Showing papers on "Ternary operation published in 1998"
TL;DR: These structures provide the first direct evidence in DNA polymerase I enzymes of a large conformational change responsible for assembling an active ternary complex.
Abstract: The crystal structures of two ternary complexes of the large fragment of Thermus aquaticus DNA polymerase I (Klentaq1) with a primer/template DNA and dideoxycytidine triphosphate, and that of a binary complex of the same enzyme with a primer/template DNA, were determined to a resolution of 2.3, 2.3 and 2.5 A, respectively. One ternary complex structure differs markedly from the two other structures by a large reorientation of the tip of the fingers domain. This structure, designated ‘closed’, represents the ternary polymerase complex caught in the act of incorporating a nucleotide. In the two other structures, the tip of the fingers domain is rotated outward by 46° (‘open’) in an orientation similar to that of the apo form of Klentaq1. These structures provide the first direct evidence in DNA polymerase I enzymes of a large conformational change responsible for assembling an active ternary complex.
691 citations
TL;DR: In this paper, a colloid method was used to synthesize polymetallic PEM catalysts for anodic anodic oxidation of H2 containing 150ppm CO and of methanol.
449 citations
TL;DR: In this article, the bifunctional model for methanol electro-oxidation suggests that competent catalysts should contain at least two types of surface elements: those that bind methanoline and activate its C−H bonds and those that adsorb and activate water.
Abstract: The bifunctional model for methanol electro-oxidation suggests that competent catalysts should contain at least two types of surface elements: those that bind methanol and activate its C−H bonds and those that adsorb and activate water. Our previous work considered phase equilibria and relative Pt−C and M−O (M = Ru, Os) bond strengths in predicting improved activity among single-phase Pt−Ru−Os ternary alloys. By addition of a correlation with M−C bond strengths (M = Pt, Ir), it is possible to rationalize the recent combinatorial discovery of further improved Pt−Ru−Os−Ir quaternaries. X-ray diffraction experiments show that these quaternary catalysts are composed primarily of a nanocrystalline face-centered cubic (fcc) phase, in combination with an amorphous minor component. For catalysts of relatively high Ru content, the lattice parameter deviates positively from that of the corresponding arc-melted fcc alloy, suggesting that the nanocrystalline fcc phase is Pt-rich. Anode catalyst polarization curves i...
380 citations
TL;DR: The chemistry of ternary and higher transition metal nitrides is reviewed in this article with a special focus on developments of the last two years (1996 and 1997) with special emphasis on the development of gallium nitride single crystals.
Abstract: The chemistry of ternary nitrides is reviewed with special focus on developments of the last two years (1996 and 1997). In particular, structures and properties of ternary and higher transition metal nitrides, main group nitrides, subnitrides, and nitride halides are compared, and a section on thermodynamics of ternary nitrides is included. Finally, methods for the preparation of gallium nitride single crystals are summarized.
263 citations
TL;DR: In this article, a modified statistical associating fluid theory (SAFT) equation of state has been applied to predict the phase equilibria behavior of binary and ternary mixtures.
Abstract: A modified statistical associating fluid theory (SAFT) equation of state has been applied to predict the phase equilibria behavior of binary and ternary mixtures. In order to study multicomponent s...
254 citations
TL;DR: In this paper, the effects of block composition on the self-assembly and resulting microstructure of amphiphilic block copolymers in the presence of selective solvents (water and oil) were examined.
Abstract: The study addresses the effects of block composition on the self-assembly (and resulting microstructure) of amphiphilic block copolymers in the presence of selective solvents (“water” and “oil”) by examining the ternary phase behavior and structure of two copolymers, E20P70E20 and E100P70E100, having the same block architecture (ExPyEx) and P:poly(propylene oxide) middle-block size but different E:poly(ethylene oxide) end-block sizes (Pluronic P123, E20P70E20, contains 30% E and Pluronic F127, E100P70E100, 70% E). A characterization (using SAXS and deuterium NMR) of the ternary isothermal (25 °C) E20P70E20−butyl acetate−water and E20P70E20−butanol−water systems is presented first. A variety of lyotropic liquid-crystalline (LLC) phases are thermodynamically stable in the former (butyl acetate) system, both of the “normal” (oil-in-water) and of the “reverse” (water-in-oil) morphology. In the latter (butanol) system, the reverse LLC phases are not stable but are replaced by an extensive water-lean solution r...
243 citations
TL;DR: In this paper, a wide range of both equilibrium and metastable binary Al-Fe and ternary AlFe-Si is examined. But the authors focus on the range of AlFe and Al-Si-Si.
197 citations
TL;DR: In this paper, the ternary τ-phase is modelled according to its crystal structure with cubic symmetry as (Mg) 26 ( Mg, Al) 6 ( Al, Zn, Mg) 48 (Al) 1 in the compound-energy-formalism.
188 citations
TL;DR: In this paper, the effect of elastic strain in epitaxial InGaN layers coherently grown on GaN wafers on spinodal decomposition of the ternary compound is examined.
Abstract: The effect of elastic strain in epitaxial InGaN layers coherently grown on GaN wafers on spinodal decomposition of the ternary compound is examined. The effect results in considerable suppression of phase separation in the strained InGaN layers. To predict correctly the position of the miscibility gap in the T-x diagram it is important to take into account the compositional dependence of the elastic constants of the ternary compound. The contribution of the elastic strain to the Gibbs free energy of InGaN is calculated assuming uniform compression of the epitaxial layer with respect to the underlying GaN wafer. The interaction of binary constituents in the solid phase is accounted for on the base of regular solution model. The enthalpy of mixing is estimated using the Valence Force Field approximation. The strain effect becomes stronger with increasing In content in the InGaN. As a result the miscibility gap shifts remarkably into the area of higher InN concentration and becomes of asymmetrical shape. Various growth surface orientations and the type of crystalline structure (wurtzite or sphalerite) provide different effects of the elastic strain on phase separation in ternary compounds.
165 citations
TL;DR: Two components of an amorphous solid mixture containing citric acid and indomethacin with limited solid state miscibility can be solublized as an amomorphous solid phase by the addition of moderate levels of PVP.
Abstract: Purpose To better understand the nature of drug-excipient interactions we have studied the phase behavior of amorphous binary and ternary mixtures of citric acid, indomethacin and PVP, as model systems
154 citations
TL;DR: In this paper, the phase equilibria between the phases α (A1), β (A2, B2 or L21(D03)) and γ (γ-bronze type), and the two-stage order-disorder transition and decomposition reaction A2-B2-L21 in the ternary system Cu-Al-Mn are reported.
TL;DR: In this article, the authors compared the thermodynamic efficiency of five ternary distillation configurations to distill ideal saturated liquids into pure product streams and found that the modified direct and indirect split configurations together provided the most thermodynamically efficient configuration for more feed compositions and relative volatilities than the three thermally coupled column configurations.
Abstract: The thermodynamic efficiency of five ternary distillation configurations to distill ideal saturated liquids into pure product streams are calculated and compared. A striking result of this study is that for the fully coupled column (Petlyuk) configuration, which is known to have the lowest heat demand for ternary distillation, the range of values of feed composition and relative volatilities for which it is the most thermodynamically efficient configuration is quite limited. Among the three thermally coupled column configurations, the side-rectifier and side-stripper configurations tend to provide the most efficient configuration more often than the fully coupled configuration. Generally, the modified direct and indirect split configurations together provide the most thermodynamically efficient configuration for more feed compositions and relative volatilities than do the three thermally coupled column configurations. The high thermodynamic efficiency of these two configurations is primarily due to their ...
TL;DR: In this paper, the phase, texture and lattice parameter were determined by X-ray diffraction analysis of chromium-based ternary transition metal nitrides Cr12xMexNy (CrMoN), CrTiN, CrWN and CrNbN).
TL;DR: A series of binary and ternary rare earth (Gd, Eu, Tb) complexes with aromatic acids and 1,10-phenanthroline have been synthesized by measuring the phosphorescence spectra of binary gadolinium complexes as mentioned in this paper.
Abstract: A series of binary and ternary rare earth (Gd, Eu, Tb) complexes with aromatic acids and 1,10-phenanthroline have been synthesized. The lowest triplet state energies of ligands have been obtained by measuring the phosphorescence spectra of binary gadolinium complexes. By comparing the phosphorescence spectra of binary complexes with those of ternary ones, it is found that there exists another intramolecular energy transfer process from the aromatic acids to 1,10-phenanthroline besides the intramolecular energy transfer process between the aromatic acids and the central rare earth ions. The intramolecular energy transfer efficiencies have been calculated by determining phosphorescence lifetimes of binary and ternary gadolinium complexes. The luminescence properties of corresponding europium and terbium complexes are in agreement with the prediction based on energy transfer mechanism.
TL;DR: In this paper, the electronic structure of NiAl and FeAl doped with ternary additions in both sublattices has been investigated with the local density linear muffin-tin orbital (LMTO) method.
TL;DR: In this article, a set of 23 ternary and quaternary sulfide minerals have been measured by diffuse reflectance spectroscopy and compared with band gaps determined by single-crystal methods for 12 binary sulfides.
Abstract: Optical band gaps for a set of 23 ternary and quaternary sulfide minerals have been measured by diffuse reflectance spectroscopy. Comparison of band gaps measured by diffuse reflectance with band gaps determined by single-crystal methods for 12 binary sulfides demonstrates that the diffuse reflectance measurement produces results accurate to within 0.1 eV. Unlike the band gaps of binary sulfides that plot linearly with various measures of bond energy, the ternary and quaternary sulfides cluster within ranges determined by the chemical composition. The band gaps for the ternary and quaternary sulfides tend to lie between the band gaps of the component binary sulfides.
01 Feb 1998-Metallurgical and Materials Transactions B-process Metallurgy and Materials Processing Science
TL;DR: In this article, a structurally related model for the calculation of viscosity of silicate melts is proposed based on the general behavior of the viscosities of binary silicates melts.
Abstract: A structurally related model for the calculation of the viscosity of silicate melts is proposed based on the general behavior of the viscosity of binary silicate melts. It relates viscosity to the degree of polymerization, as represented by the three types of oxygen in the melts. The model parameters for binary systems were optimized to give best fit to the experimental values. For ternary systems, it was assumed as a first approximation that the model parameters were linear functions of the parameters of the two binary silicate systems. The model has been applied to the CaO-SiO2, MgO-SiO2, and MnO-SiO2 binary systems and the CaO-MgO-SiO2 and CaO-MnO-SiO2 ternary systems. Good agreement was obtained between calculated values and experimental data over the composition and temperature ranges in which experimental data exist. Comparison was made between the present model and the Urbain model. The present model has the capability of representing changes in viscosity due to substitution of cation species in silicate melts.
TL;DR: In this article, a new spectrophotometric method was developed for the simultaneous analysis of a ternary mixture, without prior separation, which is based on the use of the derivative of the ratio spectrum obtained by dividing the absorption spectrum of the mixture by a standard spectrum of a mixture of two of the three compounds in the title mixture.
TL;DR: In this paper, the heat of formation for binary and ternary 3D transition-metal (Ti, V, Fe, and Ni) aluminides is calculated from first principles within the local density approximation.
Abstract: The heats of formation for binary and ternary 3d transition-metal (Ti, V, Fe, and Ni) aluminides are calculated from first principles within the local density approximation. The calculated heats for Ti and Ni aluminides are typically within {approximately}0.02 eV/atom of the experimental values, while the Fe aluminides heats appear to be overestimated by {approximately}0.15 eV/atom. This discrepancy appears to be related to the local density underestimation of the on-site magnetic energy in elemental Fe that enters the alloy heat of formation. The stabilities of selected ternary phases are also discussed, and it is shown that sublattice disorder may stabilize some ternary phases. {copyright} {ital 1998} {ital The American Physical Society}
TL;DR: In this article, the phase separation of the alpha-Fe alloys of the Fe-Al-Ti system has been investigated by differential scanning calorimetry (DSC), transmission electron microscopy (TEM) and electron-probe microanalysis (EPMA).
TL;DR: In this paper, a diffraction analysis in the transmission electron microscope was carried out on InxGa1−xN layers grown on (0001) sapphire by metalorganic vapor phase epitaxy on top of thick GaN buffer layers.
Abstract: A diffraction analysis in the transmission electron microscope was carried out on InxGa1−xN layers grown on (0001) sapphire by metalorganic vapor phase epitaxy on top of thick GaN buffer layers. It is found that the ternary InxGa1−xN layers can be chemically ordered. The In and Ga atoms occupy, respectively, the two simple hexagonal sublattice sites related by the glide mirrors and helicoidal axes of the P63 mc symmetry group of the wurtzite GaN. The symmetry of the ordered ternary is subsequently lowered by the disappearance of these operations, and it is shown to agree with the P3ml space group.
TL;DR: In this paper, the growth of large (up to 0.5 cm3) single-grain R-Mg-Zn quasicrystals from a ternary melt is described in detail.
Abstract: The growth of large (up to 0.5 cm3). single-grain R-Mg-Zn quasicrystals (R = Y, Er, Ho, Dy and Tb) from a ternary melt is described in detail. The quasicrystals grown by this technique have a composition R8.7Mg34.6Zn56.8, are thermodynamically stable and have a dodecahedral morphology with clearly visible pentagonal facets. The quasicrystalline phase has been examined by X-ray diffaction, high-resolution transmission electron microscopy, elemental analysis and transport measurements. In addition, results are presented for a closely related ternary crystalline phase.
TL;DR: In this article, new thermodynamic solution phase data have been optimized for the Fe-Si-C system to improve the correlation between experiments and calculations obtained in an earlier assessment, and new values were optimized for a binary FeSi interaction parameter of liquid phase and ternary FeSi-Si interaction parameters of liquid, bcc and fcc phases applying experimental measurements on mixing enthalpies, solute activities, phase equilibria and solute partition.
Abstract: New thermodynamic solution phase data have been optimized for the Fe-Si-C system to improve the correlation between experiments and calculations obtained in an earlier assessment. New values were optimized for a binary Fe-Si interaction parameter of liquid phase and ternary Fe-Si-C interaction parameters of liquid, bcc and fcc phases applying experimental measurements on mixing enthalpies, solute activities, phase equilibria and solute partition.
TL;DR: In this article, the phase behavior of a mixture of water and a hydrophilic organic solvent is modelled using the Peng-Robinson equation of state with several mixing rules and a short description of the mathematical tools for such phase equilibrium calculations is given.
Abstract: Mixtures of water and a hydrophilic organic solvent, e.g. an alcohol, a ketone, or a carboxylic acid, reveal a complex phase behaviour when pressurized with near critical carbon dioxide at temperatures near the critical temperature of carbon dioxide. Although water and the hydrocarbonaceous solvent are completely miscible, by pressurization with carbon dioxide a liquid–liquid phase split is observed, resulting in a ternary liquid–liquid–vapor equilibrium. In some cases even a four-phase equilibrium is observed. Such equilibria are discussed for systems with the organic solvents methanol, ethanol, 1-propanol, 2-propanol, acetone and propionic acid. That phase behaviour is modelled using the Peng–Robinson equation of state with several mixing rules. A short description of the mathematical tools for such phase equilibrium calculations is given. From pure component and binary data alone, the calculations usually result in a qualitative agreement with the experimental data, i.e. typical effects like for example the existence of ternary critical endpoint lines and tricritical points can be predicted. However, in most cases the quantitative agreement with experimental results is poor. It can be considerably improved by fitting some interaction parameters to ternary high-pressure three-phase equilibrium data.
TL;DR: The upper bounds are obtained by applying the linear programming bound to the product of two association schemes and the lower bounds arise from a number of different constructions.
Abstract: Upper and lower bounds are presented for the maximal possible size of mixed binary/ternary error-correcting codes. A table up to length 13 is included. The upper bounds are obtained by applying the linear programming bound to the product of two association schemes. The lower bounds arise from a number of different constructions.
TL;DR: In this paper, a model approach to examine possible reaction mechanisms in an environmentally important ternary metal−ligand−mineral surface system was presented to examine the influence of a poorly crystal lized kaolinite (KGa-2) on trace metal adsorption.
Abstract: Hexanoic (hex) and fulvic acid (FA), representing early and later stages of landfill leachate evolution, were examined for influence on trace metal adsorption by a poorly crystal lized kaolinite (KGa-2). Our experiments represented a model approach to examine possible reaction mechanisms in an environmentally important ternary metal−ligand−mineral surface system. Batch experiments were conducted in 0.01 mol kg-1 NaClO4 at pH 3−8. Concentrations of metals (Cu, Cd, and Pb) and ligands were representative of those found typically in groundwater immediately downgradient of a landfill. The presence of FA resulted in enhancement of metal adsorption below pH 5, whereas the presence of hex produced no significant net change in metal uptake. Measured surface charge properties of KGa-2 were combined with binary and ternary system data in constructing a quantitative model of the system. The simple combination of binary system results was not effective in predicting the observed ternary system behavior. In both terna...
TL;DR: A large number of ternary hydrides of transition metals and alkali or alkaline earth metals have been synthesized and structurally characterized in the last twenty years as discussed by the authors.
Abstract: A large number of ternary hydrides of transition metals and alkali or alkaline earth metals have been synthesized and structurally characterized in the last twenty years. These compounds exhibit a puzzling variety of compositions, transition metal coordination numbers, transition metal coordination geometries, and distribution of hydrides within and outside of the transition metal coordination sphere. Valence Bond (VB) concepts form a theoretical framework for understanding, at least partially, some of the dominant trends observed among various transition metal hydride structures. Extrapolation of these concepts suggests that synthesis of ternary metal hydrides with formal electron counts at the transition metal exceeding 18 electrons may be feasible.
TL;DR: In this article, ternary oxides were prepared by coating commercial Al 2 O 3 and SiO 2 with a THF solution of Ti(OPr i ) 4 and Zr( OPr i ), under controlled conditions.
TL;DR: A ternary in situ metal matrix composite consisting of Cu, 8.2% Ag and 4% Nb was produced by inductive melting, casting, and subsequent wire drawing as mentioned in this paper.