Optical Behavior of Conjugated Pt-Containing Polymetallaynes Exposed to Gamma-Ray Radiation Doses

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Structural Changes of Conjugated Pt-Containing Polymetallaynes Exposed to Gamma Ray Radiation Doses

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

A fully adaptive multiresolution scheme for shock computations

The scheme is based on Ami Harten's ideas (Harten, 1994), the main tools coming from wavelet theory, in the framework of multiresolution analysis for cell averages. But instead of evolving cell averages on the finest uniform level, we propose to evolve just the cell averages on the grid determined by the significant wavelet coefficients. Typically, there are few cells in each time step, big cells on smooth regions, and smaller ones close to irregularities of the solution. For the numerical flux, we use a simple uniform central finite difference scheme, adapted to the size of each cell. If any of the required neighboring cell averages is not present, it is interpolated from coarser scales. But we switch to ENO scheme in the finest part of the grids. To show the feasibility and efficiency of the method, it is applied to a system arising in polymer-flooding of an oil reservoir. In terms of CPU time and memory requirements, it outperforms Harten's multiresolution algorithm.The proposed method applies to systems of conservation laws in 1Dpartial derivative(t)u(x, t) + partial derivative(x)f(u(x, t)) = 0, u(x, t) is an element of R-m. (1)In the spirit of finite volume methods, we shall consider the explicit schemeupsilon(mu)(n+1) = upsilon(mu)(n) - Deltat/hmu ((f) over bar (mu) - (f) over bar (mu)-) = [Dupsilon(n)](mu), (2)where mu is a point of an irregular grid Gamma, mu(-) is the left neighbor of A in Gamma, upsilon(mu)(n) approximate to 1/mu-mu(-) integral(mu-)(mu) u(x, t(n))dx are approximated cell averages of the solution, (f) over bar (mu) = (f) over bar (mu)(upsilon(n)) are the numerical fluxes, and D is the numerical evolution operator of the scheme.According to the definition of (f) over bar (mu), several schemes of this type have been proposed and successfully applied (LeVeque, 1990). Godunov, Lax-Wendroff, and ENO are some of the popular names. Godunov scheme resolves well the shocks, but accuracy (of first order) is poor in smooth regions. Lax-Wendroff is of second order, but produces dangerous oscillations close to shocks. ENO schemes are good alternatives, with high order and without serious oscillations. But the price is high computational cost.Ami Harten proposed in (Harten, 1994) a simple strategy to save expensive ENO flux calculations. The basic tools come from multiresolution analysis for cell averages on uniform grids, and the principle is that wavelet coefficients can be used for the characterization of local smoothness.. Typically, only few wavelet coefficients are significant. At the finest level, they indicate discontinuity points, where ENO numerical fluxes are computed exactly. Elsewhere, cheaper fluxes can be safely used, or just interpolated from coarser scales. Different applications of this principle have been explored by several authors, see for example (G-Muller and Muller, 1998).Our scheme also uses Ami Harten's ideas. But instead of evolving the cell averages on the finest uniform level, we propose to evolve the cell averages on sparse grids associated with the significant wavelet coefficients. This means that the total number of cells is small, with big cells in smooth regions and smaller ones close to irregularities. This task requires improved new tools, which are described next.

Thermoanalytical study of purine derivatives compounds

Os métodos térmicos em análises estão sendo atualmente muito utilizados nas investigações cientificas. Neste trabalho a termogravimetria-análise térmica diferencial simultânea (TG-DTA), difratometria de raios X pelo método do pó, espectroscopia de absorção na região do infravermelho foram utilizadas para estudar os compostos derivados da purina. Sendo estes: aminofilina. teofilina, cafeína e ácido úrico. Os resultados forneceram informações com respeito à estabilidade térmica e decomposição térmica sobre esses compostos.

Fully Relativistic 4-Components DFT Investigation on Bonding and Dissociation Energy of HgO

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

Thermo-analyses of polyaniline and its derivatives

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Sistema de aquisição de dados para estudos de transiente de pressão e detecção de vazamentos em oleodutos

In February 2011, the National Agency of Petroleum, Natural Gas and Biofuels (ANP) has published a new Technical Rules for Handling Land Pipeline Petroleum and Natural Gas Derivatives (RTDT). Among other things, the RTDT made compulsory the use of monitoring systems and leak detection in all onshore pipelines in the country. This document provides a study on the method for detection of transient pressure. The study was conducted on a industrial duct 16" diameter and 9.8 km long. The pipeline is fully pressurized and carries a multiphase mixture of crude oil, water and natural gas. For the study, was built an infrastructure for data acquisition and validation of detection algorithms. The system was designed with SCADA architecture. Piezoresistive sensors were installed at the ends of the duct and Digital Signal Processors (DSPs) were used for sampling, storage and processing of data. The study was based on simulations of leaks through valves and search for patterns that characterize the occurrence of such phenomena

Comparison of the gastroprotective effect of a diterpene lactone isolated from Croton cajucara with its synthetic derivatives

The effect of three new derivatives from dehydrocrotonin (DHC-compound I) on gastric damage indifferent animal models including gastric ulceration induced by a necrotic agent and hypothermic restrained-stress was studied: compound 11 (produced by reducing the cyclohexenone moiety of DHC with NaBH4): compound III (produced by reducing the carbonyls with LiAlH4); and compound IV (produced by transforming the lactone moiety into an amide). Their structures were confirmed on the basis of chemical and physicochemical evidence. When previously administered (p.o.) at a dose of 100 mg/kg, compound II significantly (P < 0.01) reduced gastric injury induced by HCl/ethanol (78%) and indomethacin (88%) better than did reference compound 1 (48 and 43%, respectively). But the anti-ulcerogenic activity of compound II was completely abolished by the stress-induced ulcer. Reduction of carbonyls with LiAlH4 (compound 111) caused decreased activity, markedly when no protective effect in any of the models was applied (P > 0.05). However, compound IV, in which the lactone moiety was changed into an amide. when administered at the same dose (100 mg/kg, p.o.), was more effective. The presence of a lactone moiety or Michael acceptor is probably essential for the anti-ulcerogenic effect of these compounds. (C) 2003 Elsevier B.V. Ireland Ltd. All rights reserved.

Cytotoxic effects of permethrin in oocytes of Rhipicephalus sanguineus (Acari: Ixodidae) fully engorged females: I. Direct or indirect action of the acaricide in germ cells?

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

Tetrachlorocarbonyliridates: Water-Soluble Carbon Monoxide Releasing Molecules Rate-Modulated by the Sixth Ligand

A new family of compounds is presented as potential carbon monoxide releasing molecules (CORMs). These compounds, based on tetrachlorocarbonyliridate(III) derivatives, were synthesized and fully characterized by X-ray diffraction, electrospray mass spectrometry, IR. NMR, and density functional theory calculations. The rate of CO release was studied via the myoglobin assay. The results showed that the rate depends on the nature of the sixth ligand, trans to CO, and that a significant modulation on the release rate can be produced by changing the ligand. The reported compounds are soluble in aqueous media, and the rates of CO release are comparable with those for known CORMs, releasing CO at a rate of 0.03-0.58 mu M min(-1) in a 10 mu M solution of myoglobin and 10 mu M of the complexes.

Inequalities for zeros of associated polynomials and derivatives of orthogonal polynomials

It is well known and easy to see that the zeros of both the associated polynomial and the derivative of an orthogonal polynomial p(n)(x) interlace with the zeros of p(n)(x) itself. The natural question of how these zeros interlace is under discussion. We give a sufficient condition for the mutual location of kth, 1 less than or equal to k less than or equal to n - 1, zeros of the associated polynomial and the derivative of an orthogonal polynomial in terms of inequalities for the corresponding Cotes numbers. Applications to the zeros of the associated polynomials and the derivatives of the classical orthogonal polynomials are provided. Various inequalities for zeros of higher order associated polynomials and higher order derivatives of orthogonal polynomials are proved. The results involve both classical and discrete orthogonal polynomials, where, in the discrete case, the differential operator is substituted by the difference operator. (C) 2001 IMACS. Published by Elsevier B.V. B.V. All rights reserved.

Application of abrupt cut-off models in the analysis of the capacitance spectra of conjugated polymer devices

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

Interaction of amphiphilic derivatives of chitosan with DPPC (1,2-dipalmitoyl-sn-glycero-3-phosphocholine)

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