbal formulas and commercially herbal preparations. As an illustrative case study, the strategy was successfully applied to simultaneously determine active leads and the FCC in Dan-Qi formula which shows excellent free radical scavenging activity. The potential mechanisms of compounds in Dan-Qi formula reacting with three different free radicals were systematically reported for the first time. This strategy was expected to unveil the mystery of herbal medicines and inspire a natural product-based drug discovery. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Isothermal section of the Er-Cu-Ga ternary system at 973 K

    Energy Technology Data Exchange (ETDEWEB)

    Belgacem, B. [Unite de Recherche de Chimie des Materiaux et de l' Environnement (UR11ES25), ISSBAT, Universite de Tunis ElManar, 9 Avenue Dr. Zoheir Safi, 1006 Tunis (Tunisia); Pasturel, M., E-mail: mathieu.pasturel@univ-rennes1.fr [Institut des Sciences Chimiques de Rennes, Chimie du Solide et Materiaux, UMR CNRS 6226, Universite de Rennes 1, Campus de Beaulieu, 35042 Rennes (France); Tougait, O. [Institut des Sciences Chimiques de Rennes, Chimie du Solide et Materiaux, UMR CNRS 6226, Universite de Rennes 1, Campus de Beaulieu, 35042 Rennes (France); Nouri, S. [Unite de Recherche de Chimie des Materiaux et de l' Environnement (UR11ES25), ISSBAT, Universite de Tunis ElManar, 9 Avenue Dr. Zoheir Safi, 1006 Tunis (Tunisia); Bekkachi, H. El; Peron, I. [Institut des Sciences Chimiques de Rennes, Chimie du Solide et Materiaux, UMR CNRS 6226, Universite de Rennes 1, Campus de Beaulieu, 35042 Rennes (France); Hassen, R. Ben [Unite de Recherche de Chimie des Materiaux et de l' Environnement (UR11ES25), ISSBAT, Universite de Tunis ElManar, 9 Avenue Dr. Zoheir Safi, 1006 Tunis (Tunisia); Noeel, H. [Institut des Sciences Chimiques de Rennes, Chimie du Solide et Materiaux, UMR CNRS 6226, Universite de Rennes 1, Campus de Beaulieu, 35042 Rennes (France)

    2012-08-05

    Highlights: Black-Right-Pointing-Pointer The isothermal section at 973 K of the Er-Cu-Ga ternary phase diagram has been established for the first time. Black-Right-Pointing-Pointer Eight extensions of binary compounds in the ternary domain have been identified, as well as six ternary intermediate solid solutions characterized by an important Cu/Ga mutual substitution. Black-Right-Pointing-Pointer Magnetic properties of Er{sub 3}(Cu,Ga){sub 11} are reported for the first time and confirms the paramagnetic Curie-Weiss behavior of all the six intermediate intermetallics. - Abstract: Phase relations in the Er-Cu-Ga ternary system have been established at 973 K by means of powder X-ray diffraction complemented by energy dispersive spectroscopy coupled to scanning electron microscopy. The isothermal section of the phase diagram comprises eight extensions of binaries into the ternary system, ErCu{sub 1-x}Ga{sub x} (x {<=} 0.5), ErCu{sub 2-x}Ga{sub x} (x {<=} 1.1), ErCu{sub 5-x}Ga{sub x} (x {<=} 0.5), Er{sub 5}Cu{sub x}Ga{sub 3-x} (x {<=} 0.60), Er{sub 3}Cu{sub x}Ga{sub 2-x} (x {<=} 0.24), ErCu{sub x}Ga{sub 1-x} (x {<=} 0.10), ErCu{sub x}Ga{sub 2-x} (x {<=} 0.30) and ErCu{sub x}Ga{sub 3-x} (x {<=} 0.35), as well as six ternary intermediate phases, ErCu{sub x}Ga{sub 2-x} (0.4 {<=} x {<=} 0.7), Er{sub 14}Cu{sub 51-x}Ga{sub x} (5.5 {<=} x {<=} 11.0), ErCu{sub 5-x}Ga{sub x} (0.8 {<=} x {<=} 2.3), Er{sub 2}Cu{sub 17-x}Ga{sub x} (4.9 {<=} x {<=} 8.0), ErCu{sub 12-x}Ga{sub x} (5.7 {<=} x {<=} 6.7) and Er{sub 3}Cu{sub x}Ga{sub 11-x} (1.5 {<=} x {<=} 4.4), all deriving from binary structure-types.

  15. Dumbbells and onions in ternary nucleation.

    Science.gov (United States)

    Nellas, Ricky B; Chen, Bin; Siepmann, J Ilja

    2007-06-14

    Molecular simulations for a ternary nucleation system (water/n-nonane/1-butanol) demonstrate a more complex nucleation mechanism than previously thought, where critical nuclei with different compositions are present even for a given vapour-phase composition; the spatial distribution in these critical nuclei is heterogeneous and dumbbell and onion motifs are found; in the former, water and nonane nano-droplets are connected through a butanol handle, while in the latter a water core is surrounded by a nonane corona with an interfacial butanol shell.

  16. Diagnosis of Compound Fault Using Sparsity Promoted-Based Sparse Component Analysis.

    Science.gov (United States)

    Hao, Yansong; Song, Liuyang; Ke, Yanliang; Wang, Huaqing; Chen, Peng

    2017-06-06

    Compound faults often occur in rotating machinery, which increases the difficulty of fault diagnosis. In this case, blind source separation, which usually includes independent component analysis (ICA) and sparse component analysis (SCA), was proposed to separate mixed signals. SCA, which is based on the sparsity of target signals, was developed to sever the compound faults and effectively diagnose the fault due to its advantage over ICA in underdetermined conditions. However, there is an issue regarding the vibration signals, which are inadequately sparse, and it is difficult to represent them in a sparse way. Accordingly, to overcome the above-mentioned problem, a sparsity-promoted approach named wavelet modulus maxima is applied to obtain the sparse observation signal. Then, the potential function is utilized to estimate the number of source signals and the mixed matrix based on the sparse signal. Finally, the separation of the source signals can be achieved according to the shortest path method. To validate the effectiveness of the proposed method, the simulated signals and vibration signals measured from faulty roller bearings are used. The faults that occur in a roller bearing are the outer-race flaw, the inner-race flaw and the rolling element flaw. The results show that the fault features acquired using the proposed approach are evidently close to the theoretical values. For instance, the inner-race feature frequency 101.3 Hz is very similar to the theoretical calculation 101 Hz. Therefore, it is effective to achieve the separation of compound faults utilizing the suggest method, even in underdetermined cases. In addition, a comparison is applied to prove that the proposed method outperforms the traditional SCA method when the vibration signals are inadequate.

  17. Viscometric and thermodynamic studies of interactions in ternary ...

    Indian Academy of Sciences (India)

    Viscometric and thermodynamic studies of interactions in ternary solutions containing sucrose and aqueous alkali metal halides at 293.15, 303.15 and 313.15 K. Reena Gupta Mukhtar Singh ... Keywords. Ternary solutions; interactions of ionic and nonionic solutes; partial molar volumes; sucrosealkali metal halide solutions.

  18. A high-speed interconnect network using ternary logic

    DEFF Research Database (Denmark)

    Madsen, Jens Kargaard; Long, S. I.

    1995-01-01

    This paper describes the design and implementation of a high-speed interconnect network (ICN) for a multiprocessor system using ternary logic. By using ternary logic and a fast point-to-point communication technique called STARI (Self-Timed At Receiver's Input), the communication between...

  19. Density-Driven segregation in Binary and Ternary Granular Systems

    NARCIS (Netherlands)

    Windows-Yule, Kit; Parker, David

    2015-01-01

    We present a first experimental study of density-induced segregation within a three-dimensional, vibrofluidised, ternary granular system. Using Positron Emission Particle Tracking (PEPT), we study the steady-state particle distributions achieved by binary and ternary granular beds under a variety of

  20. Calculation of ternary interdiffusion coefficients using a single diffusion couple

    Czech Academy of Sciences Publication Activity Database

    Čermák, Jiří; Rothová, Věra

    2016-01-01

    Roč. 54, č. 5 (2016), s. 305-314 ISSN 0023-432X R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068 Institutional support: RVO:68081723 Keywords : diffusion * interdiffusion * ternary alloys * ternary diffusion coefficients Subject RIV: BJ - Thermodynamic s Impact factor: 0.366, year: 2016

  1. Prediction of high-Tc conventional superconductivity in the ternary lithium borohydride system

    Science.gov (United States)

    Kokail, Christian; von der Linden, Wolfgang; Boeri, Lilia

    2017-12-01

    We investigate the superconducting ternary lithium borohydride phase diagram at pressures of 0 and 200 GPa using methods for evolutionary crystal structure prediction and linear-response calculations for the electron-phonon coupling. Our calculations show that the ground state phase at ambient pressure, LiBH4, stays in the P n m a space group and remains a wide band-gap insulator at all pressures investigated. Other phases along the 1 :1 :x Li:B:H line are also insulating. However, a full search of the ternary phase diagram at 200 GPa revealed a metallic Li2BH6 phase, which is thermodynamically stable down to 100 GPa. This superhydride phase, crystallizing in a F m 3 ¯m space group, is characterized by sixfold hydrogen-coordinated boron atoms occupying the fcc sites of the unit cell. Due to strong hydrogen-boron bonding this phase displays a critical temperature of ˜100 K between 100 and 200 GPa. Our investigations confirm that ternary compounds used in hydrogen-storage applications should exhibit high-Tc conventional superconductivity in diamond anvil cell experiments, and suggest a viable route to optimize the superconducting behavior of high-pressure hydrides, exploiting metallic covalent bonds.

  2. Role of nanosilica localization on morphology development of HDPE/PS/PMMA immiscible ternary blends

    Directory of Open Access Journals (Sweden)

    Z. Javidi

    2017-05-01

    Full Text Available In this work, we studied the parameters affecting the localization of hydrophobic nanosilica particles and its impact on morphology development of polyethylene/polystyrene/poly (methyl methacrylate (HDPE/PS/PMMA ternary blends, which originally have a thermodynamically preferred core–shell type morphology, by means of a combination of rheology and electron microscopy. An attempt was also made to compare the experimental results with thermodynamic predictions. The ternary blend samples with the same blend ratio but varying in nanosilica loadings were prepared by melt compounding using a laboratory internal mixer. It was demonstrated that the nanosilica localization which could be controlled by the sequence of feeding, would play a significant role in determining the morphology development of the nanofilled ternary blend samples. It was shown that in contrary to thermodynamic prediction of a core shell morphology for the nanofilled samples, the highly enhanced melt elasticity of nanosilica filled polystyrene phase did not allow the PS phase to form a complete encapsulating shell.

  3. Anisotropy of the Seebeck and Nernst coefficients in parent compounds of the iron-based superconductors

    Science.gov (United States)

    Matusiak, Marcin; Babij, Michał; Wolf, Thomas

    2018-03-01

    In-plane longitudinal and transverse thermoelectric phenomena in two parent compounds of iron-based superconductors are studied. Namely, the Seebeck (S ) and Nernst (ν) coefficients were measured in the temperature range 10-300 K for BaF e2A s2 and CaF e2A s2 single crystals that were detwinned in situ. The thermoelectric response shows sizable anisotropy in the spin density wave (SDW) state for both compounds, while some dissimilarities in the vicinity of the SDW transition can be attributed to the different nature of the phase change in BaF e2A s2 and CaF e2A s2 . Temperature dependences of S and ν can be described within a two-band model that contains a contribution from highly mobile, probably Dirac, electrons. The Dirac band seems to be rather isotropic, whereas most of the anisotropy in the transport phenomena could be attributed to "regular" holelike charge carriers. We also observe that the off-diagonal element of the Peltier tensor αx y is not the same for the a and b orthorhombic axes, which indicates that the widely used Mott formula is not applicable to the SDW state of iron-based superconductors.

  4. A Concentrator Photovoltaic System Based on a Combination of Prism-Compound Parabolic Concentrators

    Directory of Open Access Journals (Sweden)

    Ngoc Hai Vu

    2016-08-01

    Full Text Available We present a cost-effective concentrating photovoltaic system composed of a prism and a compound parabolic concentrator (P-CPC. In this approach, the primary collector consists of a prism, a solid compound parabolic concentrator (CPC, and a slab waveguide. The prism, which is placed on the input aperture of CPC, directs the incoming sunlight beam to be parallel with the main axes of parabolic rims of CPC. Then, the sunlight is reflected at the parabolic rims and concentrated at the focal point of these parabolas. A slab waveguide is coupled at the output aperture of the CPC to collect focused sunlight beams and to guide them to the solar cell. The optical system was modeled and simulated with commercial ray tracing software (LightTools™. Simulation results show that the optical efficiency of a P-CPC can achieve up to 89%. when the concentration ratio of the P-CPC is fixed at 50. We also determine an optimal geometric structure of P-CPC based on simulation. Because of the simplicity of the P-CPC structure, a lower-cost mass production process is possible. A simulation based on optimal structure of P-CPC was performed and the results also shown that P-CPC has high angular tolerance for input sunlight. The high tolerance of the input angle of sunlight allows P-CPC solar concentrator utilize a single sun tracking system instead of a highly precise dual suntracking system as cost effective solution.

  5. A review of plant-based compounds and medicinal plants effective on atherosclerosis

    Directory of Open Access Journals (Sweden)

    Mehrnoosh Sedighi

    2017-01-01

    Full Text Available Atherosclerosis is one of the most important cardiovascular diseases that involve vessels through the development of fatty streaks and plaques. Plant-based compounds can help treat or prevent atherosclerosis through affecting the involved factors. The main purpose of this review article is to investigate and introduce medicinal plants and their potential activities regarding antioxidant properties, effective on lipids level and development of plaque, atherosclerosis, and progression of atherosclerosis as well as the development of cardiovascular disease and ischemia. To search for the relevant articles indexed in Information Sciences Institute, PubMed, Scientific Information Database, IranMedex, and Scopus between 1980 and 2013, with further emphasis on those indexed from 2004 to 2015, we used these search terms: atherosclerosis, antioxidant, cholesterol, inflammation, and the medicinal plants below. Then, the articles with inclusion criteria were used in the final analysis of the findings. Plant-based active compounds, including phenols, flavonoids, and antioxidants, can be effective on atherosclerosis predisposing factors and hence in preventing this disease and associated harmful complications, especially through reducing cholesterol, preventing increase in free radicals, and ultimately decreasing vascular plaque and vascular resistance. Hence, medicinal plants can contribute to treating atherosclerosis and preventing its progression through reducing cholesterolemia, free radicals, inflammation, vascular resistance, and certain enzymes. They, alone or in combination with hypocholesterolemic drugs, can therefore be useful for patients with hyperlipidemia and its complications.

  6. A review of plant-based compounds and medicinal plants effective on atherosclerosis

    Science.gov (United States)

    Sedighi, Mehrnoosh; Bahmani, Mahmoud; Asgary, Sedigheh; Beyranvand, Fatemeh; Rafieian-Kopaei, Mahmoud

    2017-01-01

    Atherosclerosis is one of the most important cardiovascular diseases that involve vessels through the development of fatty streaks and plaques. Plant-based compounds can help treat or prevent atherosclerosis through affecting the involved factors. The main purpose of this review article is to investigate and introduce medicinal plants and their potential activities regarding antioxidant properties, effective on lipids level and development of plaque, atherosclerosis, and progression of atherosclerosis as well as the development of cardiovascular disease and ischemia. To search for the relevant articles indexed in Information Sciences Institute, PubMed, Scientific Information Database, IranMedex, and Scopus between 1980 and 2013, with further emphasis on those indexed from 2004 to 2015, we used these search terms: atherosclerosis, antioxidant, cholesterol, inflammation, and the medicinal plants below. Then, the articles with inclusion criteria were used in the final analysis of the findings. Plant-based active compounds, including phenols, flavonoids, and antioxidants, can be effective on atherosclerosis predisposing factors and hence in preventing this disease and associated harmful complications, especially through reducing cholesterol, preventing increase in free radicals, and ultimately decreasing vascular plaque and vascular resistance. Hence, medicinal plants can contribute to treating atherosclerosis and preventing its progression through reducing cholesterolemia, free radicals, inflammation, vascular resistance, and certain enzymes. They, alone or in combination with hypocholesterolemic drugs, can therefore be useful for patients with hyperlipidemia and its complications. PMID:28461816

  7. A novel tyrosinase biosensor based on hydroxyapatite-chitosan nanocomposite for the detection of phenolic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Lu Limin; Zhang Li [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); State Key Laboratory of Fine Chemicals, Dalian University of Technology, 158 Zhongshan Road, Dalian 116012 (China); Zhang Xiaobing, E-mail: xbzhang@hnu.cn [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); State Key Laboratory of Fine Chemicals, Dalian University of Technology, 158 Zhongshan Road, Dalian 116012 (China); Huan Shuangyan; Shen Guoli; Yu Ruqin [State Key Laboratory of Chemo/Biosensing and Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082 (China); State Key Laboratory of Fine Chemicals, Dalian University of Technology, 158 Zhongshan Road, Dalian 116012 (China)

    2010-04-30

    A novel tyrosinase biosensor based on hydroxyapatite nanoparticles (nano-HA)-chitosan nanocomposite has been developed for the detection of phenolic compounds. The uniform and size controlled nano-HA was synthesized by hydrothermal method, and its morphological characterization was examined by transmission electron microscope (TEM). Tyrosinase was then immobilized on a nano-HA-chitosan nanocomposite-modified gold electrode. Electrochemical impedance spectroscopy and cyclic voltammetry were used to characterize the sensing film. The prepared biosensor was applied to determine phenolic compounds by monitoring the reduction signal of the biocatalytically produced quinone species at -0.2 V (vs. saturated calomel electrode). The effects of the pH, temperature and applied potential on the biosensor performance were investigated, and experimental conditions were optimized. The biosensor exhibited a linear response to catechol over a wide concentration range from 10 nM to 7 {mu}M, with a high sensitivity of 2.11 x 10{sup 3} {mu}A mM{sup -1} cm{sup -2}, and a limit of detection down to 5 nM (based on S/N = 3). The apparent Michaelis-Menten constants of the enzyme electrode were estimated to be 3.16, 1.31 and 3.52 {mu}M for catechol, phenol and m-cresol, respectively. Moreover, the stability and reproducibility of this biosensor were evaluated with satisfactory results.

  8. Competition between magnetism and superconductivity in Eu-based intermetallic compounds

    Science.gov (United States)

    Stavinoha, Macy; Green, Lance; Chan, Julia; Morosan, Emilia

    Eu-based intermetallic compounds present a path to discover new correlated electronic behavior in quantum materials. Reports of superconductivity, intermediate valence behavior, and heavy fermions indicate that Eu-based compounds are promising routes to study the relationship between crystallography and electronic properties. The present work is focused on EuGa4, an antiferromagnet with TN = 16 K isostructural with the tetragonal RT2M2 (R = rare earth, T = transition metal, M = metal or metalloid) family that exhibits heavy fermion behavior and unconventional superconductivity. Single crystals of the doped series (Eu1-xLax)Ga4, (Eu1-xCax)Ga4, and Eu(Ga1-xAlx)4 have been grown using the self-flux method and tested for change in unit cell volume and magnetic susceptibility. Results show that doping with Ca (isoelectronic doping) and La (hole doping) reduce TN to 12.4 K and 2.3 K, respectively, for Ca doping up to x = 0.11 and La doping up to x = 0.74 without an associated change in unit cell volume. The series Eu(Ga1-xAlx)4 has shown incommensurate-to-commensurate magnetic transitions. Future studies will aim to further decrease TN and the unit cell volume using physical pressure and chemical pressure through doping. ICAM, Gordon and Betty Moore Foundation.

  9. Two 8-Hydroxyquinolinate Based Supramolecular Coordination Compounds: Synthesis, Structures and Spectral Properties

    Directory of Open Access Journals (Sweden)

    Chengfeng Zhu

    2017-03-01

    Full Text Available Two new Cr(III complexes based on 2-substituted 8-hydroxyquinoline ligands, namely [Cr(L13] (1, (HL1=(E-2-[2-(4-nitro-phenyl-vinyl]-8-hydroxy-quinoline and [Cr(L23] (2, (HL2=(E-2-[2-(4-chloro-phenylvinyl]-8-hydroxy-quinoline, were prepared by a facile hydrothermal method and characterized thoroughly by single crystal X-ray diffraction, powder X-ray diffraction, FTIR, TGA, ESI-MS, UV-Visible absorption spectra and fluorescence emission spectra. Single crystal X-ray diffraction analyses showed that the two compounds featured 3D supramolecular architectures constructed from noncovalent interactions, such as π···π stacking, C-H···π, C-H···O, C-Cl···π, C-H···Cl interactions. The thermogravimetric analysis and ESI-MS study of compounds 1 and 2 suggested that the Cr(III complexes possessed good stability both in solid and solution. In addition, the ultraviolet and fluorescence response of the HL1 and HL2 shown marked changes upon their complexation with Cr(III ion, which indicated that the two 8-hydroxyquinolinate based ligand are promising heavy metal chelating agent for Cr3+.

  10. Microstructural evolution and thermal stability of aluminum-cerium-nickel ternary eutectic

    Science.gov (United States)

    Fodran, Eric John

    The engineering community has identified several applications in which the use of a lightweight alloy for elevated temperature service, in substitution for current heavier and more costly alloys, would have a substantial benefit. This need for structural materials to perform at elevated temperatures has driven researchers to develop novel alloys as well as processing routes to manufacture them and obtain optimum microstructures. Previous studies on aluminum based binary eutectic systems have proven that the aluminum alloy system shows promising potential for satisfying this need. This has motivated the investigation of the solidification and thermal stability of the Al-12 wt% Ce-5 wt% Ni ternary eutectic performed in this investigation. The solidification behavior of the Al-Ce-Ni ternary eutectic was conducted via solidification of various compositions at and above the eutectic composition in a copper chill mold, thus allowing the observation of various solidification rates on a single ingot. Directional solidification of the ternary eutectic was also conducted to further study the unique microstructures forms. After casting the ingots were analyzed for the composition of phases in the microstructure via X-ray diffraction, and the distribution of the phases determined by scanning electron microscopy. The solidification of the ternary eutectic was found to occur much like that of a faceted/non-faceted binary couples growth. The thermal stability of the microstructure was also studied. Ternary eutectic microstructures were heat treated at various temperatures for time intervals up to 100 hours. The coupled growth microstructures were found to coarsen at temperature above 400°C, which was associated with a loss in hardness. Coarsening of the microstructures at elevated temperatures was also observed to occur by multiple mechanisms: an Ostwald ripening within the eutectic cell, and an accelerated coarsening at the cell boundaries due to increased diffusion at

  11. Protamine/DNA/Niosome Ternary Nonviral Vectors for Gene Delivery to the Retina: The Role of Protamine.

    Science.gov (United States)

    Puras, G; Martínez-Navarrete, G; Mashal, M; Zárate, J; Agirre, M; Ojeda, E; Grijalvo, S; Eritja, R; Diaz-Tahoces, A; Avilés-Trigueros, M; Fernández, E; Pedraz, J L

    2015-10-05

    The present study aimed to evaluate the incorporation of protamine into niosome/DNA vectors to analyze the potential application of this novel ternary formulation to deliver the pCMS-EGFP plasmid into the rat retina. Binary vectors based on niosome/DNA and ternary vectors based on protamine/DNA/niosomes were prepared and physicochemically characterized. In vitro experiments were performed in ARPE-19 cells. At 1:1:5 protamine/DNA/niosome mass ratio, the resulted ternary vectors had 150 nm size, positive charge, spherical morphology, and condensed, released, and protected the DNA against enzymatic digestion. The presence of protamine in the ternary vectors improved transfection efficiency, cell viability, and DNA condensation. After ocular administration, the EGFP expression was detected in different cell layers of the retina depending on the administration route without any sign of toxicity associated with the formulations. While subretinal administration transfected mainly photoreceptors and retinal pigment epithelial cells at the site of injection, intravitreal administration produced a more uniform distribution of the protein expression through the inner layers of the retina. The protein expression in the retina persisted for at least one month after both administrations. Our study highlights the flattering properties of protamine/DNA/niosome ternary vectors for efficient and safe gene delivery to the rat retina.

  12. Semantic packaging in verb-based compounds in English and Bulgarian

    Directory of Open Access Journals (Sweden)

    Alexandra Bagasheva

    2015-05-01

    Full Text Available Semantic packaging in verb­ based compounds in English and Bulgarian The article contrasts the word­ formation types of (parasynthetic compound nouns and compound verbs in two genetically distantly related but typologically distinct languages Bulgarian and English. While the nature of synthetic compound nouns in both languages is comparable, compound verbs show greater contrasts in terms of types, restrictions and preferences for intra­ compound relations and semantic diversity. An explanation is sought in terms of the influence of word­ relevant syntactic properties on word­ formation phenomena in the two languages. An additional powerful factor is the ubiquity of conversion or syntactic promiscuity in English. A hypothesis is formulated that in Bulgarian the iconicity of word­ formation processes and products associated with the biuniqueness of the sign as understood by Natural Morphology accounts for restrictions on the absolute reign of word­ formation paradigms in Bulgarian, where the distinction between inflectional morphology and word­ formation is more sharply delineated. The typological character of the two languages is ultimately taken into account as a factor which determines the preferences for compounds in English and the prevalence of affixal derivation in Bulgarian.   Kompresja semantyczna w złożeniach czasownikowych w językach bułgarskim i angielskim Autorzy artykułu dokonali porównania mechanizmów słowotwórczych wykorzystywanych przy derywacji (parasyntetycznych złożeń rzeczownikowych oraz czasownikowych w językach bułgarskim i angielskim. Badane języki wykazują dalekie pokrewieństwo genetyczne, lecz z typologicznego punktu widzenia są one od siebie różne. W odróżnieniu od mechanizmów tworzenia syntetycznych złożeń rzeczownikowych, które w obu językach są podobne, złożenia czasownikowe różnią się, jeżeli chodzi o ich typy, ograniczenia użycia oraz preferencje odnośnie relacji

  13. Research of Compound Control for DC Motor System Based on Global Sliding Mode Disturbance Observer

    Directory of Open Access Journals (Sweden)

    He Zhang

    2014-01-01

    Full Text Available Aiming at the problems of modeling errors, parameter variations, and load moment disturbances in DC motor control system, one global sliding mode disturbance observer (GSMDO is proposed based on the global sliding mode (GSM control theory. The output of GSMDO is used as the disturbance compensation in control system, which can improve the robust performance of DC motor control system. Based on the designed GSMDO in inner loop, one compound controller, composed of a feedback controller and a feedforward controller, is proposed in order to realize the position tracking of DC motor system. The gains of feedback controller are obtained by means of linear quadratic regulator (LQR optimal control theory. Simulation results present that the proposed control scheme possesses better tracking properties and stronger robustness against modeling errors, parameter variations, and friction moment disturbances. Moreover, its structure is simple; therefore it is easy to be implemented in engineering.

  14. High-pressure (vapour + liquid) equilibria for ternary systems composed by {(E)-2-hexenal or hexanal + carbon dioxide + water}: Partition coefficient measurement

    International Nuclear Information System (INIS)

    Bejarano, Arturo; López, Pablo I.; Valle, José M. del; Fuente, Juan C. de la

    2015-01-01

    Highlights: • A new apparatus based on a static–analytic method was assembled in this work. • This work reports high-pressure VLE data of (E)-2-hexenal or hexanal + CO 2 + water. • Data includes (CO 2 + water) partition coefficients of (E)-2-hexenal and hexanal. • High separation factors from water (∼10 4 ) were found especially for (E)-2-hexenal. • The data were obtained at T = (313, 323, and 333) K and pressures from (8 to 19) MPa. - Abstract: A new apparatus based on a static–analytic method assembled in this work was utilised to perform high-pressure (vapour + liquid) equilibria measurements of aqueous ternary systems. This work includes values of isothermal partition coefficients between CO 2 and water of two apple aroma constituents, (E)-2-hexenal and hexanal. Additionally, this work reports new experimental (vapour + liquid) equilibria measurements for the ternary systems (CO 2 + (E)-2-hexenal + water) and (CO 2 + hexanal + water), at fixed liquid phase composition (600 mg · kg −1 ), at temperatures of (313, 323 and 333) K and at pressures from (8 to 19) MPa. Vapour liquid interphase was checked and monitored visually for all the systems studied in this work. No liquid immiscibility was observed at the composition, temperatures and pressures studied. In order to suggest reasonable operation conditions for fractionation of aromas with dense carbon dioxide, partition coefficients of the aroma compounds between CO 2 and water along with their separation factors from water were calculated. Partition coefficients of (E)-2-hexenal between CO 2 and water were in the range of (6 to 91) and where found to be near six times higher than those of hexanal (9 to 17). Very high separation factors from water were observed (∼10 4 ) especially for (E)-2-hexenal. The highest separation factor, for both compounds, was found at a temperature of 313 K and pressures from (12 to 14) MPa

  15. Plasmonic spectral tunability of conductive ternary nitrides

    Energy Technology Data Exchange (ETDEWEB)

    Kassavetis, S.; Patsalas, P., E-mail: ppats@physics.auth.gr [Department of Physics, Aristotle University of Thessaloniki, GR-54124 Thessaloniki (Greece); Bellas, D. V.; Lidorikis, E. [Department of Materials Science and Engineering, University of Ioannina, GR-45110 Ioannina (Greece); Abadias, G. [Institut Pprime, Département Physique et Mécanique des Matériaux, Université de Poitiers-CNRS-ENSMA, 86962 Chasseneuil-Futuroscope (France)

    2016-06-27

    Conductive binary transition metal nitrides, such as TiN and ZrN, have emerged as a category of promising alternative plasmonic materials. In this work, we show that ternary transition metal nitrides such as Ti{sub x}Ta{sub 1−x}N, Ti{sub x}Zr{sub 1−x}N, Ti{sub x}Al{sub 1−x}N, and Zr{sub x}Ta{sub 1−x}N share the important plasmonic features with their binary counterparts, while having the additional asset of the exceptional spectral tunability in the entire visible (400–700 nm) and UVA (315–400 nm) spectral ranges depending on their net valence electrons. In particular, we demonstrate that such ternary nitrides can exhibit maximum field enhancement factors comparable with gold in the aforementioned broadband range. We also critically evaluate the structural features that affect the quality factor of the plasmon resonance and we provide rules of thumb for the selection and growth of materials for nitride plasmonics.

  16. CFam: a chemical families database based on iterative selection of functional seeds and seed-directed compound clustering.

    Science.gov (United States)

    Zhang, Cheng; Tao, Lin; Qin, Chu; Zhang, Peng; Chen, Shangying; Zeng, Xian; Xu, Feng; Chen, Zhe; Yang, Sheng Yong; Chen, Yu Zong

    2015-01-01

    Similarity-based clustering and classification of compounds enable the search of drug leads and the structural and chemogenomic studies for facilitating chemical, biomedical, agricultural, material and other industrial applications. A database that organizes compounds into similarity-based as well as scaffold-based and property-based families is useful for facilitating these tasks. CFam Chemical Family database http://bidd2.cse.nus.edu.sg/cfam was developed to hierarchically cluster drugs, bioactive molecules, human metabolites, natural products, patented agents and other molecules into functional families, superfamilies and classes of structurally similar compounds based on the literature-reported high, intermediate and remote similarity measures. The compounds were represented by molecular fingerprint and molecular similarity was measured by Tanimoto coefficient. The functional seeds of CFam families were from hierarchically clustered drugs, bioactive molecules, human metabolites, natural products, patented agents, respectively, which were used to characterize families and cluster compounds into families, superfamilies and classes. CFam currently contains 11,643 classes, 34,880 superfamilies and 87,136 families of 490,279 compounds (1691 approved drugs, 1228 clinical trial drugs, 12,386 investigative drugs, 262,881 highly active molecules, 15,055 human metabolites, 80,255 ZINC-processed natural products and 116,783 patented agents). Efforts will be made to further expand CFam database and add more functional categories and families based on other types of molecular representations. © The Author(s) 2014. Published by Oxford University Press on behalf of Nucleic Acids Research.

  17. Isothermal section of the ternary phase diagram U–Fe–Ge at 900 °C and its new intermetallic phases

    Energy Technology Data Exchange (ETDEWEB)

    Henriques, M.S., E-mail: mish@itn.pt [Institute of Physics, Academy of Sciences of the Czech Republic, Na Slovance 2, 182 21 Prague (Czech Republic); CCTN, IST/CFMCUL, University of Lisbon, Nuclear and Technological Campus, P-2695-066 Bobadela (Portugal); Berthebaud, D.; Lignie, A.; El Sayah, Z.; Moussa, C.; Tougait, O. [Institut des Sciences Chimiques de Rennes, Chimie du Solide et Matériaux, Université Rennes 1, UMR CNRS 6226, 263 Avenue du Général Leclerc, 35042 Rennes (France); Havela, L. [Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, 121 16 Prague (Czech Republic); Gonçalves, A.P. [CCTN, IST/CFMCUL, University of Lisbon, Nuclear and Technological Campus, P-2695-066 Bobadela (Portugal)

    2015-08-05

    Highlights: • Isothermal section of the U–Fe–Ge at 900 °C was investigated. • Ten ternary compounds and four significant solubility ranges were found. • Three new compounds and a solid solution were discovered. - Abstract: The isothermal section at 900 °C of the U–Fe–Ge ternary system was assessed using experimental results from X-ray diffraction and observations by scanning electron microscopy coupled with energy dispersive X-ray spectroscopy chemical analysis. The phase diagram at this temperature is characterized by the formation of fourteen stable phases: four homogeneity ranges and ten intermetallic compounds. Among these, there is an extension of the binary compound UFe{sub 2} into the ternary system (UFe{sub 2−x}Ge{sub x,}x < 0.15), three ternary line compounds, U{sub 2}Fe{sub 17−x}Ge{sub x} (2 < x < 3.7), UFe{sub 1−x}Ge{sub 2} (0.58 < x < 0.78), UFe{sub 6+x}Ge{sub 6−x} (x < 0.7), and ten ternary stoichiometric compounds, U{sub 2}Fe{sub 3}Ge, U{sub 6}Fe{sub 16}Ge{sub 7}, UFe{sub 4}Ge{sub 2}, U{sub 6}Fe{sub 22}Ge{sub 13}, UFeGe, U{sub 3}Fe{sub 4}Ge{sub 4}, UFe{sub 2}Ge{sub 2}, U{sub 34}Fe{sub 3.32}Ge{sub 33}, U{sub 3}Fe{sub 2}Ge{sub 7}, and U{sub 9}Fe{sub 7}Ge{sub 24}.

  18. Nonlinearity, optoelectronic properties, and their correlations for some mixed ternary defect chalcopyrites

    International Nuclear Information System (INIS)

    Roy, S Dutta

    2010-01-01

    The refractive index, optical nonlinearity, lowest energy band gap, and other related parameters of some mixed defect ternary chalcopyrites are calculated using Levine's bond charge model and its modification developed by Samanta et al. for multinary and mixed compounds. The dependence of the band gap energy on the average quantum number, molecular weight, and anion displacement parameter is shown for the first time, which will be very useful for designing various optoelectronic and nonlinear laser devices. (laser applications and other aspects of quantum electronics)

  19. Synthesis and characterization of the ternary telluroargentate K4[Ag18Te11

    KAUST Repository

    Davaasuren, Bambar

    2014-10-19

    The ternary potassium telluroargentate(I), K4[Ag18Te11], was prepared by solvothermal synthesis in ethylenediamine at 160 °C. It crystallizes in the cubic space group Fm3¯ m (no. 225) with the cell parameter a = 18.6589(6) Å. The crystal structure can be described as a [Ag18Te11]4- three-dimensional anionic framework with the voids accommodating potassium cations. Chemical bonding analysis reveals polar covalent Ag-Te bonds and considerable Ag-Ag interactions, which support the complex anionic character of the structure. The compound is thermally stable up to 450 °C in an inert atmosphere.

  20. Novel Protein-Based Solid-Biosensor for Determining Pro-oxidant Activity of Phenolic Compounds.

    Science.gov (United States)

    Akyüz, Esin; Başkan, Kevser Sözgen; Tütem, Esma; Apak, Reşat

    2017-07-19

    To develop a protein-based biosensor measuring the pro-oxidant activities of phenolic compounds, egg white proteins were precipitated with calcium chloride to obtain an insoluble calcium proteinate complex. This biosensor was used for the determination of Cu(II)-induced pro-oxidant activity of antioxidants such as gallic acid, catechin, epicatechin, quercetin, chlorogenic acid and myricetin, and ascorbic acid. This assay involved the reduction of Cu(II) ions to Cu(I) by antioxidant compounds (simultaneously giving rise to reactive oxygen species) and binding of the formed Cu(I) to the solid biosensor. The protein-bound Cu(I), an indicator of pro-oxidant activity of antioxidants on proteins, was colorimetrically determined at 450 nm with neocuproine (Nc). The method was applied to synthetic mixtures and herbal (sage, green tea, mint, and marjoram) infusions, and its findings were compared to those of a modified carbonyl detection assay. This low-cost biosensor can be prepared in large quantities and used for a long time.

  1. Modeling the Detection of Organic and Inorganic Compounds Using Iodide-Based Chemical Ionization.

    Science.gov (United States)

    Iyer, Siddharth; Lopez-Hilfiker, Felipe; Lee, Ben H; Thornton, Joel A; Kurtén, Theo

    2016-02-04

    Iodide-based chemical ionization mass spectrometry (CIMS) has been used to detect and measure concentrations of several atmospherically relevant organic and inorganic compounds. The significant electronegativity of iodide and the strong acidity of hydroiodic acid makes electron transfer and proton abstraction essentially negligible, and the soft nature of the adduct formation ionization technique reduces the chances of sample fragmentation. In addition, iodide has a large negative mass defect, which, when combined with the high resolving power of a high resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS), provides good selectivity. In this work, we use quantum chemical methods to calculate the binding energies, enthalpies and free energies for clusters of an iodide ion with a number of atmospherically relevant organic and inorganic compounds. Systematic configurational sampling of the free molecules and clusters was carried out at the B3LYP/6-31G* level, followed by subsequent calculations at the PBE/SDD and DLPNO-CCSD(T)/def2-QZVPP//PBE/aug-cc-pVTZ-PP levels. The binding energies, enthalpies, and free energies thus obtained were then compared to the iodide-based University of Washington HR-ToF-CIMS (UW-CIMS) instrument sensitivities for these molecules. We observed a reasonably linear relationship between the cluster binding enthalpies and logarithmic instrument sensitivities already at the PBE/SDD level, which indicates that relatively simple quantum chemical methods can predict the sensitivity of an iodide-based CIMS instrument toward most molecules. However, higher level calculations were needed to treat some outlier molecules, most notably oxalic acid and methylerythritol. Our calculations also corroborated the recent experimental findings that the molecules that the UW-CIMS detects at maximum sensitivity usually have binding enthalpies to iodide which are higher than about 26 kcal/mol, depending slightly on the level of theory.

  2. Iron binary and ternary coatings with molybdenum and tungsten

    Energy Technology Data Exchange (ETDEWEB)

    Yar-Mukhamedova, Gulmira, E-mail: gulmira-alma-ata@mail.ru [Institute Experimental and Theoretical Physics Al-Farabi Kazakh National University, 050038, Al-Farabi av., 71, Almaty (Kazakhstan); Ved, Maryna; Sakhnenko, Nikolay; Karakurkchi, Anna; Yermolenko, Iryna [National Technical University “Kharkov Polytechnic Institute”, Kharkov (Ukraine)

    2016-10-15

    Highlights: • High quality coatings of double Fe-Mo and ternary Fe-Mo-W electrolytic alloys can be produced both in a dc and a pulsed mode. • Application of unipolar pulsed current allows receiving an increased content of the alloying components and their more uniform distribution over the surface. • It is established that Fe-Mo and Fe-Mo-W coatings have an amorphous structure and exhibit improved corrosion resistance and microhardness as compared with the steel substrate due to the inclusion molybdenum and tungsten. - Abstract: Electrodeposition of Fe-Mo-W and Fe-Mo layers from a citrate solution containing iron(III) on steel and iron substrates is compared. The utilization of iron(III) compounds significantly improved the electrolyte stability eliminating side anodic redox reactions. The influence of concentration ratios and electrodeposition mode on quality, chemical composition, and functional properties of the alloys is determined. It has been found that alloys deposited in pulse mode have more uniform surface morphology and chemical composition and contain less impurities. Improvement in physical and mechanical properties as well as corrosion resistance of Fe-Mo and Fe-Mo-W deposits when compared with main alloy forming metals is driven by alloying components chemical passivity as well as by alloys amorphous structure. Indicated deposits can be considered promising materials in surface hardening technologies and repair of worn out items.

  3. The isothermal section (500 C) of the Gd-Cu-Ni ternary phase diagram

    Energy Technology Data Exchange (ETDEWEB)

    Zhou Huaiying [Guangxi Univ., Nanning (China). Mater. Sci. Inst.; Zhuang Yinghong [Guangxi Univ., Nanning (China). Mater. Sci. Inst.; Gu Zhengfei [Guilin Electrical Equipment Scientific Research Institute, Guilin (China)

    1995-04-15

    The isothermal section (500 C) of the Gd-Cu-Ni ([Gd]{<=}33.3 at.%) ternary phase diagram was determined using differential thermal analysis, optical microscopy, X-ray diffraction and electron microprobe techniques. This partial isothermal section consists of 12 single-phase regions, 24 two-phase regions and 12 three-phase regions. The 12 single-phase regions include one ternary compound (Gd(Cu{sub 1-x}Ni{sub x}){sub 3}, x=0.2-0.46), four Gd-Cu compounds (GdCu{sub 2}, Gd{sub 2}Cu{sub 9}, GdCu{sub 5}, GdCu{sub 6}), six Gd-Ni compounds (GdNi{sub 2}, GdNi{sub 3}, Gd{sub 2}Ni{sub 7}, GdNi{sub 4}, GdNi{sub 5}, Gd{sub 2}Ni{sub 17}) and the {alpha}-(Cu,Ni) solid solution. ((orig.))

  4. Hydrodesulfurization catalysis by Chevrel phase compounds

    Science.gov (United States)

    McCarty, Kevin F.; Schrader, Glenn L.

    1985-12-24

    A process is disclosed for the hydrodesulfurization of sulfur-containing hydrocarbon fuel with reduced ternary molybdenum sulfides, known as Chevrel phase compounds. Chevrel phase compounds of the general composition M.sub.x Mo.sub.6 S.sub.8, with M being Ho, Pb, Sn, Ag, In, Cu, Fe, Ni, or Co, were found to have hydrodesulfurization activities comparable to model unpromoted and cobalt-promoted MoS.sub.2 catalysts. The most active catalysts were the "large" cation compounds (Ho, Pb, Sn), and the least active catalysts were the "small" cation compounds (Cu, Fe, Ni, Co.).

  5. Rescuing compound bioactivity in a secondary cell-based screening by using γ-cyclodextrin as a molecular carrier

    Science.gov (United States)

    Claveria-Gimeno, Rafael; Vega, Sonia; Grazu, Valeria; de la Fuente, Jesús M; Lanas, Angel; Velazquez-Campoy, Adrian; Abian, Olga

    2015-01-01

    In vitro primary screening for identifying bioactive compounds (inhibitors, activators or pharmacological chaperones) against a protein target results in the discovery of lead compounds that must be tested in cell-based efficacy secondary screenings. Very often lead compounds do not succeed because of an apparent low potency in cell assays, despite an excellent performance in primary screening. Primary and secondary screenings differ significantly according to the conditions and challenges the compounds must overcome in order to interact with their intended target. Cellular internalization and intracellular metabolism are some of the difficulties the compounds must confront and different strategies can be envisaged for minimizing that problem. Using a novel screening procedure we have identified 15 compounds inhibiting the hepatitis C NS3 protease in an allosteric fashion. After characterizing biophysically the interaction with the target, some of the compounds were not able to inhibit viral replication in cell assays. In order to overcome this obstacle and potentially improve cellular internalization three of these compounds were complexed with γ-cyclodextrin. Two of them showed a five- and 16-fold activity increase, compared to their activity when delivered as free compounds in solution (while γ-cyclodextrin did not show antiviral activity by itself). The most remarkable result came from a third compound that showed no antiviral activity in cell assays when delivered free in solution, but its γ-cyclodextrin complex exhibited a 50% effective concentration of 5 μM. Thus, the antiviral activity of these compounds can be significantly improved, even completely rescued, using γ-cyclodextrin as carrier molecule. PMID:25834436

  6. Ternary nitrides for hydrogen storage: Li-B-N, Li-Al-N and Li-Ga-N systems

    International Nuclear Information System (INIS)

    Langmi, Henrietta W.; McGrady, G. Sean

    2008-01-01

    This paper reports an investigation of hydrogen storage performance of ternary nitrides based on lithium and the Group 13 elements boron, aluminum and gallium. These were prepared by ball milling Li 3 N together with the appropriate Group 13 nitride-BN, AlN or GaN. Powder X-ray diffraction of the products revealed that the ternary nitrides obtained are not the known Li 3 BN 2 , Li 3 AlN 2 and Li 3 GaN 2 phases. At 260 deg. C and 30 bar hydrogen pressure, the Li-Al-N ternary system initially absorbed 3.7 wt.% hydrogen, although this is not fully reversible. We observed, for the first time, hydrogen uptake by a pristine ternary nitride of Li and Al synthesized from the binary nitrides of the metals. While the Li-Ga-N ternary system also stored a significant amount of hydrogen, the storage capacity for the Li-B-N system was near zero. The hydrogenation reaction is believed to be similar to that of Li 3 N, and the enthalpies of hydrogen absorption for Li-Al-N and Li-Ga-N provide evidence that AlN and GaN, as well as the ball milling process, play a significant role in altering the thermodynamics of Li 3 N

  7. Transcriptomics analysis of interactive effects of benzene, trichloroethylene and methyl mercury within binary and ternary mixtures on the liver and kidney following subchronic exposure in the rat

    International Nuclear Information System (INIS)

    Hendriksen, Peter J.M.; Freidig, Andreas P.; Jonker, Diana; Thissen, Uwe; Bogaards, Jan J.P.; Mumtaz, Moiz M.; Groten, John P.; Stierum, Rob H.

    2007-01-01

    The present research aimed to study the interaction of three chemicals, methyl mercury, benzene and trichloroethylene, on mRNA expression alterations in rat liver and kidney measured by microarray analysis. These compounds were selected based on presumed different modes of action. The chemicals were administered daily for 14 days at the Lowest-Observed-Adverse-Effect-Level (LOAEL) or at a two- or threefold lower concentration individually or in binary or ternary mixtures. The compounds had strong antagonistic effects on each other's gene expression changes, which included several genes encoding Phase I and II metabolizing enzymes. On the other hand, the mixtures affected the expression of 'novel' genes that were not or little affected by the individual compounds. The three compounds exhibited a synergistic interaction on gene expression changes at the LOAEL in the liver and both at the sub-LOAEL and LOAEL in the kidney. Many of the genes induced by mixtures but not by single compounds, such as Id2, Nr2f6, Tnfrsf1a, Ccng1, Mdm2 and Nfkb1 in the liver, are known to affect cellular proliferation, apoptosis and tissue-specific function. This indicates a shift from compound specific response on exposure to individual compounds to a more generic stress response to mixtures. Most of the effects on cell viability as concluded from transcriptomics were not detected by classical toxicological endpoints illustrating the benefit of increased sensitivity of assessing gene expression profiling. These results emphasize the benefit of applying toxicogenomics in mixture interaction studies, which yields biomarkers for joint toxicity and eventually can result in an interaction model for most known toxicants

  8. Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - I. A ternary Bragg-Williams ordering model

    Science.gov (United States)

    McSwiggen, P.L.

    1993-01-01

    The minerals of the ternary carbonate system CaCO3 - MgCO3 - FeCO3 represent a complex series of solid solutions and ordering states. An understanding of those complexities requires a solution model that can both duplicate the subsolidus phase relationships and generate correct values for the activities. Such a solution model must account for the changes in the total energy of the system resulting from a change in the ordering state of the individual constituents. Various ordering models have been applied to binary carbonate systems, but no attempts have previously been made to model the ordering in the ternary system. This study derives a new set of equations that allow for the equilibrium degree of order to be calculated for a system involving three cations mixing on two sites, as in the case of the ternary carbonates. The method is based on the Bragg-Williams approach. From the degree of order, the mole fractions of the three cations in each of the two sites can be determined. Once the site occupancies have been established, a Margules-type mixing model can be used to determine the free energy of mixing in the solid solution and therefore the activities of the various components. ?? 1993 Springer-Verlag.

  9. Synthesis, characterization, X-ray crystal structures of heterocyclic Schiff base compounds and in vitro cholinesterase inhibition and anticancer activity

    Science.gov (United States)

    Arafath, Md. Azharul; Adam, Farook; Al-Suede, Fouad Saleih R.; Razali, Mohd R.; Ahamed, Mohamed B. Khadeer; Abdul Majid, Amin Malik Shah; Hassan, Mohd Zaheen; Osman, Hasnah; Abubakar, Saifullah

    2017-12-01

    Four heterocyclic embedded Schiff base derivatives (1-4) were synthesized and characterized by melting point, elemental analysis, FTIR, 1H, 13C NMR, UV-Visible spectral data. The structures of compounds 1, 2 and 4 were successfully established through single crystal X-ray diffraction analysis. In vitro cholinesterase inhibition assays showed that the cyclized derivative 1 displayed higher BuChE enzyme inhibitory activity with IC50 value of 1.45 ± 0.09 μM. The anti-proliferative efficacies of the compounds were also evaluated using human colorectal HCT 116 and breast MCF-7 adenocarcinoma cell lines. In addition, a human normal endothelial cell line (Ea.hy926) was also tested to assess the safety and selectivity of the compounds towards normal and cancer cells, respectively. Among the compounds tested, compound 2 displayed potent cytotoxic effect (IC50 = 34 μM) against HCT 116 cells with highest selectivity index of 3.1 with respect to the normal endothelial cells. Whereas, compound 4 exhibited significant anti-proliferative effect (IC50 = 21.1 μM) against MCF-7 cells with highest selectivity index of 3.3 with respect to the normal endothelial cells. The docking result of these compounds against hAChE showed potent activities with different binding modes. These compounds could be a promising pharmacological agent to treat cancer and Alzheimer's disease.

  10. Carbazole-based emitting compounds: Synthesis, photophysical properties and formation of nanoparticles

    Science.gov (United States)

    Adhikari, Ravi M.

    Carbazole is a heterocyclic tricyclic aromatic organic compound consisting of two six-membered benzene rings fused on either side of a five-membered nitrogen-containing ring. A large number of carbazole derivatives have been designed and synthesized and organic electronic devices based on these derivatives such as organic light emitting diodes (OLEDs), have been investigated. Ever since Tang and VanSlyke constructed electroluminescent (EL) devices using organic materials as emitters, development of efficient and stable EL materials has taken good momentum. Carbazole derivatives are widely used as materials for EL and hole-transporting layers of OLEDs which use their high charge mobility. The optical and electrical properties of carbazoles are affected by substitution on the 2-, 3-, 6-, 7- and 9H-positions. Many carbazole derivatives have sufficiently high triplet energy to make them an efficient host where they can serve as red, green, or blue triplet emitters. Highly fluorescent and stable carbazole-based compounds were synthesized and characterized. Substitution of carbazoles at 3- and 6-position by tert-butyl group enhanced the solubility. They showed high extinction coefficients of absorption (Amax ≈ 328-353 nm) and quantum yields of fluorescence (lambdamax ≈ 386-437 nm; phiF ≈ 0.72-0.89; tauF ≈ 2.09-3.91 ns) in dichloromethane. The quantum yields of fluorescence of these compounds in the solid state were also high (lambdamax ≈ 385-422 nm; phiF ≈ 0.40-0.85). Simple synthetic procedures were developed to prepare other stable carbazoles. These compounds emit blue, green, and orange-red light. The red-shifted emission in the solid state which can be as much as 120nm relative to that in solution is highly dependent on the nature and positions of the substituents. The presence of a carbaldehyde or malononitrile on the carbazole moiety quenches fluorescence severely in solution and in the solid state. However, the effect is not the same for the

  11. Experimental investigation of the U–Zr–Al ternary phase diagram: Isothermal sections at 673 K and 1073 K

    Energy Technology Data Exchange (ETDEWEB)

    Moussa, C.; Désévédavy, F.; Noël, H.; Pasturel, M.; Gouttefangeas, F. [ISCR/CSM, Université de Rennes1, UMR-CNRS 6226, Campus de Beaulieu, 263 Avenue du Général Leclerc, 35042 Rennes Cedex, France, (France); Dubois, S. [CEA/DEN/DEC, Cadarache, 13108 St. Paul Lez Durance (France); Stepnik, B. [AREVA/CERCA, 10 Rue Juliette Récamier, 69006 Lyon (France); Tougait, O., E-mail: tougait@univ-rennes1.fr [ISCR/CSM, Université de Rennes1, UMR-CNRS 6226, Campus de Beaulieu, 263 Avenue du Général Leclerc, 35042 Rennes Cedex, France, (France); UCCS, UMR 8181 CNRS, Université Lille 1, ENSCL, Avenue Mendeleiev, 59655 Villeneuve d’Ascq Cedex (France)

    2015-06-15

    Highlights: • Isothermal sections of the U–Zr–Al system were investigated for 673 K and 1073 K. • The crystallographic properties of the equilibrium phases were checked. • The ternary extension of both unary and binary phases was determined. • The solubility of Al into UZr{sub 2} (δ-phase) was assessed by diffusion couples. • The microstructure of quenched alloys is discussed. - Abstract: Isothermal sections at 673 K and 1073 K of the ternary U–Zr–Al system were established in the whole concentration range, by means of powder X-ray diffraction, scanning electron microscopy–energy dispersive X-ray spectroscopy and differential thermal analysis. All measured compositions and unit-cell refinements were performed at room temperature from quenched samples annealed at 1073 K and 673 K for four and eight weeks respectively. For both temperatures, the Al-rich corner of the phase diagram is characterized by extended homogeneity ranges due to mutual exchange between U and Zr in UAl{sub 3} (cubic, AuCu{sub 3}-type) and in the Laves phase UAl{sub 2} (cubic, MgCu{sub 2}-type). Minute U solubility in ZrAl{sub 2} (hexagonal, MgZn{sub 2}-type) and in Zr{sub 2}Al (hexagonal, Ni{sub 2}In-type) was evaluated to be of the order of 1 at.% U. For the other binary compounds, the solubility of the third component was found negligible. At 1073 K, the solid solution based on γU (cubic, W-type) which covers the U–Zr binary axis up to 95.5 at.% Zr, allows also some limited solubility of Al [maximum of 5 at.%]. For Al-content below 66 at.%, most of the phase relations comprise equilibria between the Zr–Al binaries and the γ(U,Zr,Al) solid solution. At 673 K, the U–Zr axis is found in agreement with the literature data and no Al solubility could be detected in αU, αZr and UZr{sub 2} (δ phase). The phase relations are mainly established between Zr–Al binaries and αU. For monolithic UMo fuel with a Zr diffusion barrier foil cladded with Al, the main interaction

  12. Experimental investigation of the U–Zr–Al ternary phase diagram: Isothermal sections at 673 K and 1073 K

    International Nuclear Information System (INIS)

    Moussa, C.; Désévédavy, F.; Noël, H.; Pasturel, M.; Gouttefangeas, F.; Dubois, S.; Stepnik, B.; Tougait, O.

    2015-01-01

    Highlights: • Isothermal sections of the U–Zr–Al system were investigated for 673 K and 1073 K. • The crystallographic properties of the equilibrium phases were checked. • The ternary extension of both unary and binary phases was determined. • The solubility of Al into UZr 2 (δ-phase) was assessed by diffusion couples. • The microstructure of quenched alloys is discussed. - Abstract: Isothermal sections at 673 K and 1073 K of the ternary U–Zr–Al system were established in the whole concentration range, by means of powder X-ray diffraction, scanning electron microscopy–energy dispersive X-ray spectroscopy and differential thermal analysis. All measured compositions and unit-cell refinements were performed at room temperature from quenched samples annealed at 1073 K and 673 K for four and eight weeks respectively. For both temperatures, the Al-rich corner of the phase diagram is characterized by extended homogeneity ranges due to mutual exchange between U and Zr in UAl 3 (cubic, AuCu 3 -type) and in the Laves phase UAl 2 (cubic, MgCu 2 -type). Minute U solubility in ZrAl 2 (hexagonal, MgZn 2 -type) and in Zr 2 Al (hexagonal, Ni 2 In-type) was evaluated to be of the order of 1 at.% U. For the other binary compounds, the solubility of the third component was found negligible. At 1073 K, the solid solution based on γU (cubic, W-type) which covers the U–Zr binary axis up to 95.5 at.% Zr, allows also some limited solubility of Al [maximum of 5 at.%]. For Al-content below 66 at.%, most of the phase relations comprise equilibria between the Zr–Al binaries and the γ(U,Zr,Al) solid solution. At 673 K, the U–Zr axis is found in agreement with the literature data and no Al solubility could be detected in αU, αZr and UZr 2 (δ phase). The phase relations are mainly established between Zr–Al binaries and αU. For monolithic UMo fuel with a Zr diffusion barrier foil cladded with Al, the main interaction product is expected to involve the U-based

  13. Strength and durability of concrete modified by sulfur-based impregnating compounds

    Directory of Open Access Journals (Sweden)

    MASSALIMOV Ismail Alexandrovich

    2015-06-01

    Full Text Available The aim of the research was to determine how sulfur-containing compound impregnation influences on concrete compressive strength and the impact resistance of concrete tiles. The results of these studies indicate that impregnation of vibropressed concrete paving tiles and concrete samples of dif-ferent strength classes with aqueous solutions based on calcium polysulfide leads to a significant increase of compressive strength and impact resistance. These data show that the strength of the products can be controlled by varying duration and frequency of the impregnation and by using pre-vacuum method. Impregnation with a solution of calcium polysulfide density of 1,23 g/cm³ can be recommended to increase strength of concrete products that are exposed to intense hydration and mechanical stress.

  14. Polymer optical fiber compound parabolic concentrator tip for enhanced coupling efficiency for fluorescence based glucose sensors

    DEFF Research Database (Denmark)

    Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Søren

    2015-01-01

    We demonstrate that the light excitation and capturing efficiency of fluorescence based fiber-optical sensors can be significantly increased by using a CPC (Compound Parabolic Concentrator) tip instead of the standard plane-cut tip. We use Zemax modelling to find the optimum CPC tip profile...... and fiber length of a polymer optical fiber diabetes sensor for continuous monitoring of glucose levels. We experimentally verify the improved performance of the CPC tipped sensor and the predicted production tolerances. Due to physical size requirements when the sensor has to be inserted into the body...... a non-optimal fiber length of 35 mm is chosen. For this length an average improvement in efficiency of a factor of 1.7 is experimentally demonstrated and critically compared to the predicted ideal factor of 3 in terms of parameters that should be improved through production optimization....

  15. Stochastic Interest Model Based on Compound Poisson Process and Applications in Actuarial Science

    Directory of Open Access Journals (Sweden)

    Shilong Li

    2017-01-01

    Full Text Available Considering stochastic behavior of interest rates in financial market, we construct a new class of interest models based on compound Poisson process. Different from the references, this paper describes the randomness of interest rates by modeling the force of interest with Poisson random jumps directly. To solve the problem in calculation of accumulated interest force function, one important integral technique is employed. And a conception called the critical value is introduced to investigate the validity condition of this new model. We also discuss actuarial present values of several life annuities under this new interest model. Simulations are done to illustrate the theoretical results and the effect of parameters in interest model on actuarial present values is also analyzed.

  16. Polymer optical fiber compound parabolic concentrator tip for enhanced coupling efficiency for fluorescence based glucose sensors.

    Science.gov (United States)

    Hassan, Hafeez Ul; Nielsen, Kristian; Aasmul, Soren; Bang, Ole

    2015-12-01

    We demonstrate that the light excitation and capturing efficiency of fluorescence based fiber-optical sensors can be significantly increased by using a CPC (Compound Parabolic Concentrator) tip instead of the standard plane-cut tip. We use Zemax modelling to find the optimum CPC tip profile and fiber length of a polymer optical fiber diabetes sensor for continuous monitoring of glucose levels. We experimentally verify the improved performance of the CPC tipped sensor and the predicted production tolerances. Due to physical size requirements when the sensor has to be inserted into the body a non-optimal fiber length of 35 mm is chosen. For this length an average improvement in efficiency of a factor of 1.7 is experimentally demonstrated and critically compared to the predicted ideal factor of 3 in terms of parameters that should be improved through production optimization.

  17. Determination of the valence in Sm-based filled skutterudite compounds

    International Nuclear Information System (INIS)

    Mizumaki, M.; Tsutsui, S.; Tanida, H.; Uruga, T.; Kikuchi, D.; Sugawara, H.; Sato, H.

    2006-01-01

    We have measured XAS spectra at Sm L 3 -edge in four Sm-based filled skutterudite compounds. The only XAS spectrum of SmOs 4 Sb 12 around the Sm L 3 -edge exhibit a double peak structure that is the characteristic feature of the mixed valence system due to Sm 2+ and Sm 3+ states whereas those of others exhibit a single peak structure characteristic in Sm 3+ systems. The average valence of Sm ions in SmOs 4 Sb 12 was 2.83. We conclude that the presence of a non-magnetic Sm 2+ state correlates with the unusual heavy fermion state in SmOs 4 Sb 12

  18. Fluorescent deep-blue and hybrid white emitting devices based on a naphthalene-benzofuran compound

    KAUST Repository

    Yang, Xiaohui

    2013-08-01

    We report the synthesis, photophysics and electrochemical properties of naphthalene-benzofuran compound 1 and its application in organic light emitting devices. Fluorescent deep-blue emitting devices employing 1 as the emitting dopant embedded in 4-4′-bis(9-carbazolyl)-2,2′-biphenyl (CBP) host show the peak external quantum efficiency of 4.5% and Commission Internationale d\\'Énclairage (CIE) coordinates of (0.15, 0.07). Hybrid white devices using fluorescent blue emitting layer with 1 and a phosphorescent orange emitting layer based on an iridium-complex show the peak external quantum efficiency above 10% and CIE coordinates of (0.31, 0.37). © 2013 Published by Elsevier B.V.

  19. Thermodynamic and transport properties of plasmas including silicon-based compounds

    Science.gov (United States)

    Colonna, G.; D’Angola, A.; Pietanza, L. D.; Capitelli, M.; Pirani, F.; Stevanato, E.; Laricchiuta, A.

    2018-01-01

    The characterization of the thermodynamic and transport properties of plasmas including silicon species could be of great interest for the investigation of many different systems containing the product of the ablation of silicon-based materials. Different plasma systems (pure silicon, silicon–argon, silicon dioxide and silicon carbide) have been investigated in a wide temperature range (103–4 104 K) and for different pressures (1, 10, 30 and 100 atm), relying on the construction of accurate and extended databases of internal energy levels and binary-interaction transport cross sections for the silicon compounds. The results have been compared with the available results in the literature also studying the dependence on the ratio of components.

  20. Binding thermodynamics discriminates fragments from druglike compounds: a thermodynamic description of fragment-based drug discovery.

    Science.gov (United States)

    Williams, Glyn; Ferenczy, György G; Ulander, Johan; Keserű, György M

    2017-04-01

    Small is beautiful - reducing the size and complexity of chemical starting points for drug design allows better sampling of chemical space, reveals the most energetically important interactions within protein-binding sites and can lead to improvements in the physicochemical properties of the final drug. The impact of fragment-based drug discovery (FBDD) on recent drug discovery projects and our improved knowledge of the structural and thermodynamic details of ligand binding has prompted us to explore the relationships between ligand-binding thermodynamics and FBDD. Information on binding thermodynamics can give insights into the contributions to protein-ligand interactions and could therefore be used to prioritise compounds with a high degree of specificity in forming key interactions. Copyright © 2016 Elsevier Ltd. All rights reserved.

  1. Reduced ternary molybdenum and tungsten sulfides and hydroprocessing catalysis therewith

    Science.gov (United States)

    Hilsenbeck, S.J.; McCarley, R.E.; Schrader, G.L.; Xie, X.B.

    1999-02-16

    New amorphous molybdenum/tungsten sulfides with the general formula M{sup n+}{sub 2x/n}(L{sub 6}S{sub 8})S{sub x}, where L is molybdenum or tungsten and M is a ternary metal, has been developed. Characterization of these amorphous materials by chemical and spectroscopic methods (IR, Raman, PES) shows that the (M{sub 6}S{sub 8}){sup 0} cluster units are present. Vacuum thermolysis of the amorphous Na{sub 2x}(Mo{sub 6}S{sub 8})S{sub x}{hor_ellipsis}yMeOH first produces poorly crystalline NaMo{sub 6}S{sub 8} by disproportionation at 800 C and well-crystallized NaMo{sub 6}S{sub 8} at {>=} 900 C. Ion-exchange of the sodium material in methanol with soluble M{sup 2+} and M{sup 3+} salts (M=Sn, Co, Ni, Pb, La, Ho) produces the M{sup n+}{sub 2x/n}(Mo{sub 6}S{sub 8})S{sub x}{hor_ellipsis}yMeOH compounds. Additionally, the new reduced ternary molybdenum sulfides with the general formula M{sup n+}{sub 2x/n}Mo{sub 6}S{sub 8+x}(MeOH){sub y}[MMOS] (M=Sn, Co, Ni) is an effective hydrodesulfurization (HDS) catalyst both as-prepared and after a variety of pretreatment conditions. Under specified pretreatment conditions with flowing hydrogen gas, the SnMoS type catalyst can be stabilized, and while still amorphous, can be considered as ``Chevrel phase-like`` in that both contain Mo{sub 6}S{sub 8} cluster units. Furthermore, the small cation NiMoS and CoMoS type pretreated catalyst is shown to be very active HDS catalysts with rates that exceeded the model unpromoted and cobalt-promoted MoS{sub 2} catalysts. 9 figs.

  2. [Construction of Three-Dimensional Isobologram for Ternary Pollutant Mixtures].

    Science.gov (United States)

    2015-12-01

    Tongji University, Shanghai 200092, China) Isobolographic analysis was widely used in the interaction assessment of binary mixtures. However, how to construct a three-dimensional (3D) isobologram for the assessment of toxicity interaction within ternary mixtures is still not reported up to date. The main purpose of this paper is to develop a 3D isobologram where the relative concentrations of three components are acted as three coordinate axes in 3D space to examine the toxicity interaction within ternary mixtures. Taking six commonly used pesticides in China, including three herbicides (2, 4-D, desmetryne and simetryn) and three insecticides ( dimethoate, imidacloprid and propoxur) as the mixture components, the uniform design ray procedure (UD-Ray) was used to rationally design the concentration composition of various components in the ternary mixtures so that effectively and comprehensively reflected the variety of actual environmental concentrations. The luminescent inhibition toxicities of single pesticides and their ternary mixtures to Vibrio fischeri at various concentration levels were determined by the microplate toxicity analysis. Selecting concentration addition (CA) as the addition reference, 3D isobolograms were constructed to study the toxicity interactions of various ternary mixtures. The results showed that the 3D isobologram could clearly and directly exhibit the toxicity interactions of ternary mixtures, and extend the use of isobolographic analysis into the ternary mixtures.

  3. Nanomaterial-Based Sensing and Biosensing of Phenolic Compounds and Related Antioxidant Capacity in Food.

    Science.gov (United States)

    Della Pelle, Flavio; Compagnone, Dario

    2018-02-04

    Polyphenolic compounds (PCs) have received exceptional attention at the end of the past millennium and as much at the beginning of the new one. Undoubtedly, these compounds in foodstuffs provide added value for their well-known health benefits, for their technological role and also marketing. Many efforts have been made to provide simple, effective and user friendly analytical methods for the determination and antioxidant capacity (AOC) evaluation of food polyphenols. In a parallel track, over the last twenty years, nanomaterials (NMs) have made their entry in the analytical chemistry domain; NMs have, in fact, opened new paths for the development of analytical methods with the common aim to improve analytical performance and sustainability, becoming new tools in quality assurance of food and beverages. The aim of this review is to provide information on the most recent developments of new NMs-based tools and strategies for total polyphenols (TP) determination and AOC evaluation in food. In this review optical, electrochemical and bioelectrochemical approaches have been reviewed. The use of nanoparticles, quantum dots, carbon nanomaterials and hybrid materials for the detection of polyphenols is the main subject of the works reported. However, particular attention has been paid to the success of the application in real samples, in addition to the NMs. In particular, the discussion has been focused on methods/devices presenting, in the opinion of the authors, clear advancement in the fields, in terms of simplicity, rapidity and usability. This review aims to demonstrate how the NM-based approaches represent valid alternatives to classical methods for polyphenols analysis, and are mature to be integrated for the rapid quality assessment of food quality in lab or directly in the field.

  4. Nanomaterial-Based Sensing and Biosensing of Phenolic Compounds and Related Antioxidant Capacity in Food

    Directory of Open Access Journals (Sweden)

    Flavio Della Pelle

    2018-02-01

    Full Text Available Polyphenolic compounds (PCs have received exceptional attention at the end of the past millennium and as much at the beginning of the new one. Undoubtedly, these compounds in foodstuffs provide added value for their well-known health benefits, for their technological role and also marketing. Many efforts have been made to provide simple, effective and user friendly analytical methods for the determination and antioxidant capacity (AOC evaluation of food polyphenols. In a parallel track, over the last twenty years, nanomaterials (NMs have made their entry in the analytical chemistry domain; NMs have, in fact, opened new paths for the development of analytical methods with the common aim to improve analytical performance and sustainability, becoming new tools in quality assurance of food and beverages. The aim of this review is to provide information on the most recent developments of new NMs-based tools and strategies for total polyphenols (TP determination and AOC evaluation in food. In this review optical, electrochemical and bioelectrochemical approaches have been reviewed. The use of nanoparticles, quantum dots, carbon nanomaterials and hybrid materials for the detection of polyphenols is the main subject of the works reported. However, particular attention has been paid to the success of the application in real samples, in addition to the NMs. In particular, the discussion has been focused on methods/devices presenting, in the opinion of the authors, clear advancement in the fields, in terms of simplicity, rapidity and usability. This review aims to demonstrate how the NM-based approaches represent valid alternatives to classical methods for polyphenols analysis, and are mature to be integrated for the rapid quality assessment of food quality in lab or directly in the field.

  5. EuroFIR-BASIS - a combined composition and biological activity database for bioactive compounds in plant-based foods

    DEFF Research Database (Denmark)

    Gry, Jørn; Black, Lucinda; Eriksen, Folmer Damsted

    2007-01-01

    Mounting evidence suggests that certain non-nutrient bioactive compounds promote optimal human health and reduce the risk of chronic disease. An Internet-deployed database, EuroFIR-BASIS, which uniquely combines food composition and biological effects data for plant-based bioactive compounds......, is being developed. The database covers multiple compound classes and 330 major food plants and their edible parts with data sourced from quality-assessed, peer-reviewed literature. The database will be a valuable resource for food regulatory and advisory bodies, risk authorities, epidemiologists...... and researchers interested in diet and health relationships, and product developers within the food industry....

  6. Formation mechanism of the low-frequency locally resonant band gap in the two-dimensional ternary phononic crystals

    Science.gov (United States)

    Wang, Gang; Liu, Yao-Zong; Wen, Ji-Hong; Yu, Dian-Long

    2006-02-01

    The low-frequency band gap and the corresponding vibration modes in two-dimensional ternary locally resonant phononic crystals are restudied successfully with the lumped-mass method. Compared with the work of C. Goffaux and J. Sánchez-Dehesa (Phys. Rev. B 67 14 4301(2003)), it is shown that there exists an error of about 50% in their calculated results of the band structure and one band is missing in their results. Moreover, the in-plane modes shown in their paper are improper, which results in the wrong conclusion on the mechanism of the ternary locally resonant phononic crystals. Based on the lumped-mass method and better description of the vibration modes according to the band gaps, the locally resonant mechanism in forming the subfrequency gaps is thoroughly analysed. The rule used to judge whether a resonant mode in the phononic crystals can result in a corresponding subfrequency gap is also verified in this ternary case.

  7. Ternary phosphates of rubidium-cesium-rare earth element

    International Nuclear Information System (INIS)

    Mel'nikov, P.P.; Carrillo-Eredero, H.D.; Efremov, V.A.; Komissarova, L.N.; Quiroga, E.

    1986-01-01

    This article examines the possibility of the existence of ternary phosphates of the rare earth elements (REE) containing two large alkali cations in order to establish the morphological and physicochemical characteristics in the entire group of ternary REE phosphates. The synthesis of the ternary rubidium-cesium-REE phosphates was carried out with molten charges that did not contain an excess of components. Analysis for the uncommon alkali cations was done by the atomic absorption technique; for holmium, by complexometric titration; and for phosphorus, by gravimetry as NH 4 CdPO 4 . The data obtained fully confirm the composition of Rb 2 CsLn(PO 4 ) 2

  8. A Three-dimensional Topological Model of Ternary Phase Diagram

    International Nuclear Information System (INIS)

    Mu, Yingxue; Bao, Hong

    2017-01-01

    In order to obtain a visualization of the complex internal structure of ternary phase diagram, the paper realized a three-dimensional topology model of ternary phase diagram with the designed data structure and improved algorithm, under the guidance of relevant theories of computer graphics. The purpose of the model is mainly to analyze the relationship between each phase region of a ternary phase diagram. The model not only obtain isothermal section graph at any temperature, but also extract a particular phase region in which users are interested. (paper)

  9. Can Time Reversal be tested in ternary fission?

    International Nuclear Information System (INIS)

    Goennenwein, F.; Jesinger, P.; Koetzle, A.; Mutterer, M.; Kalben, J. von; Trzaska, W.H.; Petrov, G.A.; Gagarski, A.M.; Danilyan, G.; Pavlov, V.S.; Nesvizhevsky, V.; Zimmer, O.

    2000-01-01

    Ternary fission of 233 U and 235 U induced by cold polarized neutrons has been investigated. Several correlations between neutron spin and the momenta of fission fragments and ternary particles were analyzed. These correlations are probing time reversal invariance, parity non-conservation and left-right asymmetries. Results for all three correlations from the reaction 233 U(n,f) are presented. Especially the outcome in the searches for time reversal correlations and left-right asymmetries is unexpected. A huge effect observed formally as a violation of time reversal is most probably simulated by specific properties of the emission mechanism for ternary particles

  10. Facile Synthesis of Ternary Boron Carbonitride Nanotubes

    Directory of Open Access Journals (Sweden)

    Luo Lijie

    2009-01-01

    Full Text Available Abstract In this study, a novel and facile approach for the synthesis of ternary boron carbonitride (B–C–N nanotubes was reported. Growth occurred by heating simple starting materials of boron powder, zinc oxide powder, and ethanol absolute at 1150 °C under a mixture gas flow of nitrogen and hydrogen. As substrate, commercial stainless steel foil with a typical thickness of 0.05 mm played an additional role of catalyst during the growth of nanotubes. The nanotubes were characterized by SEM, TEM, EDX, and EELS. The results indicate that the synthesized B–C–N nanotubes exhibit a bamboo-like morphology and B, C, and N elements are homogeneously distributed in the nanotubes. A catalyzed vapor–liquid–solid (VLS mechanism was proposed for the growth of the nanotubes.

  11. In silico tools used for compound selection during target-based drug discovery and development.

    Science.gov (United States)

    Caldwell, Gary W

    2015-01-01

    The target-based drug discovery process, including target selection, screening, hit-to-lead (H2L) and lead optimization stage gates, is the most common approach used in drug development. The full integration of in vitro and/or in vivo data with in silico tools across the entire process would be beneficial to R&D productivity by developing effective selection criteria and drug-design optimization strategies. This review focuses on understanding the impact and extent in the past 5 years of in silico tools on the various stage gates of the target-based drug discovery approach. There are a large number of in silico tools available for establishing selection criteria and drug-design optimization strategies in the target-based approach. However, the inconsistent use of in vitro and/or in vivo data integrated with predictive in silico multiparameter models throughout the process is contributing to R&D productivity issues. In particular, the lack of reliable in silico tools at the H2L stage gate is contributing to the suboptimal selection of viable lead compounds. It is suggested that further development of in silico multiparameter models and organizing biologists, medicinal and computational chemists into one team with a single accountable objective to expand the utilization of in silico tools in all phases of drug discovery would improve R&D productivity.

  12. Structures of potent anticancer compounds bound to tubulin.

    Science.gov (United States)

    McNamara, Dan E; Senese, Silvia; Yeates, Todd O; Torres, Jorge Z

    2015-07-01

    Small molecules that bind to tubulin exert powerful effects on cell division and apoptosis (programmed cell death). Cell-based high-throughput screening combined with chemo/bioinformatic and biochemical analyses recently revealed a novel compound MI-181 as a potent mitotic inhibitor with heightened activity towards melanomas. MI-181 causes tubulin depolymerization, activates the spindle assembly checkpoint arresting cells in mitosis, and induces apoptotic cell death. C2 is an unrelated compound previously shown to have lethal effects on microtubules in tumorigenic cell lines. We report 2.60 Å and 3.75 Å resolution structures of MI-181 and C2, respectively, bound to a ternary complex of αβ-tubulin, the tubulin-binding protein stathmin, and tubulin tyrosine ligase. In the first of these structures, our crystallographic results reveal a unique binding mode for MI-181 extending unusually deep into the well-studied colchicine-binding site on β-tubulin. In the second structure the C2 compound occupies the colchicine-binding site on β-tubulin with two chemical moieties recapitulating contacts made by colchicine, in combination with another system of atomic contacts. These insights reveal the source of the observed effects of MI-181 and C2 on microtubules, mitosis, and cultured cancer cell lines. The structural details of the interaction between tubulin and the described compounds may guide the development of improved derivative compounds as therapeutic candidates or molecular probes to study cancer cell division. © 2015 The Protein Society.

  13. A Study on Active Layer Morphology of Ternary Organic Solar Cells

    Science.gov (United States)

    Mai, Jiangquan

    Ternary organic solar cells are emerging as a promising strategy to enhance device power conversion efficiency by broadening light absorption range with the incorporation of additional light absorbing components. In the bulk heterojunction of organic active layer, the third component is incorporated as either a sensitizer or a parallel component based on the amount added. My thesis study covers both cases and the underlying mechanism of morphology compatibility in ternary organic solar cells. Throughout the studies, synchrotron based grazing incidence X-ray scattering is used to unveil the morphology of the ternary films from the molecular scale to nanometer scale and to promote the understanding of the morphology-device correlation in order to improve the device performance. For the sensitizing case, I employed 6% of the third component, PTB7, which is a high-performance low-bandgap polymer, into a prototypical binary system, P3HT:PC71BM and achieved 27% improvement in power conversion efficiency. Remarkably, this ternary system exhibited high PCE even with a thick active layer, 200 nm, a thickness at which the efficiency of PTB7:PC 71BM cell drops dramatically. It suggested a brand new route for high efficiency thick-film photovoltaic device, especially valuable for future large-scale solar cell manufacturing, via mixing one high-crystallinity polymer and one high-performance polymer. For the parallel case, same amount of two high-performance donor polymers, PTB7-Th and PPor-2 were blended with PC 71BM. A PCE as high as 9% was achieved, mainly due to the increase of short circuit current and fill factor arising from the enhanced light absorption, better charge carrier mobility and reduced charge recombination. Following the previous two specific systems, I then moved on to find out the general rule for compatible polymers to allow comparable loadings of each component. Four donor polymers with totally different chemical structures and absorption ranges were

  14. Modeling of anodic dissolution of U Pu Zr ternary alloy in the molten LiCl KCl electrolyte

    Science.gov (United States)

    Iizuka, Masatoshi; Kinoshita, Kensuke; Koyama, Tadafumi

    2005-02-01

    The metallic fuel anode in the molten salt electrorefining step for the pyrometallurgical reprocessing was modeled based on the findings from the anodic dissolution tests using a U Pu Zr ternary alloy. This anode model simulates selective dissolution of uranium and plutonium at lower anode potential, growth of a diffusion controlling layer consisting of a mixture of the molten salt electrolyte and the remaining zirconium metal, and simultaneous dissolution of all the constituents at higher anode potential. The calculation with this model reproduced well the actual anodic behavior of the U Pu Zr ternary alloy such as two-step rapid rise in the anode potential.

  15. Phase diagrams of the ternary alloy with a single-ion anisotropy in the mean-field approximation

    International Nuclear Information System (INIS)

    Dely, J.; Bobak, A.

    2006-01-01

    The phase diagram of the AB p C 1-p ternary alloy consisting of Ising spins S A =32, S B =2, and S C =52 is investigated by the use of a mean-field theory based on the Bogoliubov inequality for the Gibbs free energy. The effect of the single-ion anisotropy on the phase diagrams is discussed by changing values of the parameters in the model Hamiltonian and comparison is made with the recently reported finite-temperature phase diagrams for the ternary alloy having spin S B =1

  16. Regular Functions with Values in Ternary Number System on the Complex Clifford Analysis

    Directory of Open Access Journals (Sweden)

    Ji Eun Kim

    2013-01-01

    Full Text Available We define a new modified basis i^ which is an association of two bases, e1 and e2. We give an expression of the form z=x0+ i ^z0-, where x0 is a real number and z0- is a complex number on three-dimensional real skew field. And we research the properties of regular functions with values in ternary field and reduced quaternions by Clifford analysis.

  17. Design of new disulfide-based organic compounds for the improvement of self-healing materials.

    Science.gov (United States)

    Matxain, Jon M; Asua, José M; Ruipérez, Fernando

    2016-01-21

    Self-healing materials are a very promising kind of materials due to their capacity to repair themselves. Among others, diphenyl disulfide-based compounds (Ph2S2) appear to be among the best candidates to develop materials with optimum self-healing properties. However, few is known regarding both the reaction mechanism and the electronic structure that make possible such properties. In this vein, theoretical approaches are of great interest. In this work, we have carried out theoretical calculations on a wide set of different disulfide compounds, both aromatic and aliphatic, in order to elucidate the prevalent reaction mechanism and the necessary electronic conditions needed for improved self-healing properties. Two competitive mechanisms were considered, namely, the metathesis and the radical-mediated mechanism. According to our calculations, the radical-mediated mechanism is the responsible for this process. The formation of sulfenyl radicals strongly depends on the S-S bond strength, which can be modulated chemically by the use of proper derivatives. At this point, amino derivatives appear to be the most promising ones. In addition to the S-S bond strength, hydrogen bonding between disulfide chains seems to be relevant to favour the contact among disulfide units. This is crucial for the reaction to take place. The calculated hydrogen bonding energies are of the same order of magnitude as the S-S bond energies. Finally, reaction barriers have been analysed for some promising candidates. Two reaction mechanisms were compared, namely, the [2+2] metathesis reaction mechanism and the [2+1] radical-mediated mechanism. No computational evidence for the existence of any transition state for the metathesis mechanism was found, which indicates that the radical-mediated mechanism is the one responsible in the self-healing process of these materials. Interestingly, the calculated reaction barriers are around 10 kcal mol(-1) regardless the substituent employed. All these

  18. [Compatibility regularity of compound traditional Chinese medicine patents based on association principle and entropy method].

    Science.gov (United States)

    Yin, Xiang-jun; He, Qing-yong

    2015-02-01

    To analyze the compatibility regularity of compound traditional Chinese medicine (TCM) patents for treating dyslipidemia, and provide basis for the clinical development and research of new TCM for treating dyslipidemia. Totally 243 compound traditional Chinese medicine patents for treating dyslipidemia were collected from the national patent database from September 1985 to March 2014 and analyzed by using drug frequency, association rules, complex network and entropy method of Traditional Chinese Medicine Inheritance System (V1.1). The commonest single medicine in the treatment of dyslipidemia is Crataegi Fructus 109 (44.86%). The commonest pair medicine is Crataegi Fructus-Salviae Miltiorrhizae Radix et Rhizoma 53 (21.81%). The commonest corner drug is Crataegi Fructus-Cassiae Semen-Polygoni Multiflori Radix 25 (10.29%). The common prescriptions on basis of association rules are Prunellae Spica-->Salviae Miltiorrhizae Radix et Rhizoma (0.833), Rhei Radix et Rhizoma, Alismatis Rhizoma-->Polygoni Multiflori Radix (1.00), Salviae Miltiorrhizae Radix et Rhizoma, Cassiae Semen, Alismatis Rhizoma-->Polygoni Multiflori Radix (0.929). The core drugs based on complex networks are Salviae Miltiorrhizae Radix et Rhizoma and Crataegi Fructus. The new prescriptions extracted by entropy method are Atractylodis Macrocephalae Rhizoma-Glycyrrhizae Radix et Rhizoma-Platycladi Semen-Stephaniae Tetrandrae Radix; Citri Reticulatae Pericarpium-Poria-Coicis Semen-Pinelliae Rhizoma. This study shows the regularity in the compatibility of compound TCM patents treating dyslipidemia, suggesting that future studies on new traditional Chinese medicines treating dyslipidemia should focus on the following six aspects: (1) Single medicine should be preferred: e. g. Crataegi Fructus; (2) Pair medicines should be preferred: e. g. Crataegi Fructus-Salviae Miltiorrhizae Radix et Rhizoma; (3) Corner drugs should be preferred: e. g. Crataegi Fructus, Cassiae Semen, Polygoni Multiflori Radix; (4) The

  19. Effects of Metallic Nanoparticles on Interfacial Intermetallic Compounds in Tin-Based Solders for Microelectronic Packaging

    Science.gov (United States)

    Haseeb, A. S. M. A.; Arafat, M. M.; Tay, S. L.; Leong, Y. M.

    2017-10-01

    Tin (Sn)-based solders have established themselves as the main alternative to the traditional lead (Pb)-based solders in many applications. However, the reliability of the Sn-based solders continues to be a concern. In order to make Sn-based solders microstructurally more stable and hence more reliable, researchers are showing great interest in investigating the effects of the incorporation of different nanoparticles into them. This paper gives an overview of the influence of metallic nanoparticles on the characteristics of interfacial intermetallic compounds (IMCs) in Sn-based solder joints on copper substrates during reflow and thermal aging. Nanocomposite solders were prepared by mechanically blending nanoparticles of nickel (Ni), cobalt (Co), zinc (Zn), molybdenum (Mo), manganese (Mn) and titanium (Ti) with Sn-3.8Ag-0.7Cu and Sn-3.5Ag solder pastes. The composite solders were then reflowed and their wetting characteristics and interfacial microstructural evolution were investigated. Through the paste mixing route, Ni, Co, Zn and Mo nanoparticles alter the morphology and thickness of the IMCs in beneficial ways for the performance of solder joints. The thickness of Cu3Sn IMC is decreased with the addition of Ni, Co and Zn nanoparticles. The thickness of total IMC layer is decreased with the addition of Zn and Mo nanoparticles in the solder. The metallic nanoparticles can be divided into two groups. Ni, Co, and Zn nanoparticles undergo reactive dissolution during solder reflow, causing in situ alloying and therefore offering an alternative route of alloy additions to solders. Mo nanoparticles remain intact during reflow and impart their influence as discrete particles. Mechanisms of interactions between different types of metallic nanoparticles and solder are discussed.

  20. Hexamethyldisiloxane thin films as sensitive coating for quartz crystal microbalance based volatile organic compounds sensors

    International Nuclear Information System (INIS)

    Boutamine, M.; Bellel, A.; Sahli, S.; Segui, Y.; Raynaud, P.

    2014-01-01

    Hexamethyldisiloxane (HMDSO) thin films coated quartz crystal microbalance (QCM) electrodes have been characterized for the detection of volatile organic compounds (VOCs). The sensitive coatings were plasma polymerized in pure vapor of HMDSO and HMDSO/O 2 mixture. The sensor sensitivity was evaluated by monitoring the frequency shift (∆f) of the coated QCM electrode exposed to different concentrations of VOC vapors, such as ethanol, methanol, benzene and chloroform. The isotherm response characteristics showed good reproducibility and reversibility. For all types of analyte, ∆f were found to be linearly correlated with the concentration of VOC vapor. It was shown that it is possible to tune the chemical affinity of the sensor by changing the oxygen ratio in the deposition gas mixture. Contact angle measurements (CA), attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, atomic force microscopy (AFM) and scanning electron microscopy (SEM) were used to study surface wettability, chemical composition and surface morphology of the coated QCM electrodes. ATR-FTIR analysis showed the presence of methyl groups around 840 cm −1 due to Si-(CH 3 ) 3 rocking vibration making the elaborated sensor surface hydrophobic. When the coating is performed in HMDSO/O 2 mixture, AFM and SEM images showed an increase in the effective specific surface area of the sensor due to the increase in surface roughness. Surface morphology combined with chemical composition significantly affects the sensitivity of the QCM-based sensor. - Highlights: • Hexamethyldisiloxane layers were evaluated for volatile organic compounds detection. • The kinetic response of the sensor showed good reproducibility and reversibility. • Hydrophobic coating and high specific surface area increase the sensor sensitivity. • Sensor affinity can be controlled by controlling oxygen proportion in the mixture

  1. Carbon based secondary compounds do not provide protection against heavy metal road pollutants in epiphytic macrolichens.

    Science.gov (United States)

    Gauslaa, Yngvar; Yemets, Olena A; Asplund, Johan; Solhaug, Knut Asbjørn

    2016-01-15

    Lichens are useful monitoring organisms for heavy metal pollution. They are high in carbon based secondary compounds (CBSCs) among which some may chelate heavy metals and thus increase metal accumulation. This study quantifies CBSCs in four epiphytic lichens transplanted for 6months on stands along transects from a highway in southern Norway to search for relationships between concentrations of heavy metals and CBSCs along a gradient in heavy metal pollutants. Viability parameters and concentrations of 21 elements including nutrients and heavy metals in these lichen samples were reported in a separate paper. Medullary CBSCs in fruticose lichens (Ramalina farinacea, Usnea dasypoga) were reduced in the most polluted sites, but not in foliose ones (Parmelia sulcata, Lobaria pulmonaria), whereas cortical CBSC did not change with distance from the road in any species. Strong positive correlations only occurred between the major medullary compound stictic acid present in L. pulmonaria and most heavy metals, consistent with a chelating role of stictic acid, but not of other studied CBSCs or in other species. However, heavy metal chelating did not protect L. pulmonaria against damage because this species experienced the strongest reduction in viability in the polluted sites. CBSCs with an accumulation potential for heavy metals should be quantified in lichen biomonitoring studies of heavy metals because they, like stictic acid, could overshadow pollutant inputs in some species rendering biomonitoring data less useful. In the two fruticose lichen species, CBSCs decreased with increasing heavy metal concentration, probably because heavy metal exposure impaired secondary metabolism. Thus, we found no support for a heavy metal protection role of any CBSCs in studied epiphytic lichens. No intraspecific relationships occurred between CBSCs versus N or C/N-ratio. Interspecifically, medullary CBSCs decreased and cortical CBSCs increased with increasing C/N-ratio. Copyright © 2015

  2. Hexamethyldisiloxane thin films as sensitive coating for quartz crystal microbalance based volatile organic compounds sensors

    Energy Technology Data Exchange (ETDEWEB)

    Boutamine, M. [Laboratoire des Etudes de Matériaux d' Electronique pour Applications Médicales (LEMEAMED), Faculté des Sciences de la Technologie, Université Constantine 1, Constantine 25000 (Algeria); Bellel, A., E-mail: azzedine.bellel@gmail.com [Laboratoire des Etudes de Matériaux d' Electronique pour Applications Médicales (LEMEAMED), Faculté des Sciences de la Technologie, Université Constantine 1, Constantine 25000 (Algeria); Sahli, S. [Laboratoire de Microsystèmes et Instrumentation (LMI), Faculté des Sciences de la Technologie, Université Constantine 1, Constantine 25000 (Algeria); Segui, Y.; Raynaud, P. [Laboratoire Plasma et Conversion de l' Energie (LAPLACE), Université Paul Sabatier, 118 Route de Narbonne, 31062 Toulouse Cedex (France)

    2014-02-03

    Hexamethyldisiloxane (HMDSO) thin films coated quartz crystal microbalance (QCM) electrodes have been characterized for the detection of volatile organic compounds (VOCs). The sensitive coatings were plasma polymerized in pure vapor of HMDSO and HMDSO/O{sub 2} mixture. The sensor sensitivity was evaluated by monitoring the frequency shift (∆f) of the coated QCM electrode exposed to different concentrations of VOC vapors, such as ethanol, methanol, benzene and chloroform. The isotherm response characteristics showed good reproducibility and reversibility. For all types of analyte, ∆f were found to be linearly correlated with the concentration of VOC vapor. It was shown that it is possible to tune the chemical affinity of the sensor by changing the oxygen ratio in the deposition gas mixture. Contact angle measurements (CA), attenuated total reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy, atomic force microscopy (AFM) and scanning electron microscopy (SEM) were used to study surface wettability, chemical composition and surface morphology of the coated QCM electrodes. ATR-FTIR analysis showed the presence of methyl groups around 840 cm{sup −1} due to Si-(CH{sub 3}){sub 3} rocking vibration making the elaborated sensor surface hydrophobic. When the coating is performed in HMDSO/O{sub 2} mixture, AFM and SEM images showed an increase in the effective specific surface area of the sensor due to the increase in surface roughness. Surface morphology combined with chemical composition significantly affects the sensitivity of the QCM-based sensor. - Highlights: • Hexamethyldisiloxane layers were evaluated for volatile organic compounds detection. • The kinetic response of the sensor showed good reproducibility and reversibility. • Hydrophobic coating and high specific surface area increase the sensor sensitivity. • Sensor affinity can be controlled by controlling oxygen proportion in the mixture.

  3. Carbometalates. Intermediate phases in the ternary systems RE-T-C (RE = Y, La, Gd-Er; T = Cr, Fe, Ru)

    Energy Technology Data Exchange (ETDEWEB)

    Davaasuren, Bambar

    2010-07-01

    The main motivation of this work was the preparation and characterization of novel compounds in the ternary systems RE-T-C with T = Cr, Fe and Ru with a special focus on compounds containing C{sub 2}{sup n-} and C{sub 3}{sup m-} or mixed C and C{sub 2}{sup n-} as structural units. This would allow to investigate the applicability of the concept of complex anions to this class of materials.

  4. Hardness and Second Phase Percentage of Ni-Ti-Hf Compounds After Heat Treatment at 700C

    Science.gov (United States)

    Stanford, Malcolm K.

    2017-01-01

    The Vickers hardness and second phase precipitation of three ternary intermetallic Ni-Ti-Hf compounds containing either 1, 3 or 5 at.% Hf were compared to 60-Nitinol (55 at.% Ni - 45 at.% Ti). Heat treatment either at 700 C or with a subsequent aging step, hardened the 3 and 5 at.% Hf-containing ternaries to approximately 620 HV (56 HRC). Heat treatment increased the hardness of the 1 at.% Hf compound by more than 25 percent. Average hardness of the 3 and 5 at.% Hf ternaries, though higher than that of the binary Ni-Ti or the Ni-Ti-Hf compound containing 1 at.% Hf, appeared to be fairly insensitive to the different heat treatments. There was a drastic reduction of fatigue-enhancing second phase precipitates for the 5 at.% Hf ternaries compared to the other compounds. These results should guide materials selection for development of aerospace componentry.

  5. Ternary complex of plasmid DNA with NLS-Mu-Mu protein and cationic niosome for biocompatible and efficient gene delivery: a comparative study with protamine and lipofectamine.

    Science.gov (United States)

    Nematollahi, Mohammad Hadi; Torkzadeh-Mahanai, Masoud; Pardakhty, Abbas; Ebrahimi Meimand, Hossein Ali; Asadikaram, Gholamreza

    2017-10-28

    Non-viral gene delivery methods are considered due to safety and simplicity in human gene therapy. Since the use of cationic peptide and niosome represent a promising approach for gene delivery purposes we used recombinant fusion protein and cationic niosome as a gene carrier. A multi-domain fusion protein including nuclear localization motif (NLS) and two DNA-binding (Mu) domains, namely NLS-Mu-Mu (NMM) has been designed, cloned and expressed in E. coli DE3 strain. Afterward, the interested protein was purified by affinity chromatography. Binary vectors based on protein/DNA and ternary vectors based on protein/DNA/niosome were prepared. Protamine was used as a control. DNA condensing properties of NMM and protamine were evaluated by various experiments. Furthermore, we examined cytotoxicity, hemolysis and transfection potential of the binary and ternary complexes in HEK293T and MCF-7 cell lines. Protamine and Lipofectamine™2000 were used as positive controls, correspondingly. The recombinant NMM was expressed and purified successfully and DNA was condensed efficiently at charge ratios that were not harmful to cells. Peptidoplexes showed transfection efficiency (TE) but ternary complexes had higher TE. Additionally, NMM ternary complex was more efficient compared to protamine ternary vectors. Our results showed that niosomal ternary vector of NMM is a promising non-viral gene carrier to achieve an effective and safe carrier system for gene therapy.

  6. Solution-based colloidal synthesis of hybrid P3HT: Ternary CuInSe2 nanocomposites using a novel combination of capping agents for low-cost photovoltaics

    Science.gov (United States)

    Sharma, Shailesh Narain; Chawla, Parul; Akanksha; Srivastava, A. K.

    2016-06-01

    In this work, ternary CuInSe2 (CISe) chalcopyrite nanocrystallites efficiently passivated by a novel combination of capping agents viz: aniline and 1-octadecene during chemical route synthesis were dispersed in conducting polymer matrix poly(3-hexylthiophene) (P3HT). By varying the composition and concentration of the ligands, the properties of the resulting CISe nanocrystallites and its corresponding polymer nanocomposites thus could be tailored. The structural, morphological and optical studies accomplished by various complimentary techniques viz. Transmission Electron Microscopy (TEM), Contact angle, Photoluminescence (PL) and Raman have enabled us to compare the different hybrid organic (polymer)-inorganic nanocomposites. On the basis of aniline-octadecene equilibrium phase diagram, the polydispersity of the CISe nanocrystals could be tuned by using controlled variations in the reaction conditions of nucleation and growth such as composition of the solvent and temperature. To the best of author's knowledge, the beneficial effects of both the capping agents; aniline and octadecene contributing well in tandem in the development of large-sized (100-125 nm) high quality, sterically- and photo-oxidative stable polycrystalline CISe and its corresponding polymer (P3HT):CISe composites with enhanced charge transfer efficiency has been reported for the first time. The low-cost synthesis and ease of preparation renders this method of great potential for its possible application in low-cost hybrid organic-inorganic photovoltaics. The figure shows the Temperature vs Mole fraction graph of two different phases (aniline and 1-octadecene) in equilibrium.

  7. Yb-based heavy fermion compounds and field tuned quantum chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Mun, Eundeok [Iowa State Univ., Ames, IA (United States)

    2010-01-01

    The motivation of this dissertation was to advance the study of Yb-based heavy fermion (HF) compounds especially ones related to quantum phase transitions. One of the topics of this work was the investigation of the interaction between the Kondo and crystalline electric field (CEF) energy scales in Yb-based HF systems by means of thermoelectric power (TEP) measurements. In these systems, the Kondo interaction and CEF excitations generally give rise to large anomalies such as maxima in ρ(T) and as minima in S(T). The TEP data were use to determine the evolution of Kondo and CEF energy scales upon varying transition metals for YbT2Zn20 (T = Fe, Ru, Os, Ir, Rh, and Co) compounds and applying magnetic fields for YbAgGe and YbPtBi. For YbT2Zn20 and YbPtBi, the Kondo and CEF energy scales could not be well separated in S(T), presumably because of small CEF level splittings. A similar effect was observed for the magnetic contribution to the resistivity. For YbAgGe, S(T) has been successfully applied to determine the Kondo and CEF energy scales due to the clear separation between the ground state and thermally excited CEF states. The Kondo temperature, TK, inferred from the local maximum in S(T), remains finite as magnetic field increases up to 140 kOe. In this dissertation we have examined the heavy quasi-particle behavior, found near the field tuned AFM quantum critical point (QCP), with YbAgGe and YbPtBi. Although the observed nFL behaviors in the vicinity of the QCP are different between YbAgGe and YbPtBi, the constructed H-T phase diagram including the two crossovers are similar. For both YbAgGe and YbPtBi, the details of the quantum criticality turn out to be complicated. We expect that YbPtBi will provide an additional example of field tuned quantum criticality, but clearly there are further experimental investigations left and more ideas needed to understand the basic physics of field-induced quantum

  8. Excess enthalpies of ternary mixtures of (oxygenated additives + aromatic hydrocarbon) mixtures in fuels and bio-fuels: (Dibutyl-ether + 1-propanol + benzene), or toluene, at T = (298.15 and 313.15) K

    International Nuclear Information System (INIS)

    Alaoui, Fatima E.M.; Aguilar, Fernando; González-Fernández, María Jesús; Dakkach, Mohamed; Montero, Eduardo A.

    2015-01-01

    Highlights: • New excess enthalpy data for ternary mixtures of (dibutyl ether + aromatic hydrocarbon + 1-propanol) are reported. • 2 ternary systems at T = (298.15 and 313.15) K were measured by means of an isothermal flow calorimeter. • 230 data were fitted to a Redlich–Kister rational equation. • Intermolecular and association effects involved in these systems have been discussed. - Abstract: New experimental excess molar enthalpy data of the ternary systems (dibutyl ether + 1-propanol + benzene, or toluene), and the corresponding binary systems at T = (298.15 and 313.15) K at atmospheric pressure are reported. A quasi-isothermal flow calorimeter has been used to make the measurements. All the binary and ternary systems show endothermic character at both temperatures. The experimental data for the systems have been fitted using the Redlich–Kister rational equation. Considerations with respect the intermolecular interactions amongst ether, alcohol and hydrocarbon compounds are presented

  9. Ionic liquids based simultaneous ultrasonic and microwave assisted extraction of phenolic compounds from burdock leaves

    International Nuclear Information System (INIS)

    Lou Zaixiang; Wang Hongxin; Zhu Song; Chen Shangwei; Zhang Ming; Wang Zhouping

    2012-01-01

    The ionic liquids based simultaneous ultrasonic and microwave assisted extraction (IL-UMAE) technique was first proposed and applied to isolate compounds. The ionic liquids comprising a range of four anions, five 1-alkyl-3-methylimidazolium derivatives were designed and prepared. The results suggested that varying the anion and cation both had apparent effects on the extraction of phenolics. The results also showed that irradiation power, time and solid–liquid ratio significantly affected the yields. The yields of caffeic acid and quercetin obtained by IL-UMAE were higher than those by regular UMAE. Compared with conventional heat-reflux extraction (HRE), the proposed approach exhibited higher efficiency (8–17% enhanced) and shorter extraction time (from 5 h to 30 s). The results indicated ILUMAE to be a fast and efficient extraction technique. Moreover, the proposed method was validated by the reproducibility and recovery experiments. The ILUMAE method provided good recoveries (from 96.1% to 105.3%) with RSD lower than 5.2%, which indicated that the proposed method was credible. Based on the designable nature of ionic liquids, and the rapid and highly efficient performance of the proposed approach, ILUMAE provided a new alternative for preparation of various useful substances from solid samples.

  10. Development of a Wireless and Passive SAW-Based Chemical Sensor for Organophosphorous Compound Detection

    Directory of Open Access Journals (Sweden)

    Fang-Qian Xu

    2015-12-01

    Full Text Available A new wireless and passive surface acoustic wave (SAW-based chemical sensor for organophosphorous compound (OC detection is presented. A 434 MHz reflective delay line configuration composed by single phase unidirectional transducers (SPUDTs and three shorted reflectors was fabricated on YZ LiNbO3 piezoelectric substrate as the sensor element. A thin fluoroalcoholpolysiloxane (SXFA film acted as the sensitive interface deposited onto the SAW propagation path between the second and last reflectors of the SAW device. The first reflector was used for the temperature compensation utilizing the difference method. The adsorption between the SXFA and OC molecules modulates the SAW propagation, especially for the time delay of the SAW, hence, the phase shifts of the reflection peaks from the corresponding reflectors can be used to characterize the target OC. Prior to the sensor fabrication, the coupling of modes (COM and perturbation theory were utilized to predict the SAW device performance and the gas adsorption. Referring to a frequency-modulated continuous wave (FMCW-based reader unit, the developed SAW chemical sensor was wirelessly characterized in gas exposure experiments for dimethylmethylphosphonate (DMMP detection. Sensor performance parameters such as phase sensitivity, repeatability, linearity, and temperature compensation were evaluated experimentally.

  11. Improvement of Bioactive Compound Classification through Integration of Orthogonal Cell-Based Biosensing Methods

    Directory of Open Access Journals (Sweden)

    Goran N. Jovanovic

    2007-01-01

    Full Text Available Lack of specificity for different classes of chemical and biological agents, and false positives and negatives, can limit the range of applications for cell-based biosensors. This study suggests that the integration of results from algal cells (Mesotaenium caldariorum and fish chromatophores (Betta splendens improves classification efficiency and detection reliability. Cells were challenged with paraquat, mercuric chloride, sodium arsenite and clonidine. The two detection systems were independently investigated for classification of the toxin set by performing discriminant analysis. The algal system correctly classified 72% of the bioactive compounds, whereas the fish chromatophore system correctly classified 68%. The combined classification efficiency was 95%. The algal sensor readout is based on fluorescence measurements of changes in the energy producing pathways of photosynthetic cells, whereas the response from fish chromatophores was quantified using optical density. Change in optical density reflects interference with the functioning of cellular signal transduction networks. Thus, algal cells and fish chromatophores respond to the challenge agents through sufficiently different mechanisms of action to be considered orthogonal.

  12. Uranium-oxide-based catalysts for the destruction of volatile chloro-organic compounds

    International Nuclear Information System (INIS)

    Hutchings, G.; Heneghan, C.S.; Taylor, S.H.

    1996-01-01

    The industrial release of hydrocarbons and chlorine-containing organic molecules into the environment continues to attract considerable public concern, which in turn has led to governmental attempts to control such emissions. The challenge is to reduce pollution without stifling economic growth. Chlorine-containing pollutants are known to be particularly stable, and at present the main industrial process for their destruction involves thermal oxidation at 1,000 o C, an expensive process that can lead to the formation of highly toxic by-products such as dioxins and dibenzofurans. Catalytic combustion at lower temperatures could potentially destroy pollutants more efficiently (in terms of energy requirements) and without forming toxic by-products. Current industrial catalysts are based on precious metals that are deactivated rapidly by organochlorine compounds. Here we report that catalysts based on uranium oxide efficiently destroy a range of hydrocarbon and chlorine-containing pollutants, and that these catalysts are resistant to deactivation. We show that benzene, toluene, chlorobutane and chlorobenzene can be destroyed at moderate temperatures ( o C) and industrially relevant flow rates. (Author)

  13. Synergistic extraction of Gd3+ by ternary system of AAB species composed of HBMBP-P507-TBP in toluene

    International Nuclear Information System (INIS)

    Chen Dingfang; Lu Xiuzhen; Peng Lie; Wang Wenqing

    1990-01-01

    Trivalent lanthanide systems have been shown to exhibit variable coordination number ranging from 6 to 12 with which 7 and 8 are a common sight. Those ions which have the coordination number twice as large as the number of valence electrons may easily produce synergic effect. In order to prove the regularity of synergistic extraction and the exploration of new ternary synergic system proposed by Xu Guangxian and to search a new solvent extract system for separating the lanthanide elements, the synergic extraction of Cd 3+ from perchloric acid solution by HBMBP P507-TBP in toluene was studied. The system is composed of two chelate extracting ligands and one neutral extractants, namely AAB species. The equilibrium constants were determined to be logβ 1 = -4.24 (HPMBP system, extracted complex Gd(PMBP) 3 ); logβ * 1 = -2.88 (extracted complex Gd(PMBP) 3 (HPMBP)); logβ 12 = -1.04 (HPMBP-P507 system, synergic complex Gd(HA 2 )(PMBP) 2 ); logβ 13 = -0.316 (HPMBP-TBP system, synergic complex Gd(HMBP) 3 TBP); logβ * 13 = 1.87 (synergic complex Gd(PMBP) 3 2TBP); logβ 123 = 1.04 (HPMBP-P507-TBP system, ternary synergic complex Gd(HA 2 )(PMBP) 2 TBP) respectively. According to Xu Guangxian's opinion, the synergistic effect of chelate, neutral complex in ternary system arises from satisfying the electricity neutrality principle, loss-of-hydrophilic principle and coordinate substitution principle. From the structure of ternary extraction compound, it is shown that the existence of the different size molecules of P507 and PMBP increases the unsymmetry of coordinate ions. Perhaps that is the reason to produce an obvious ternary synergic effect

  14. Densities and Excess Molar Volume for the Ternary Systems (1 ...

    African Journals Online (AJOL)

    methylimidazolium methyl sulphate ([BMIM]+[MeSO4]-) were determined. The ternary systems studied were ... The results are interpreted in terms of the alcohol chain length and the intermolecular interactions. KEYWORDS Density, excess molar ...

  15. Research of operational properties of compound based on high viscosity styrene-butadiene rubber SSBR-2560 TDAE HV

    Directory of Open Access Journals (Sweden)

    M. I. Falyakhov

    2016-01-01

    Full Text Available The article consider the influence of replacement of SSBR-2560 TDAE batch production on high viscosity SSBR-2560-TDAE HV in the tread recipe on the tire performance properties. Obtained samples were highly viscosity styrene butadiene rubber did not differ in the microstructure of the SSBR-2560 TDAE batch production. Increasing the molecular weight possible to increase the Mooney viscosity of the rubber, however, is known to one of adverse factors is the deterioration of processability of rubber compounds based on polymers. In this connection, investigated the behavior in the step mixing compound based on high viscosity SSBR rubber. We chose recipes tread of the tire with a high content of organic silicon filler. It is established that the equivalent replacement of the polymer in the tread recipe does not lead to significant changes in the basic parameters of rubber mixing. We observed a slight increase in the energy consumption for the preparation of the rubber compounds, as well as the discharge temperature at each stage. It was shown to improve the distribution of the filler in the polymer matrix for the compound based on SSBR-2560 TDAE HV. The results showed that compound based on high viscosity SSBR improves rolling resistance and traction characteristics, while maintaining abrasion in comparison with the SSBR-2560-M27 batch production. Recommended use this brand in the production of rubber car tires.

  16. First-principle study of the structural, electronic, and optical properties of cubic InN{sub x}P{sub 1-x} ternary alloys under hydrostatic pressure

    Energy Technology Data Exchange (ETDEWEB)

    Hattabi, I. [Ibn Khaldoun Univ. de Tiaret (Algeria). Lab. Synthese et Catalyse; Abdiche, A.; Riane, R. [Sidi-bel-Abbes Univ. (Algeria). Applied Materials Lab.; Moussa, R. [Sidi-bel-Abbes Univ. (Algeria). Physic Dept.; Hadji, K. [Ibn Khaldoun Univ. de Tiaret (Algeria). Science and Technology Dept.; Soyalp, F. [Yuezuencue Yil Univ., Van (Turkey). Dept. of Physics; Varshney, Dinesh [Devi Ahilya Univ., Indore (India). Materials Science Lab.; Syrotyuk, S.V. [National Univ. ' Lviv Polytechnic' , Lviv (Ukraine). Semiconductor Electronics Dept.; Khenata, R. [Mascara Univ. (Algeria). Lab. de Physique Quantique et de Modelisation Mathematique (LPQ3M)

    2016-07-01

    In this article, we present results of the first-principle study of the structural, electronic, and optical properties of the InN, InP binary compounds and their related ternary alloy InN{sub x}P{sub 1-x} in the zinc-blend (ZB) phase within a nonrelativistic full potential linearised augmented plan wave (FP-LAPW) method using Wien2k code based on the density functional theory (DFT). Different approximations of exchange-correlation energy were used for the calculation of the lattice constant, bulk modulus, and first-order pressure derivative of the bulk modulus. Whereas the lattice constant decreases with increasing nitride composition x. Our results present a good agreement with theoretical and experimental data. The electronic band structures calculated using Tran-Blaha-modified Becke-Johnson (TB-mBJ) approach present a direct band gap semiconductor character for InN{sub x}P{sub 1-x} compounds at different x values. The electronic properties were also calculated under hydrostatic pressure for (P=0.00, 5.00, 10.0, 15.0, 20.0, 25.0 GPa) where it is found that the InP compound change from direct to indirect band gap at the pressure P≥7.80 GPa. Furthermore, the pressure effect on the dielectric function and the refractive index was carried out. Results obtained in our calculations present a good agreement with available theoretical reports and experimental data.

  17. First-Principle Study of the Structural, Electronic, and Optical Properties of Cubic InNxP1-x Ternary Alloys under Hydrostatic Pressure

    Science.gov (United States)

    Hattabi, I.; Abdiche, A.; Moussa, R.; Riane, R.; Hadji, K.; Soyalp, F.; Varshney, Dinesh; Syrotyuk, S. V.; Khenata, R.

    2016-09-01

    In this article, we present results of the first-principle study of the structural, electronic, and optical properties of the InN, InP binary compounds and their related ternary alloy InNxP1-x in the zinc-blend (ZB) phase within a nonrelativistic full potential linearised augmented plan wave (FP-LAPW) method using Wien2k code based on the density functional theory (DFT). Different approximations of exchange-correlation energy were used for the calculation of the lattice constant, bulk modulus, and first-order pressure derivative of the bulk modulus. Whereas the lattice constant decreases with increasing nitride composition x. Our results present a good agreement with theoretical and experimental data. The electronic band structures calculated using Tran-Blaha-modified Becke-Johnson (TB-mBJ) approach present a direct band gap semiconductor character for InNxP1-x compounds at different x values. The electronic properties were also calculated under hydrostatic pressure for (P=0.00, 5.00, 10.0, 15.0, 20.0, 25.0 GPa) where it is found that the InP compound change from direct to indirect band gap at the pressure P≥7.80 GPa. Furthermore, the pressure effect on the dielectric function and the refractive index was carried out. Results obtained in our calculations present a good agreement with available theoretical reports and experimental data.

  18. Phase equilibria of liquid (water + butyric acid + oleyl alcohol) ternary system

    International Nuclear Information System (INIS)

    Bilgin, Mehmet

    2006-01-01

    (Liquid + liquid) equilibrium (LLE) data for the ternary system of (water + butyric acid + oleyl alcohol) at T = (298.15, 308.15, and 318.15) K are reported. Complete phase diagrams were obtained by determining solubility and the tie-line data. The reliability of the experimental tie lines was confirmed by using Othmer-Tobias correlation. The UNIFAC method was used to predict the phase equilibrium data. The phase diagrams for the ternary mixtures including both the experimental and correlated tie lines are presented. Distribution coefficients and separation factors were evaluated for the immiscibility region. A comparison of the solvent extracting capability was made with respect to distribution coefficients, separation factors, and solvent-free selectivity bases for T = (298.15, 308.15, and 318.15) K. It is concluded that oleyl alcohol may serve as an adequate solvent to extract butyric acid from its dilute aqueous solutions

  19. Phase equilibria of liquid (water + butyric acid + oleyl alcohol) ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Bilgin, Mehmet [Istanbul University, Engineering Faculty, Chemical Engineering Department, 34320 Avcilar, Istanbul (Turkey)]. E-mail: mbilgin@istanbul.edu.tr

    2006-12-15

    (Liquid + liquid) equilibrium (LLE) data for the ternary system of (water + butyric acid + oleyl alcohol) at T = (298.15, 308.15, and 318.15) K are reported. Complete phase diagrams were obtained by determining solubility and the tie-line data. The reliability of the experimental tie lines was confirmed by using Othmer-Tobias correlation. The UNIFAC method was used to predict the phase equilibrium data. The phase diagrams for the ternary mixtures including both the experimental and correlated tie lines are presented. Distribution coefficients and separation factors were evaluated for the immiscibility region. A comparison of the solvent extracting capability was made with respect to distribution coefficients, separation factors, and solvent-free selectivity bases for T = (298.15, 308.15, and 318.15) K. It is concluded that oleyl alcohol may serve as an adequate solvent to extract butyric acid from its dilute aqueous solutions.

  20. Calculated site substitution in ternary gamma'-Ni3Al: Temperature and composition effects

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt

    1997-01-01

    The temperature and composition dependence of the site substitution behavior of ternary additions to Ni3Al is examined on the basis of first-principles calculations of the total energies of ternary, partially ordered (gamma') alloys. The calculations are performed by means of the linear muffin......-tin orbitals method in conjunction with the local-density and multisublattice coherent-potential approximations and include all 3d, 4d, 5d, and noble metals. The calculations show the existence of simple trends in the alloying behavior of the gamma' phase which may be explained in a Friedel-like model based...... diagram for the elements Co, Pd, Cu, and Ag incorrectly has been interpreted as evidence for strong Ni site preference and that, in fact, these elements are expected to exhibit only weak Ni site preference....

  1. Solving the Ternary Quantum-Dot Cellular Automata Logic Gate Problem by Means of Adiabatic Switching

    Science.gov (United States)

    Pecar, Primoz; Mraz, Miha; Zimic, Nikolaj; Janez, Miha; Lebar Bajec, Iztok

    2008-06-01

    Quantum-dot cellular automata (QCA) are one of the most promising alternative platforms of the future. Recent years have witnessed the development of basic logic structures as well as more complex processing structures, however most in the realm of binary logic. On the grounds that future platforms should not disregard the advantages of multi-valued logic, Lebar Bajec et al. were the first to show that quantum-dot cellular automata can be used for the implementation of ternary logic as well. In their study the ternary AND and OR logic functions proved to be the most troublesome primitive to implement. This research presents a revised solution that is based on adiabatic switching.

  2. Reflectance properties of one-dimensional metal-dielectric ternary photonic crystal

    Energy Technology Data Exchange (ETDEWEB)

    Pandey, G. N., E-mail: gnpandey2009@gmail.com [Department of Physics, Amity Institute of Applied Sciences, AmityUniversity, Noida (U.P.) (India); Kumar, Narendra [Department of Physics (CASH), Modi University of Science and Technology, Lakshmangarh, Sikar, Rajsthan (India); Thapa, Khem B. [Department of Physics, U I E T, ChhatrapatiShahu Ji Maharaj University, Kanpur- (UP) (India); Ojha, S. P. [Department of Physics IIT, Banaras Hindu University (India)

    2016-05-06

    Metallic photonic crystal has a very important application in absorption enhancement in solar cells. It has been found that an ultra-thin metallic layer becomes transparent due to internal scattering of light through the each interface of the dielectric and metal surfaces. The metal has absorption due to their surface plasmon and the plasmon has important parameters for changing optical properties of the metal. We consider ternary metallic-dielectric photonic crystal (MDPC) for having large probabilities to change the optical properties of the MDPC and the photonic crystals may be changed by changing dimensionality, symmetry, lattice parameters, Filling fraction and effective refractive index refractive index contrast. In this present communication, we try to show that the photonic band gap in ternary metal-dielectric photonic crystal can be significantly enlarged when air dielectric constant is considered. All the theoretical analyses are made based on the transfer matrix method together with the Drude model of metal.

  3. Effect of fullerene tris-adducts on the photovoltaic performance of P3HT:fullerene ternary blends.

    Science.gov (United States)

    Kang, Hyunbum; Kim, Ki-Hyun; Kang, Tae Eui; Cho, Chul-Hee; Park, Sunhee; Yoon, Sung Cheol; Kim, Bumjoon J

    2013-05-22

    Fullerene tris-adducts have the potential of achieving high open-circuit voltages (V(OC)) in bulk heterojunction (BHJ) polymer solar cells (PSCs), because their lowest unoccupied molecular orbital (LUMO) level is higher than those of fullerene mono- and bis-adducts. However, no successful examples of the use of fullerene tris-adducts as electron acceptors have been reported. Herein, we developed a ternary-blend approach for the use of fullerene tris-adducts to fully exploit the merit of their high LUMO level. The compound o-xylenyl C60 tris-adduct (OXCTA) was used as a ternary acceptor in the model system of poly(3-hexylthiophene) (P3HT) as the electron donor and the two soluble fullerene acceptors of OXCTA and fullerene monoadduct (o-xylenyl C60 monoadduct (OXCMA), phenyl C61-butyric acid methyl ester (PCBM), or indene-C60 monoadduct (ICMA)). To explore the effect of OXCTA in ternary-blend PSC devices, the photovoltaic behavior of the device was investigated in terms of the weight fraction of OXCTA (W(OXCTA)). When W(OXCTA) is small (P3HT and the fullerene monoadduct, leading to simultaneous enhancement in both V(OC) and short-circuit current (J(SC)). For example, the ternary PSC devices of P3HT:(OXCMA:OXCTA) with W(OXCTA) of 0.1 and 0.3 exhibited power-conversion efficiencies (PCEs) of 3.91% and 3.96%, respectively, which were significantly higher than the 3.61% provided by the P3HT:OXCMA device. Interestingly, for W(OXCTA) > 0.7, both V(OC) and PCE of the ternary-blend PSCs exhibited nonlinear compositional dependence on W(OXCTA). We noted that the nonlinear compositional trend of P3HT:(OXCMA:OXCTA) was significantly different from that of P3HT:(OXCMA:o-xylenyl C60 bis-adduct (OXCBA)) ternary-blend PSC devices. The fundamental reasons for the differences between the photovoltaic trends of the two different ternary-blend systems were investigated systemically by comparing their optical, electrical, and morphological properties.

  4. Features of programming in DSSP for the ternary machine

    Directory of Open Access Journals (Sweden)

    Alexey А. Burtsev

    2017-12-01

    Full Text Available In article characteristic properties of the Dialogue System for Structured Programming (DSSP in which it significantly differs from the traditional languages (Pascal, C which are usually used for development of a basic course of programming are emphasized. And also the new possibilities of program creation which can be effectively realized on the ternary computer and which are provided now by programming system DSSP for TVM — the ternary virtual machine are considered.

  5. Tricolore. A flexible color scale for ternary compositions

    DEFF Research Database (Denmark)

    2018-01-01

    tricolore is an R library providing a flexible color scale for the visualization of three-part/ternary compositions. Its main functionality is to color-code any ternary composition as a mixture of three primary colours and to draw a suitable color-key. tricolore flexibly adapts to different...... visualisation challenges via - discrete and continuous color support - support for unbalanced compositional data via centering - support for data with very narrow range via scaling - hue, chroma and lightness options...

  6. An intimately bonded titanate nanotube–polyaniline–gold nanoparticle ternary composite as a scaffold for electrochemical enzyme biosensors

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiaoqiang, E-mail: liuxiaoqiang@henu.edu.cn [Institute of Environmental and Analytical Sciences, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan Province, 475004 (China); Zhu, Jie; Huo, Xiaohe; Yan, Rui [Institute of Environmental and Analytical Sciences, College of Chemistry and Chemical Engineering, Henan University, Kaifeng, Henan Province, 475004 (China); Wong, Danny K.Y., E-mail: Danny.Wong@mq.edu.au [Department of Chemistry and Biomolecular Sciences, Macquarie University, Sydney, NSW 2109 (Australia)

    2016-03-10

    In this work, titanate nanotubes (TNTs), polyaniline (PANI) and gold nanoparticles (GNPs) were assembled to form a ternary composite, which was then applied on an electrode as a scaffold of an electrochemical enzyme biosensor. The scaffold was constructed by oxidatively polymerising aniline to produce an emeraldine salt of PANI on TNTs, followed by gold nanoparticle deposition. A novel aspect of this scaffold lies in the use of the emeraldine salt of PANI as a molecular wire between TNTs and GNPs. Using horseradish peroxidase (HRP) as a model enzyme, voltammetric results demonstrated that direct electron transfer of HRP was achieved at both TNT-PANI and TNT-PANI-GNP-modified electrodes. More significantly, the catalytic reduction current of H{sub 2}O{sub 2} by HRP was ∼75% enhanced at the TNT-PANI-GNP-modified electrode, compared to that at the TNT-PANI-modified electrode. The heterogeneous electron transfer rate constant of HRP was found to be ∼3 times larger at the TNT-PANI-GNP-modified electrode than that at the TNT-PANI-modified electrode. Based on chronoamperometric detection of H{sub 2}O{sub 2}, a linear range from 1 to 1200 μM, a sensitivity of 22.7 μA mM{sup −1} and a detection limit of 0.13 μM were obtained at the TNT-PANI-GNP-modified electrode. The performance of the biosensor can be ascribed to the superior synergistic properties of the ternary composite. - Highlights: • A ternary TiO{sub 2} nanotube–polyaniline–gold nanoparticle composite was developed. • New synthetic route for ternary composite with a polyaniline molecular wire between TiO{sub 2} nanotubes and gold nanoparticles. • An electrochemical biosensor with ternary composite as a scaffold. • Ternary composite facilitated improved analytical performance of electrochemical biosensor.

  7. Automated procedure for candidate compound selection in GCMS metabolomics based on prediction of Kovats retention index

    NARCIS (Netherlands)

    Mihaleva, V.V.; Verhoeven, H.A.; Vos, de C.H.; Hall, R.D.; Ham, van R.C.H.J.

    2009-01-01

    Motivation: Matching both the retention index (RI) and the mass spectrum of an unknown compound against a mass spectral reference library provides strong evidence for a correct identification of that compound. Data on retention indices are, however, available for only a small fraction of the

  8. Luminescence of Ce doped oxygen crystalline compounds based on Hf and Ba

    CERN Document Server

    Borisevich, A E; Lecoq, P

    2003-01-01

    The luminescence properties of the Ce-doped hafnium and barium compounds have been investigated to determine their potential as heavy scintillation materials. Compounds have been prepared by solid state synthesis. All of them have shown a bright luminescence attributed to trivalent cerium. Emission bands are peaked in the 425-475nm spectral region at room temperature.

  9. Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : Ab initio study

    NARCIS (Netherlands)

    Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.

    2014-01-01

    In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure

  10. ThermoData Engine (TDE) software implementation of the dynamic data evaluation concept. 7. Ternary mixtures.

    Science.gov (United States)

    Diky, Vladimir; Chirico, Robert D; Muzny, Chris D; Kazakov, Andrei F; Kroenlein, Kenneth; Magee, Joseph W; Abdulagatov, Ilmutdin; Kang, Jeong Won; Frenkel, Michael

    2012-01-23

    ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported in this journal. The present paper describes the first application of this concept to the evaluation of thermophysical properties for ternary chemical systems. The method involves construction of Redlich-Kister type equations for individual properties (excess volume, thermal conductivity, viscosity, surface tension, and excess enthalpy) and activity coefficient models for phase equilibrium properties (vapor-liquid and liquid-liquid equilibrium). Constructed ternary models are based on those for the three pure component and three binary subsystems evaluated on demand through the TDE software algorithms. All models are described in detail, and extensions to the class structure of the program are provided. Reliable evaluation of properties for the binary subsystems is essential for successful property evaluations for ternary systems, and algorithms are described to aid appropriate parameter selection and fitting for the implemented activity coefficient models (NRTL, Wilson, Van Laar, Redlich-Kister, and UNIQUAC). Two activity coefficient models based on group contributions (original UNIFAC and NIST-KT-UNIFAC) are also implemented. Novel features of the user interface are shown, and directions for future enhancements are outlined.

  11. Design and implementation of the modified signed digit multiplication routine on a ternary optical computer.

    Science.gov (United States)

    Xu, Qun; Wang, Xianchao; Xu, Chao

    2017-06-01

    Multiplication with traditional electronic computers is faced with a low calculating accuracy and a long computation time delay. To overcome these problems, the modified signed digit (MSD) multiplication routine is established based on the MSD system and the carry-free adder. Also, its parallel algorithm and optimization techniques are studied in detail. With the help of a ternary optical computer's characteristics, the structured data processor is designed especially for the multiplication routine. Several ternary optical operators are constructed to perform M transformations and summations in parallel, which has accelerated the iterative process of multiplication. In particular, the routine allocates data bits of the ternary optical processor based on digits of multiplication input, so the accuracy of the calculation results can always satisfy the users. Finally, the routine is verified by simulation experiments, and the results are in full compliance with the expectations. Compared with an electronic computer, the MSD multiplication routine is not only good at dealing with large-value data and high-precision arithmetic, but also maintains lower power consumption and fewer calculating delays.

  12. Charge distribution in the ternary fragmentation of {sup 252}Cf

    Energy Technology Data Exchange (ETDEWEB)

    Senthil Kannan, M.T.; Balasubramaniam, M. [Bharathiar University, Department of Physics, Coimbatore (India)

    2017-08-15

    We present here, for the first time, a study on ternary fragmentation charge distribution of {sup 252}Cf using the convolution integral method and the statistical theory. The charge distribution for all possible charge combinations of a ternary breakup are grouped as a bin containing different mass partitions. Different bins corresponding to various third fragments with mass numbers from A{sub 3} = 16 to 84 are identified with the available experimental masses. The corresponding potential energy surfaces are calculated using the three cluster model for the two arrangements A{sub 1} + A{sub 2} + A{sub 3} and A{sub 1} + A{sub 3} + A{sub 2}. The ternary fragmentation yield values are calculated for the ternary combination from each bin possessing minimum potential energy. The yields of the resulting ternary combinations as a function of the charge numbers of the three fragments are analyzed for both the arrangements. The calculations are carried out at different excitation energies of the parent nucleus. For each excitation energy the temperature of the three fragments are iteratively computed conserving the total energy. The distribution of fragment temperatures corresponding to different excitation energies for some fixed third fragments are discussed. The presence of the closed shell nucleus Sn in the favourable ternary fragmentation is highlighted. (orig.)

  13. Impact of ternary blends of biodiesel on diesel engine performance

    Directory of Open Access Journals (Sweden)

    Prem Kumar

    2016-06-01

    Full Text Available The Pongamia and waste cooking oils are the main non edible oils for biodiesel production in India. The aim of the present work is to evaluate the fuel properties and investigate the impact on engine performance using Pongamia and waste cooking biodiesel and their ternary blend with diesel. The investigation of the fuel properties shows that Pongamia biodiesel and waste cooking biodiesel have poor cold flow property. This will lead to starting problem in the engine operation. To overcome this problem the ternary blends of diesel, waste cooking biodiesel and Pongamia biodiesel are prepared. The cloud and pour point for ternary blend, (WCB20:PB20:D60 were found to be 7 °C and 6.5 °C which are comparable to cloud and pour point of diesel 6 °C and 5 °C, respectively. The result of the test showed that brake specific fuel consumption for Pongamia biodiesel and waste cooking biodiesel is higher than ternary blend, (WCB20:PB20:D60 due to their lower energy content. The brake thermal efficiency of ternary blend and diesel is comparable while the Pongamia and waste cooking biodiesel have low efficiency. The result of investigation showed that ternary blend can be developed as alternate fuel.

  14. Potentiometric studies on ternary complexes involving some divalent transition metal ions, gallic acid and biologically abundant aliphatic dicarboxylic acids in aqueous solutions

    Directory of Open Access Journals (Sweden)

    Abdelatty Mohamed Radalla

    2015-06-01

    Full Text Available Formation of binary and ternary complexes of the divalent transition metal ions, Cu2+, Ni2+, Co2+ and Zn2+ with gallic acid and the biologically important aliphatic dicarboxylic acids (adipic, succinic, malic, malonic, maleic, tartaric and oxalic acids were investigated by means of the potentiometric technique at 25 °C and I = 0.10 mol dm−3 NaNO3. The acid-base properties of the ligands were investigated and discussed. The acidity constants of gallic acid and aliphatic dicarboxylic acids were determined and used for determining the stability constants of the binary and ternary complexes formed in the aqueous medium under the above experimental conditions. The formation of the different 1:1 and 1:2 binary complexes and 1:1:1 ternary complexes are inferred from the corresponding potentiometric pH-metric titration curves. The ternary complex formation was found to occur in a stepwise manner. The stability constants of these binary and ternary systems were calculated. The values of Δ log K, percentage of relative stabilization (%R.S. and log X were evaluated and discussed. The concentration distribution of the various complex species formed in solution was evaluated and discussed. The mode of chelation of ternary complexes formed was ascertained by conductivity measurements.

  15. Polarizable Empirical Force Field for Halogen-Containing Compounds Based on the Classical Drude Oscillator.

    Science.gov (United States)

    Lin, Fang-Yu; MacKerell, Alexander D

    2018-02-13

    The quality of the force field is crucial to ensure the accuracy of simulations used in molecular modeling, including computer-aided drug design (CADD). To perform more accurate modeling and simulations of halogenated molecules, in this study the polarizable force field based on the classical Drude oscillator model was extended to both aliphatic and aromatic systems using halogenated ethane and benzene model compounds for the halogens F, Cl, Br, and I. The force field parameters were optimized targeting quantum mechanical dipole moments, water interactions, and molecular polarizabilities as well as experimental observables, including enthalpies of vaporization, molecular volumes, hydration free energies, and dielectric constants. The developed halogenated polarizable force field is capable of reproducing QM relative energies and geometries of both halogen bonds and halogen-hydrogen bond donor interactions at an unprecedented level due to the inclusion of a virtual particle and anisotropic atomic polarizability on the halogen and, notably, the inclusion of Lennard-Jones parameters on the halogen Drude particle. The model was validated on the basis of its ability to accurately reproduce pure solvent properties for halogenated naphthalenes and alkanes, including species analogous to those used as refrigerants. Accordingly, it is anticipated that the model will be applicable for the study of halogenated derivatives in CADD as well as in other chemical and biophysical studies.

  16. Competitive adsorption of phenolic compounds from aqueous solution using sludge-based activated carbon.

    Science.gov (United States)

    Mohamed, E F; Andriantsiferana, C; Wilhelm, A M; Delmas, H

    2011-01-01

    Preparation of activated carbon from sewage sludge is a promising approach to produce cheap and efficient adsorbent for pollutants removal as well as to dispose of sewage sludge. The first objective of this study was to investigate the physical and chemical properties (BET surface area, ash and elemental content, surface functional groups by Boehm titration and weight loss by thermogravimetric analysis) of the sludge-based activated carbon (SBAC) so as to give a basic understanding of its structure and to compare to those of two commercial activated carbons, PICA S23 and F22. The second and main objective was to evaluate the performance of SBAC for single and competitive adsorption of four substituted phenols (p-nitrophenol, p-chlorophenol, p-hydroxy benzoic acid and phenol) from their aqueous solutions. The results indicated that, despite moderate micropore and mesopore surface areas, SBAC had remarkable adsorption capacity for phenols, though less than PICA carbons. Uptake of the phenolic compound was found to be dependent on both the porosity and surface chemistry of the carbons. Furthermore, the electronegativity and the hydrophobicity of the adsorbate have significant influence on the adsorption capacity. The Langmuir and Freundlich models were used for the mathematical description of the adsorption equilibrium for single-solute isotherms. Moreover, the Langmuir-Freundlich model gave satisfactory results for describing multicomponent system isotherms. The capacity of the studied activated carbons to adsorb phenols from a multi-solute system was in the following order: p-nitrophenol > p-chlorophenol > PHBA > phenol.

  17. Adsorption Thermodynamic Analysis of a Quartz Tuning Fork Based Sensor for Volatile Organic Compounds Detection.

    Science.gov (United States)

    Deng, Yue; Liu, Nai-Yuan; Tsow, Francis; Xian, Xiaojun; Forzani, Erica S

    2017-11-22

    A volatile organic compounds (VOC) sensor based on molecularly imprinted polymer (MIP) modified quartz tuning fork (QTF) has been developed. In this paper, the stability of the modified sensor as a function of the MIP composition, and the temperature effect of the analyte adsorption on the sensing transduction mechanism are evaluated. By mixing MIP and PS together, the stability was improved. A target analyte, o-xylene, was chosen as the VOC model to study the sensor response in a temperature range of 6-40 °C. Langmuir model fitted adsorption isotherms were used for thermodynamic analysis. The changes in the sensitivity of the QTF sensor to temperature rendered different behaviors. For a freshly modified QTF sensor, the adsorption response increased with increasing temperature, while for an aged QTF sensor, the adsorption response decreased with increasing temperature. The results indicated that the enthalpy change of the MIP and PS composition sensing material changes from positive to negative over the course of aging. The characterization of the reaction enabled the definition of sensor calibration conditions and stable sensor performance in field testing conditions.

  18. Speckle reduction process based on digital filtering and wavelet compounding in optical coherence tomography for dermatology

    Science.gov (United States)

    Gómez Valverde, Juan J.; Ortuño, Juan E.; Guerra, Pedro; Hermann, Boris; Zabihian, Behrooz; Rubio-Guivernau, José L.; Santos, Andrés.; Drexler, Wolfgang; Ledesma-Carbayo, Maria J.

    2015-07-01

    Optical Coherence Tomography (OCT) has shown a great potential as a complementary imaging tool in the diagnosis of skin diseases. Speckle noise is the most prominent artifact present in OCT images and could limit the interpretation and detection capabilities. In this work we propose a new speckle reduction process and compare it with various denoising filters with high edge-preserving potential, using several sets of dermatological OCT B-scans. To validate the performance we used a custom-designed spectral domain OCT and two different data set groups. The first group consisted in five datasets of a single B-scan captured N times (with N<20), the second were five 3D volumes of 25 Bscans. As quality metrics we used signal to noise (SNR), contrast to noise (CNR) and equivalent number of looks (ENL) ratios. Our results show that a process based on a combination of a 2D enhanced sigma digital filter and a wavelet compounding method achieves the best results in terms of the improvement of the quality metrics. In the first group of individual B-scans we achieved improvements in SNR, CNR and ENL of 16.87 dB, 2.19 and 328 respectively; for the 3D volume datasets the improvements were 15.65 dB, 3.44 and 1148. Our results suggest that the proposed enhancement process may significantly reduce speckle, increasing SNR, CNR and ENL and reducing the number of extra acquisitions of the same frame.

  19. Key volatile aroma compounds of lactic acid fermented malt based beverages - impact of lactic acid bacteria strains.

    Science.gov (United States)

    Nsogning Dongmo, Sorelle; Sacher, Bertram; Kollmannsberger, Hubert; Becker, Thomas

    2017-08-15

    This study aims to define the aroma composition and key aroma compounds of barley malt wort beverages produced from fermentation using six lactic acid bacteria (LAB) strains. Gas chromatography mass spectrometry-olfactometry and flame ionization detection was employed; key aroma compounds were determined by means of aroma extract dilution analysis. Fifty-six detected volatile compounds were similar among beverages. However, significant differences were observed in the concentration of individual compounds. Key aroma compounds (flavor dilution (FD) factors ≥16) were β-damascenone, furaneol, phenylacetic acid, 2-phenylethanol, 4-vinylguaiacol, sotolon, methional, vanillin, acetic acid, nor-furaneol, guaiacol and ethyl 2-methylbutanoate. Furthermore, acetaldehyde had the greatest odor activity value of up to 4266. Sensory analyses revealed large differences in the flavor profile. Beverage from L. plantarum Lp. 758 showed the highest FD factors in key aroma compounds and was correlated to fruity flavors. Therefore, we suggest that suitable LAB strain selection may improve the flavor of malt based beverages. Copyright © 2017 Elsevier Ltd. All rights reserved.

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

    Science.gov (United States)

    Merrill, Devin R.

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