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.

A Commentary on de Sousa′s towards an Integrative Theory of Consciousness

De Sousa′s comprehensive two-part review of a diversity of contemporary approaches to the study of consciousness is highly welcome. He makes us aware of a proliferation of theoretical and empirical approaches targeting a common theme, but diverging in many ways. He skilfully accomplishes a classification of kinds of approach, identification of the main representatives, their contributions, and respective limitations. However, he does not show how the desired integration could be accomplished. Besides summarising de Sousa′s efficient analytical work, I make critical comments and briefly report my contribution for the integration project.© MSM 2013.

Dimensionality effects in the local density of states of ferromagnetic hosts probed via STM: Spin-polarized quantum beats and spin filtering

We theoretically investigate the local density of states (LDOS) probed by an STM tip of ferromagnetic metals hosting a single adatom and a subsurface impurity. We model the system via the two-impurity Anderson Hamiltonian. By using the equation of motion with the relevant Green's functions, we derive analytical expressions for the LDOS of two host types: a surface and a quantum wire. The LDOS reveals Friedel-like oscillations and Fano interference as a function of the STM tip position. These oscillations strongly depend on the host dimension. Interestingly, we find that the spin-dependent Fermi wave numbers of the hosts give rise to spin-polarized quantum beats in the LDOS. Although the LDOS for the metallic surface shows a damped beating pattern, it exhibits the opposite behavior in the quantum wire. Due to this absence of damping, the wire operates as a spatially resolved spin filter with a high efficiency. © 2013 American Physical Society.

Genetic variability among Commelina weed species from the states of Paraná and São Paulo, Brazil

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Scattering and bound states of fermions in a mixed vector-scalar smooth step potential

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Stationary states of fermions in a sign potential with a mixed vector-scalar coupling

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Reproductive site selection in the leaf-frog Phyllomedusa azurea Cope, 1862 (Anura: Hylidae) in altered areas of the Brazilian Cerrado

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Effect of inter-adatoms correlations on the local density of states of graphene

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Weakly bound states of two- and three-boson systems in the crossover from two to three dimensions

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

Maximally genuine multipartite entangled mixed X-states of N-qubits

For every possible spectrum of 2(N)-dimensional density operators, we construct an N-qubit X-state of the same spectrum and maximal genuine multipartite (GM-) concurrence, hence characterizing a global unitary transformation that -constrained to output X-states-maximizes the GM-concurrence of an arbitrary input mixed state of N qubits. We also apply semidefinite programming methods to obtain N-qubit X-states with maximal GM-concurrence for a given purity and to provide an alternative proof of optimality of a recently proposed set of density matrices for the purpose, the so-called X-MEMS. Furthermore, we introduce a numerical strategy to tailor a quantum operation that converts between any two given density matrices using a relatively small number of Kraus operators. We apply our strategy to design short operator-sum representations for the transformation between any given N-qubit mixed state and a corresponding X-MEMS of the same purity.

Scattering and bound states of fermions in the modified Hulthen potential

In the present work the scattering of a fermion in the modified Hulthen potential is considered with a general vector and scalar and we solved the Dirac equation in the one-dimensional space. The transmission and reflection coefficients are reported. The bound-state solution is also given. The study shows the asymptotic behavior of the wave function in bound-state and scattering states solutions.

Influence of thermal gradient in vortex states of mesoscopic superconductors

In general, the studies of finite size effects in mesoscopic superconductors have been carried out in such a way that the temperature parameter is constant in the entire system. However, we could have situations where a real sample is near a heater source, as an example. In such situations, gradients of temperature are present. On the other hand, mesoscopic superconductors are interesting systems due to the fact that they present confinement effects which influence all the vortex dynamics. Thus, in this work we studied the influence of thermal gradients on the vortex dynamics in mesoscopic superconductors. For this purposes, we used the time dependent Ginzburg-Landau equations. The thermal gradients produce an asymmetric distribution of the currents around the system which, in turn, yield interesting vortex configurations and difficult the formation of giant vortices.

Hollows of a science of consciousness?

I consider Nixon’s essay a well thought discussion of the possibility of a genuine science of consciousness. Most of the sections are worth discussing, but to find the main message it may be necessary to read between the lines. The good news is that he does not present true impossibilities for this science, but his discussion leads to the (sound) conclusion that it would have to account for many unconscious factors that make us creative and human.