The generator coordinate method for a reaction coordinate coupled to a harmonic oscillator bath

This paper investigates the usefulness of the generator coordinate method (GCM) for treating the dynamics of a reaction coordinate coupled to a bath of harmonic degrees of freedom. Models for the unimolecular dissociation and isomerization process (proton transfer) are analyzed. The GCM results, presented in analytical form, provide a very good description and are compared to other methods Like the basis set method and multiconfiguration time dependent self-consistent field. (C) 1998 American Institute of Physics. [S0021-9606(98)50934-8].

Black-hole back-reaction - a toy model

Using a kink of arbitrary shape as a toy model for a black hole ( horizon), we study the back-reaction of the evaporation process and find that the horizon is always pushed back ( as in the gravitational case). The associated heat capacity and entropy variation, on the other hand, can be positive or negative, depending on the parameters.

The reaction (p)over-barp -> (Lambda)over-bar(c)(-)Lambda(+)(c) close to threshold

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Charmed meson rescattering in the reaction pd -> DDN

We examine possibility to extract information about the DN and DN interactious from the pd -> D(0)D(-)p reaction. We utilize the notion that the open-charm mesons are first produced hi the annihilation of the antiproton on one nucleon in the deuteron and subsequently rescatter oil the other (the spectator) nucleon. The latter process is then exploited for investigating the DN and DN interaction.,;. We study different methods for isolating the contributions from the D(0)p and D(-)p rescattering terms.

X-ray diffraction and mossbauer spectra of nickel ferrite prepared by combustion reaction

Nickel ferrite powders with a nominal NiFe2O4 composition were synthesized by combustion reaction using urea as fuel. The powder was obtained using a vitreous silica basin heated directly on a hot plate at 480 degrees C until self-ignition occurred. After combustion, the powder was calcined at 700 degrees C for 2 h. The formation of the spinel phase and the distribution of cations in the tetrahedral and octahedral sites of the crystal structure were investigated by the Rietveld method, using synchrotron X-ray diffraction data and Mossbauer spectroscopy. The material presented a crystallite size of 120 nm and magnetic properties. The resulting stoichiometry after the Rietveld refinement was (Fe-0.989(2) Ni-0.011(2)) [Fe-1.012(2) Ni-0.989(2)] O-4.

Precipitation reaction in alpha-Cu-Al-Ag alloys

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

Reaction pathway to the synthesis of anatase via the chemical modification of titanium isopropoxide with acetic acid

Anatase nanoparticles were obtained through a modified sol-gel route from titanium isopropoxide modified with acetic acid in order to control hydrolysis and condensation reactions. The modification of Ti(O(i)Pr)(4) with acetic acid reduces the availability of groups that hydrolyze and condense easily through the formation of a stable complex whose structure was determined to be Ti(OCOCH(3))(O(i)Pr)(2) by means of FTIR and (13)C NMR. The presence of this complex was confirmed with FTIR in the early stages of the process. A doublet in 1542 and 1440 cm(-1) stands for the asymmetric and symmetric stretching vibrations of the carboxylic group coordinated to Ti as a bidentate ligand. The gap of 102 cm(-1) between these signals suggests that acetate acts preferentially as a bidentate rather than as a bridging ligand between two titanium atoms. The use of acetic acid as modifier allows the control of both the degree of condensation and oligomerization of the precursor and leads to the preferential crystallization of TiO(2) in the anatase phase. A possible reaction pathway toward the formation of anatase is proposed on the basis of the intermediate species present in a 1:1 Ti(O(i)Pr)(4):CH(3)COOH molar system in which esterification reactions that introduce H(2)O into the reaction mixture were seen to be negligible. The Rietveld refinement and TEM analysis revealed that the powder is composed of isotropic anatase nanocrystallites.

Activation energy for the reverse eutectoid reaction in hypo-eutectoid Cu-Al alloys

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

Pearlitic reaction in Cu-10wt%Al alloy with Ag additions

The pearlitic reaction in Cu-10wt%Al alloy with additions of 4, 6, 8, and 10wt%Ag was studied using scanning electron microscopy, energy dispersive X-ray microanalysis, in situ X-ray diffractometry, and microhardness measurements. The results indicated that the presence of Ag changes the pearlitic phase microstructure and its mechanical properties, because of the influence of Ag in the pearlitic phase growth mechanism. (C) 2008 International Centre for Diffraction Data.

Influence of Ag additions on the activation energy for the reverse eutectoid reaction in Cu-Al alloys

The eutectoid transformation may be defined as a solid-state diffusion-controlled decomposition process of a high-temperature phase into a two-phase lamellar aggregate behind a migrating boundary on cooling below the eutectoid temperature. In substitutional solid solutions, the eutectoid reaction involves diffusion of the solute atoms either through the matrix or along the boundaries or ledges. The effect of Ag on the non-isothermal kinetics of the reverse eutectoid reaction in the Cu-9 mass%Al, Cu-10 mass%Al, and Cu-11 mass%Al alloys were studied using differential scanning calorimetry (DSC), X-ray diffraction (XRD), and scanning electron microscopy (SEM). The activation energy for this reaction was obtained using the Kissinger and Ozawa methods. The results indicated that Ag additions to Cu-Al alloys interfere on the reverse eutectoid reaction, increasing the activation energy values for the Cu-9 mass%Al and Cu-10 mass%Al alloys and decreasing these values for the Cu-11 mass%Al alloy for additions up to 6 mass%Ag. The changes in the activation energy were attributed to changes in the reaction solute and in Ag solubility due to the increase in Al content.

Double-Tagging Polymerase Chain Reaction with a Thiolated Primer and Electrochemical Genosensing based on Gold Nanocomposite Sensor for Food Safety

A novel material for electrochemical biosensing based on rigid conducting gold nanocomposite (nano-AuGEC) is presented. Islands of chemisorbing material (gold nanoparticles) surrounded by nonreactive, rigid, and conducting graphite epoxy composite are thus achieved to avoid the stringent control of surface coverage parameters required during immobilization of thiolated oligos in continuous gold surfaces. The spatial resolution of the immobilized thiolated DNA was easily controlled by merely varying the percentage of gold nanoparticles in the composition of the composite. As low as 9 fmol (60 pM) of synthetic DNA were detected in hybridization experiments when using a thiolated probe. Moreover, for the first time a double tagging PCR strategy was performed with a thiolated primer for the detection of Salmonella sp., one of the most important foodborne pathogens affecting food safety. Ibis assay was performed by double-labeling the amplicon during the PCR with a -DIG and -SH set of labeled primers. The thiolated end allows the immobilization of the amplicon on the nano-AuGEC electrode, while digoxigenin allows the electrochemical detection with the antiDIG-HRP reporter in the femtomole range. Rigid conducting gold nanocomposite represents a good material for the improved and oriented immobilization of biomolecules with excellent transducing properties for the construction of a wide range of electrochemical biosensors such as immunosensors, genosensors, and enzymosensors.

Antioxidant Properties of Plant Extracts: an EPR and DFT Comparative Study of the Reaction with DPPH, TEMPOL and Spin Trap DMPO

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

Identification of Eimeria mitis and Eimeria praecox in broiler feces using polymerase chain reaction

There are few reports concerning the epidemiology of Eimeria praecox and Eimeria mitis in Brazil. In the present experiment, the polymerase chain reaction (PCR) was used to identify these species in 156 samples of broiler chicken feces from several Brazilian states and the Federal District. Oocysts present in feces samples were purified by sodium chloride flotation followed by addition of DNAzol reagent (Invitrogen®) for extraction of genomic DNA. DNA was precipitated and stored following DNAzol reagent manufacture's instructions. The primers and PCR conditions were as described by Schnitzler et al. (1999). In the 156 field samples analyzed by PCR, 70 and 45 were positive for E. praecox and E. mitis, respectively. In this study we have shown that DNA extraction using DNAzol followed by PCR can be a useful tool in epidemiological studies, since it provides fast and reliable detection of Eimeria sp. in field samples.

Detection of Mycoplasma hyopneumoniae by polymerase chain reaction in swine presenting respiratory problems

A Nested-PCR (N-PCR) tem como objetivo melhorar a sensibilidade do diagnóstico direto da Pneumonia Enzoótica Suína, pois o isolamento do Mycoplasma hyopneumoniae é trabalhoso tornando-se inviável na rotina. Neste trabalho, foi realizado um projeto piloto para a otimização da técnica de N-PCR, utilizando três variáveis: tipo de amostra biológica, meio de transporte da amostra e método de extração do DNA, utilizando oito animais. Os resultados obtidos foram empregados no segundo experimento para a validação do teste utilizando 40 animais. Os resultados obtidos, pela otimização da N-PCR, neste trabalho, permite sugerir esta prova como método de diagnóstico de rotina no monitoramento das infecções por Mycoplasma hyopneumoniae em granjas de suínos.