Crystallographic portrayal of different conformational states of a Lys49 phospholipase A2 homologue: Insights into structural determinants for myotoxicity and dimeric configuration

Catalytically inactive phospholipase A2 (PLA2) homologues play key roles in the pathogenesis induced by snake envenomation, causing extensive tissue damage via a mechanism still unknown. Although, the amino acid residues directly involved in catalysis are conserved, the substitution of Asp49 by Arg/Lys/Gln or Ser prevents the binding of the essential calcium ion and hence these proteins are incapable of hydrolyzing phospholipids. In this work, the crystal structure of a Lys49-PLA2 homologue from Bothrops brazili (MTX-II) was solved in two conformational states: (a) native, with Lys49 singly coordinated by the backbone oxygen atom of Val31 and (b) complexed with tetraethylene glycol (TTEG). Interestingly, the TTEG molecule was observed in two different coordination cages depending on the orientation of the nominal calcium-binding loop and of the residue Lys49. These structural observations indicate a direct role for the residue Lys49 in the functioning of a catalytically inactive PLA2 homologue suggesting a contribution of the active site-like region in the expression of pharmacological effects such as myotoxicity and edema formation. Despite the several crystal structures of Lys49-PLA2 homologues already determined, their biological assembly remains controversial with two possible conformations. The extended dimer with the hydrophobic channel exposed to the solvent and the compact dimer in which the active site-like region is occluded by the dimeric interface. In the MTX-II crystal packing analysis was found only the extended dimer as a possible stable quaternary arrangement. © 2012 Elsevier B.V.

On elimination of chaotic behavior in a non-ideal portal frame structural system, using both passive and active controls

In this paper, an application is considered of both active and passive controls, to suppression of chaotic behavior of a simple portal frame, under the excitation of an unbalanced DC motor, with limited power supply (non-ideal problem). The adopted active control strategy consists of two controls: the nonlinear (feedforward) in order to keep the controlled system in a desirable orbit, and the feedback control, which may be obtained by considering state-dependent Riccati equation control to bringing the system into the desired orbit using a magneto rheological (MR) damper. To control the electric current applied in control of the MR damper the Bouc-Wen mathematical model was used to the MR damper. The passive control was obtained by means of a nonlinear sub-structure with properties of nonlinear energy sink. Simulations showed the efficiency of both the passive control (energy pumping) and active control strategies in the suppression of the chaotic behavior. © The Author(s) 2012.

Structural and dielectric properties of polyvinyl alcohol/barium zirconium titanate polymer-ceramic composite

The polyvinyl alcohol (PVA)/barium zirconium titanate Ba[Zr0.1Ti0.9]O3 (BZT) polymer-ceramic composites with different volume percentage are obtained from solution mixing and hot-pressing method. Their structural and electrical properties are characterized by X-ray diffraction (XRD), Rietveld refinement, cluster modeling, scanning electron microscope and dielectric study. XRD patterns of PVA/BZT polymer-ceramics composite (with 50% volume fractions) indicate no obvious differences than the XRD patterns of pure BZT which shows that the crystal structure is still stable in the composite. The scanning electron micrograph indicates that the BZT ceramic is dispersed homogeneously in the polymer matrix without agglomeration. The dielectric permittivity (ε r) and the dielectric loss (tan δ) of the composites increase with the increase of the volume fraction of BZT ceramic. Theoretical models are employed to rationalize the dielectric behavior of the polymer composites. The dielectric properties of the composites display good stability within a wide range of temperature and frequency. The excellent dielectric properties of these polymer-ceramic composites indicate that the BZT/PVA composites can be a candidate for embedded capacitors. © 2013 Elsevier B.V.

Visualization of Protein Folding Funnels in Lattice Models

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

The influence of self-weight of elastic 2D structures in topology optimization via numerical technique Smooth Evolutionary Structural Optimization (SESO)

This paper deals with topology optimization in plane elastic-linear problems considering the influence of the self weight in efforts in structural elements. For this purpose it is used a numerical technique called SESO (Smooth ESO), which is based on the procedure for progressive decrease of the inefficient stiffness element contribution at lower stresses until he has no more influence. The SESO is applied with the finite element method and is utilized a triangular finite element and high order. This paper extends the technique SESO for application its self weight where the program, in computing the volume and specific weight, automatically generates a concentrated equivalent force to each node of the element. The evaluation is finalized with the definition of a model of strut-and-tie resulting in regions of stress concentration. Examples are presented with optimum topology structures obtaining optimal settings. (C) 2012 CIMNE (Universitat Politecnica de Catalunya). Published by Elsevier Espana, S.L.U. All rights reserved.

Lumped element modeling of operational structures by inverting the mobility models

This paper is concerned with what a source precisely sees when it drives a receiver such as a continuous structural object. An equivalent lumped element system consisting of masses, springs and dampers is developed to visually represent the operational structural dynamics of a single-input structure at the driving point. The development is solely based on the mobility model of the driving point response. The mobility model is mathematically inverted to give the impedance model that is suitable for lumped element modeling. The two types of structures studied are unconstrained inertial objects and constrained resilient objects. The lumped element systems presented suggest a new view to dynamics that a single-input flexible structure in operation can be decomposed into the two subsystems: a base system of single degree of freedom (or of a mass for an inertial object) whose mass is in contact with the source and an appendage system consisting of a series of oscillators each of which is attached to the base mass. The driving point response is a result of the coupling between the two subsystems. (C) 2014 Elsevier Ltd. All rights reserved.

Influência de técnicas de moldagem e de dois vazamentos na precisão dimensional de modelos de gesso e adaptação marginal de infraestruturas CAD/CAM em Y-TZP

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

The effect of power-ultrasound on the pretreatment of acidified aqueous solutions of banana flower-stalk: Structural, chemical and statistical analysis

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Fabrication and structural characterization of bismuth niobate thin films grown by chemical solution deposition

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Dynamic analysis for different finite element models of beams with viscoelastic damping layer

Many new viscoelastic materials have been developed recently to help improve noise and vibration levels in mechanical structures for applications in automobile and aeronautical industry. The viscoelastic layer treatment applied to solid metal structures modifies two main properties which are related to the mass distribution and the damping mechanism. The other property controlling the dynamics of a mechanical system is the stiffness that does not change much with the viscoelastic material. The model of such system is usually complex, because the viscoelastic material can exhibit nonlinear behavior, in contrast with the many available tools for linear dynamics. In this work, the dynamic behavior of sandwich beam is modeled by finite element method using different element types which are then compared with experimental results developed in the laboratory for various beams with different viscoelastic layer materials. The finite element model is them updated to help understand the effects in the damping for various natural frequencies and the trade-off between attenuation and the mass add to the structure.

Influence of structural nonlinearities in stall-induced aeroelastic response of pitching airfoils

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

Protective effects of the galectin-1 protein on in vivo and in vitro models of ocular inflammation

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

Application of Volterra series in nonlinear mechanical system identification and in structural health monitoring problems

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