Lattice dynamics of noble metals on effective three-body interaction

Quite recently we modified the original model of Sarkar et al. for cubic metals in extending the ion-ion interaction, ion-electron interaction and the introduction of crystal equilibrium condition. We applied our scheme to alkali metals. We studied here the lattice dynamics of noble metals on our approach by calculating phonon dispersion relations along the three principal symmetry directions, [ξ00], [ξξ00] and [ξξξ] and the (θ-T) curves of three noble metals: copper, silver and gold. We obtained reasonable agreement with the experimental findings.

Spectroscopic study of the interaction of Nd3+ with amino acids: Phenomenological 4f-4f intensity parameters

We have studied the bevahior of the phenomenological 4f-4f intensity parameters in compounds of the Nd ion with glycine, L-aspartic acid, L-glutamic acid, L-histidine, DL-malic acid and Aspartame™ in aqueous solution, as a function of the pK values and partial charges on the oxygens of the carboxylate groups of these molecules. The results are discussed and qualitatively interpreted in terms of the forced electric dipole and dynamic coupling mechanisms of the 4f-4f intensities, thus indicating that the forced electric dipole mechanism is dominant.

Conserved sequences in the β subunit of archaeal and eukaryal translation initiation factor 2 (elF2), absent from elF5, mediate interaction with elF2γ

The eukaryotic translation initiation factor 2 (eIF2) binds the methionyl-initiator tRNA in a GTP-dependent mode. This complex associates with the 40 S ribosomal particle, which then, with the aid of other factors, binds to the 5' end of the mRNA and migrates to the first AUG codon, where eIF5 promotes GTP hydrolysis, followed by the formation of the 80 S ribosome. Here we provide a comparative sequence analysis of the β subunit of eIF2 and its archaeal counterpart (aIF2β). aIF2β differs from eIF2β in not possessing an N-terminal extension implicated in binding RNA, eIF5 and eIF2B. The remaining sequences are highly conserved, and are shared with eIF5. Previously isolated mutations in the yeast eIF2β, which allow initiation of translation at UUG codons due to the uncovering of an intrinsic GTPase activity in eIF2, involve residues that are conserved in aIF2β, but not in eIF5. We show that the sequence of eIF2B homologous to aIF2β is sufficient for binding eIF2γ, the only subunit with which it interacts, and comprises, at the most, 78 residues, eIF5 does not interact with eIF2γ, despite its similarity with eIF2β, probably because of a gap in homology in this region. These observations have implications for the evolution of the mechanism of translation initiation.

Interaction of pulses in the nonlinear Schrödinger model

A study was conducted on the interaction of two pulses in the nonlinear Schrodinger (NLS) model. The presence of different scenarios of the behavior depending on the initial parameters of the pulses, such as the pulse areas, the relative phase shift, the spatial and frequency separations were shown. It was observed that a pure real initial condition of the NLS equation can result in additional moving solitons.

Mean-field model of interaction between bright vortex solitons in Bose-Einstein condensates

Using the explicit numerical solution of the axially symmetric Gross-Pitaevskii equation we study the dynamics of interaction among vortex solitons in a rotating matter-wave bright soliton train in a radially trapped and axially free Bose-Einstein condensate to understand certain features of the experiment by Strecker et al (2002 Nature 417 150). In a soliton train, solitons of opposite phase (phase δ = π) repel and stay apart without changing shape; solitons with δ = 0 attract, interact and coalesce, but eventually come out; solitons with a general δ usually repel but interact inelastically by exchanging matter. We study this and suggest future experiments with vortex solitons.

Genotype x environment interaction for age at first calving in Brazilian and Colombian Holsteins

The objective was to determine whether there is a genotype x environment interaction for age at first calving (AFC) in Holstein cattle in Brazil and Colombia. Data included 51,239 and 25,569 first-lactation records from Brazil and Colombia, respectively. Of 4230 sires in the data, 530 were North American sires used in both countries. Analyses were done using the REML bi-trait animal model, and AFC was considered as a distinct characteristic in each country. Fixed effects of contemporary group (herd-calving year), sire genetic group, and cow genetic group, and random effects of animal and residual variation were included in the model. Average AFC in Brazil and Colombia were 29.5 ± 4.0 and 32.1 ± 3.5 mo, respectively. Additive and residual genetic components and heritability coefficient for AFC in Brazil were 2.21 mo 2, 9.41 mo 2, and 0.19, respectively, whereas for Colombia, they were 1.02 mo 2, 6.84 mo 2, and 0.13, respectively. The genetic correlation of AFC between Brazil and Colombia was 0.78, indicating differences in ranking of sires consistent with a genotype x environment interaction. Therefore, in countries with differing environments, progeny of Holstein sires may calve at relatively younger or older ages compared with contemporary herdmates in one environment versus another.

The inhibition of 5-enolpyruvylshikimate-3-phosphate synthase as a model for development of novel antimicrobials

EPSP synthase (EPSPS) is an essential enzyme in the shikimate pathway, transferring the enolpyruvyl group of phosphoenolpyruvate to shikimate-3-phosphate to form 5-enolpyruvyl-3-shikimate phosphate and inorganic phosphate. This enzyme is composed of two domains, which are formed by three copies of βαβαββ-folding units; in between there are two crossover chain segments hinging the nearly topologically symmetrical domains together and allowing conformational changes necessary for substrate conversion. The reaction is ordered with shikimate-3-phosphate binding first, followed by phosphoenolpyruvate, and then by the subsequent release of phosphate and EPSP. N-[phosphomethyl]glycine (glyphosate) is the commercial inhibitor of this enzyme. Apparently, the binding of shikimate-3-phosphate is necessary for glyphosate binding, since it induces the closure of the two domains to form the active site in the interdomain cleft. However, it is somehow controversial whether binding of shikimate-3-phosphate alone is enough to induce the complete conversion to the closed state. The phosphoenolpyruvate binding site seems to be located mainly on the C-terminal domain, while the binding site of shikimate-3-phosphate is located primarily in the N-terminal domain residues. However, recent results demonstrate that the active site of the enzyme undergoes structural changes upon inhibitor binding on a scale that cannot be predicted by conventional computational methods. Studies of molecular docking based on the interaction of known EPSPS structures with (R)- phosphonate TI analogue reveal that more experimental data on the structure and dynamics of various EPSPS-ligand complexes are needed to more effectively apply structure-based drug design of this enzyme in the future. © 2007 Bentham Science Publishers Ltd.

Interaction between total-etch and self-etch adhesives and conventional and self-adhesive resin cements

The aim of this study was to compare the bond strength to enamel between resin cements combined with total-etch and self-etch adhesive systems and a self-adhesive cement. Eighty bovine incisors had their buccal surface ground flat exposing a plane area in the enamel. Eighty Artglass resin cylinders measuring 3 mm in diameter and 4 mm in height were fabricated. The teeth were divided into eight groups of 10 teeth each and the resin cylinders were cemented with different adhesive systems and resin cements; G1: RelyX Unicem (self-adhesive cement); G2: H 3PO 4 + Single Bond + RelyX ARC; G3: AdheSE + Variolink II; G4: H 3PO 4 + Excite + Variolink II; G5: Xeno III + Enforce; G6: H 3PO 4 + Prime&Bond NT + Enforce; G7: Biatite Primers 1 and 2 + Bistite II DC; G8: H 3PO 4 + Bistite Primers 1 and 2 + Bistite II DC. After application of the adhesives, the cylinders were cemented according to manufacturer instructions. The specimens were submitted to 2000 thermal cycles at a temperature ranging from 5±5°C to 55±5°C, and shear bond strength was then tested at a variety of 1 mm/min. The data were analyzed by ANOVA and the Tukey's test (á=5%), obtaining a p value of 0.00. The following mean (±standard deviation) bond strength values were observed for each group: G1: 5.14(±0.99)a; G3: 16.23(±4.69)b; G7: 17.82(±3.66)b; G5: 18.48(±2.88)bc; G8: 20.15(±4.12)bc; G4: 22.85(±3.08)cd; G2: 24.96(±2.89)d; G6: 26.07(±1.69)d. Groups followed by the same letters did not differ significantly. For most of the resin cements tested, the application of adhesive systems using acid etching resulted in a higher bond strength when compared to the self-etch adhesive systems and to the self-adhesive cement.

Application of non-isothermal cure kinetics on the interaction of poly(ethylene terephthalate) - Alkyd resin paints

Samples of paint (P), reused PET (PET-R) and paint/PET-R mixtures (PPET-R) were evaluated using DSC to verify their physical-chemical properties and thermal behavior. Films from paints and PPET-R are visually similar. It was possible to establish that the maximum amount of PET-R that can be added to paint without significantly altering its filming properties is 2%. The cure process (80-203°C) was identified through DSC curves. The kinetic parameters, activation energy (E a) and Arrhenius parameters (A) for the samples containing 0.5 to 1% of PET-R, were calculated using the Flynn-Wall-Ozawa isoconversional method. It was observed that for greater amounts of PET-R added, there is a decrease in the E a values for the cure process. A Kinetic compensation effect (KCE), represented by the equation InA=-2.70+0.31E a was observed for all the samples. The most suitable kinetic model to describe this cure process is the autocatalytic Šesták-Berggreen, model applied to heterogeneous systems. © 2007 Springer Science+Business Media, LLC.

An investigations on local and global behavior of a (SMA) oscillator of 3 - DOF driven by a limited power supply

SMART material systems offer great possibilities in terms of providing novel and economical solutions to engineering problems. The technological advantages of these materials over traditional ones are due to their unique microstructure and molecular properties. Smart materials such as shape memory alloys (SMA), has been used in such diverse areas of engineering science, nowadays. In this paper, we present a numerical investigation of the dynamics interaction of a nonideal structure (NIS). We analyze the phenomenon of the passage through resonance region in the steady state processes. We remarked that this kind of problem can lead to the so-called Sommerfeld effect: steady state frequencies of the DC motor will usually increase as more power (voltage) is given to it in a step-by-step fashion. When a resonance condition with the structure it is reached, the better part of this energy it is consumed to generate large amplitude vibrations of the foundation without sensible change of the motor frequency as before. The results obtained by using numerical simulations are discussed in details. Copyright © 2009 by ASME.

Relativistic three-body model for final state interaction in D+ → K-π+π+ decay

A challenge in mesonic three-body decays of heavy mesons is to quantify the contribution of re-scattering between the final mesons. D decays have the unique feature that make them a key to light meson spectroscopy, in particular to access the Kn S-wave phase-shifts. We built a relativis-tic three-body model for the final state interaction in D+ → K -π+π+ decay based on the ladder approximation of the Bethe-Salpeter equation projected on the light-front. The decay amplitude is separated in a smooth term, given by the direct partonic decay amplitude, and a three-body fully interacting contribution, that is factorized in the standard two-meson resonant amplitude times a reduced complex amplitude that carries the effect of the three-body rescattering mechanism. The off-shell reduced amplitude is a solution of an inhomogeneous Faddeev type three-dimensional integral equation, that includes only isospin 1/2 K -π+ interaction in the S-wave channel. The elastic K-π+ scattering amplitude is parameterized according to the LASS data[1]. The integral equation is solved numerically and preliminary results are presented and compared to the experimental data from the E791 Collaboration[2, 3] and FOCUS Collaboration[4, 5].

Ethopharmacological evaluation of the rat exposure test: A prey-predator interaction test

The rat exposure test (RET) is a prey (mouse)-predator (rat) situation that activates brain defensive areas and elicits hormonal and defensive behavior in the mouse. Here, we investigated possible correlations between the spatiotemporal [time spent in protected (home chamber and tunnel) and unprotected (surface) compartments and frequency of entries into the three compartments] and ethological [e.g., duration of protected and unprotected stretched-attend postures (SAP), duration of contact with the rat's compartment] measures (Experiment 1). Secondly, we investigated the effects of systemic treatment with pro- or anti-aversive drugs on the behavior that emerged from the factor analysis (Experiment 2). The effects of chronic (21 days) imipramine and fluoxetine on defensive behavior were also investigated (Experiment 3). Exp. 1 revealed that the time in the protected compartment, protected SAP and rat contacts loaded on factor 1 (defensive behavior), while the total entries and unprotected SAP loaded on factor 2 (locomotor activity). Exp. 2 showed that alprazolam (but not diazepam) selectively changed the defensive factor. Caffeine produced a mild proaversive-like effect, whereas yohimbine only decreased locomotor activity (total entries). Fluoxetine (but not imipramine) produced a weak proaversive-like effect. 5-HT1A/5-HT2 receptor ligands did not change any behavioral measure. In Exp. 3, chronic fluoxetine (but not imipramine) attenuated the defensive behavior factor without changing locomotion. Given that the defensive factor was sensitive to drugs known to attenuate (alprazolam and chronic fluoxetine) and induce (caffeine) panic attack, we suggest the RET as a useful test to assess the effects of panicolytic and panicogenic drugs. © 2012 Elsevier B.V.

A new hybrid polyhedral cubic silsesquioxane chemically modified with 4-amino-5-(4-pyridyl)-4H-1,2,4-triazole-3-thiol (APTT) and copper hexacyanoferrate(III) for voltammetric determination of nitrite

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

Caracterização do antígeno-5, alérgeno do veneno da vespa social Polybia paulista com uma abordagem proteômica

Pós-graduação em Ciências Biológicas (Biologia Celular e Molecular) - IBRC

Influência da dopagem com oxigênio nas propriedades anelásticas e biocompatibilidade de ligas Ti-5%pNb e Ti-10%pNb

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