Neutron Diffraction Study of Liquid N-Methylformamide Using EPSR Simulation

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Electrochemical Behavior of Cu-9% Al-5% Ni-2% Mn Alloy in Chloride Media

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Near-infrared Kerr nonlinearity of Pb(PO3)(2)-WO3 glasses

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Influence of TiO2 and AI(2)O(3) on the electrical and microstructural properties of SnO2 ceramics obtained by the Pechini method

Tin oxide has wakened up great scientific and technological interest for its potential use in varistors production and as gas sensor. In order to improve the microstructural and electrical properties in SnO2 varistor ceramics, the influence of differents dopants used, like TiO2 and Al2O3, is under research. The effect of TiO2 and Al2O3 on the properties of Sn-Co-Nb varistor systems obtained by the Pechini method has been investigated in this work. Characterization of synthesized raw material was performed by X-Ray Diffraction (XRD) and Scanning Electronic Microscopy (SEM). The microstructural and electrical characterization of sintered samples show that the TiO2 favors the grain growth and the Al2O3 contributes to the decrease it, effect that is manifested in the Sn-Co-Nb varistor systems. Breakdown field increase up to 6300V/cm with increasing Al2O3 content and non-linear coefficients with alpha=22 were obtained.

Methyl- and phenylmercury(II) derivatives of 2-mercaptobenzothiazole. Crystal structure of (2-mercaptobenzothiazolato)methylmercury(II)

The complexes MeHgL and PhHgL (HL = 2-mercaptobenzothiazole) have been obtained from the reaction of the ligand with methylmercury hydroxide and phenylmercury acetate, respectively, in methanol. MeHgL, which has been characterized by single-crystal X-ray diffraction analysis (crystal data: triclinic, space group P1, with a = 8.009 (4) Å, b = 10.042 (4) Å, c = 13.074 (3) Å, α = 101.25 (2)°, β = 102.61(3)°, γ = 101.42 (3)°, R = 0.067), crystallizes with two independent molecules, I and I′, contained in each asymmetric unit with a coordination geometry based on the almost linear C-Hg-S group (Hg-S = 2.369 (6) Å, Hg-C = 2.06 (2) Å, and C-Hg-S = 177.7 (7)° for I; Hg-S = 2.375 (6) Å, Hg-C = 2.10 (3) Å, and C-Hg-S = 178.8 (6)° for I′). A secondary intramolecular interaction between the mercury atom and the C=N group of the ring and some weak intermolecular interactions between the metal and sulfur atoms were also found. The vibrational spectra of this compound and the phenylmercury(II) compound are discussed in light of the crystal structure. Diagnostic criteria of the bonding modes for the ligand are assessed. © 1985 American Chemical Society.

Nonlinear (2+1)-dimensional systems solvable through asymptotic modules

Some nonlinear differential systems in (2+1) dimensions are characterized by means of asymptotic modules involving two poles and a ring of linear differential operators with scalar coefficients.Rational and soliton-like are exhibited. If these coefficients are rational functions, the formalism leads to nonlinear evolution equations with constraints. © 1989.

Mercury(II) and thallium(III) organometallic derivatives of 2-Mercaptobenzoxazole

Some derivatives of 2-mercaptobenzoxazole (HL) of the type MRnL [M = Hg or Tl, R = Me or Ph and n = 1 (Hg) or 2 (Tl)] have been prepared. The structure of HgMeL has been determined by an X-ray diffraction study; in the crystal there are two independent planar molecules in each asymmetric unit, with the ligand in its thiolic form and an almost linear CHgS linkage. Weak intramolecular and intermolecular secondary interactions complement the mercurysulphur bond. The spectroscopic (IR, Raman, mass, 13C-NMR), conductimetric, and dipolar properties of this and the other compounds are discussed. © 1991.

Extended states in disordered doped polyacetylene chains

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

On non-linear W-infinity symmetry of generalized Liouville and conformal Toda models

Invariance under non-linear Ŵ∞ algebra is shown for the two-boson Liouville type of model and its algebraic generalizations, the extended conformal Toda models. The realization of the corresponding generators in terms of two boson currents within KP hierarchy is presented.

Structures of the noncovalent complexes of human and bovine prothrombin fragment 2 with human PPACK-thrombin

Both human and bovine prothrombin fragment 2 (the second kringle) have been cocrystallized separately with human PPACK (D-Phe-Pro-Arg)-thrombin, and the structures of these noncovalent complexes have been determined and refined (R = 0.155 and 0.157, respectively) at 3.3-Å resolution using X-ray crystallographic methods. The kringles interact with thrombin at a site that has previously been proposed to be the heparin binding region. The latter is a highly electropositive surface near the C-terminal helix of thrombin abundant in arginine and lysine residues. These form salt bridges with acidic side chains of kringle 2. Somewhat unexpectedly, the negative groups of the kringle correspond to an enlarged anionic center of the lysine binding site of lysine binding kringles such as plasminogens K1 and K4 and TPA K2. The anionic motif is DGDEE in prothrombin kringle 2. The corresponding cationic center of the lysine binding site region has an unfavorable Arg70Asp substitution, but Lys35 is conserved. However, the folding of fragment 2 is different from that of prothrombin kringle 1 and other kringles: the second outer loop possesses a distorted two-turn helix, and the hairpin β-turn of the second inner loop pivots at Val64 and Asp70 by 60°. Lys35 is located on a turn of the helix, which causes it to project into solvent space in the fragment 2-thrombin complex, thereby devastating any vestige of the cationic center of the lysine binding site. Since fragment 2 has not been reported to bind lysine, it most likely has a different inherent folding conformation for the second outer loop, as has also been observed to be the case with TPA K2 and the urokinase kringle. The movement of the Val64-Asp70 β-turn is most likely a conformational change accompanying complexation, which reveals a new heretofore unsuspected flexibility in kringles. The fragment 2-thrombin complex is only the second cassette module-catalytic domain structure to be determined for a multidomain blood protein and only the third domain-domain interaction to be described among such proteins, the others being factor Xa without a Gla domain and Ca2+ prothrombin fragment 1 with a Gla domain and a kringle. © 1993 American Chemical Society.

Unrestricted linear dimensional changes of two hard chairside reline resins and one heat-curing acrylic resin

The selection and use of hard chairside reline resins must be made with regard to dimensional stability, which will influence the accuracy of fit of the denture base. This study compared the dimensional change of two hard chairside reline resins (Duraliner II and Kooliner) and one heat-curing denture base resin (Lucitone 550). A stainless steel mold with reference dimensions (AB, CD) was used to obtain the samples. The materials were processed according to the manufacturer's recommendations. Measurements of the dimensions were made after processing and after the samples had been stored in distilled water at 37° C for eight different periods of time. The data were recorded and then analyzed with analysis of variance. All materials showed shrinkage immediately after processing (p < 0.05). The only resin that exhibited shrinkage after 60 days of storage in water was Duraliner II; these changes could be clinically significant in regard of tissue fit.

A study about the solutions of Schrödinger equation with an asymptotically linear potential

We determine the solutions of the Schrödinger equation for an asymptotically linear potential. Analytical solutions are obtained by superalgebra in quantum mechanics and we establish when these solutions are possible. Numerical solutions for the spectra are obtained by the shifted 1/N expansion method.

Towards an intelligent graphical interface for linear programming modelling

The increase of computing power of the microcomputers has stimulated the building of direct manipulation interfaces that allow graphical representation of Linear Programming (LP) models. This work discusses the components of such a graphical interface as the basis for a system to assist users in the process of formulating LP problems. In essence, this work proposes a methodology which considers the modelling task as divided into three stages which are specification of the Data Model, the Conceptual Model and the LP Model. The necessity for using Artificial Intelligence techniques in the problem conceptualisation and to help the model formulation task is illustrated.

Algorithms for network piecewise-linear programs: A comparative study

Piecewise-Linear Programming (PLP) is an important area of Mathematical Programming and concerns the minimisation of a convex separable piecewise-linear objective function, subject to linear constraints. In this paper a subarea of PLP called Network Piecewise-Linear Programming (NPLP) is explored. The paper presents four specialised algorithms for NPLP: (Strongly Feasible) Primal Simplex, Dual Method, Out-of-Kilter and (Strongly Polynomial) Cost-Scaling and their relative efficiency is studied. A statistically designed experiment is used to perform a computational comparison of the algorithms. The response variable observed in the experiment is the CPU time to solve randomly generated network piecewise-linear problems classified according to problem class (Transportation, Transshipment and Circulation), problem size, extent of capacitation, and number of breakpoints per arc. Results and conclusions on performance of the algorithms are reported.

Discriminating new physics scenarios at the Next Linear Collider: The role of polarization

We explore the potential of the Next Linear Collider, operating in the e γ mode, to disentangle new physics scenarios in single W production. We study the effects related to the exchange of composite fermions in the reaction e γ→Wνe, and compare them with those arising from trilinear gauge boson anomalous couplings. We stress the role played by the initial state polarization to increase the reach of this machine and to discriminate the possible origin of the new phenomena.