Enzymatic toxins from snake venom: structural characterization and mechanism of catalysis

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

Transient and d.c. analysis of the operation mechanism of light-emitting electrochemical cells

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

Selectivity in the mechanism of action of antimicrobial mastoparan peptide Polybia-MP1

Many potent antimicrobial peptides also present hemolytic activity, an undesired collateral effect for the therapeutic application. Unlike other mastoparan peptides, Polybia-MP1 (IDWKKLLDAAKQIL), obtained from the venom of the social wasp Polybia paulista, is highly selective of bacterial cells. The study of its mechanism of action demonstrated that it permeates vesicles at a greater rate of leakage on the anionic over the zwitterionic, impaired by the presence of cholesterol or cardiolipin; its lytic activity is characterized by a threshold peptide to lipid molar ratio that depends on the phospholipid composition of the vesicles. At these particular threshold concentrations, the apparent average pore number is distinctive between anionic and zwitterionic vesicles, suggesting that pores are similarly formed depending on the ionic character of the bilayer. To prospect the molecular reasons for the strengthened selectivity in Polybia-MP1 and its absence in Mastoparan-X, MD simulations were carried out. Both peptides presented amphipathic alpha-helical structures, as previously observed in Circular Dichroism spectra, with important differences in the extension and stability of the helix; their backbone solvation analysis also indicate a different profile, suggesting that the selectivity of Polybia-MP1 is a consequence of the distribution of the charged and polar residues along the peptide helix, and on how the solvent molecules orient themselves according to these electrostatic interactions. We suggest that the lack of hemolytic activity of Polybia-MP1 is due to the presence and position of Asp residues that enable the equilibrium of electrostatic interactions and favor the preference for the more hydrophilic environment.

New Insight into the Mechanism of Action of Wasp Mastoparan Peptides: Lytic Activity and Clustering Observed with Giant Vesicles

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Study of the mechanism of action of anoplin, a helical antimicrobial decapeptide with ion channel-like activity, and the role of the amidated C-terminus

Anoplin, an antimicrobial, helical decapeptide from wasp venom, looses its biological activities by mere deamidation of its C-terminus. Secondary structure determination, by circular dichroism spectroscopy in amphipathic environments, and lytic activity in zwitterionic and anionic vesicles showed quite similar results for the amidated and the carboxylated forms of the peptide. The deamidation of the C-terminus introduced a negative charge at an all-positive charged peptide, causing a loss of amphipathicity, as indicated by molecular dynamics simulations in TFE/water mixtures and this subtle modification in a peptide's primary structure disturbed the interaction with bilayers and biological membranes. Although being poorly lytic, the amidated form, but not the carboxylated, presented ion channel-like activity on anionic bilayers with a well-defined conductance step; at approximately the same concentration it showed antimicrobial activity. The pores remain open at trans-negative potentials, preferentially conducting cations, and this situation is equivalent to the interaction of the peptide with bacterial membranes that also maintain a high negative potential inside. Copyright (C) 2007 European Peptide Society and John Wiley & Sons, Ltd.

Dissipative dynamics of matter-wave solitons in a nonlinear optical lattice

Dynamics and stability of solitons in two-dimensional (2D) Bose-Einstein condensates (BEC), with one-dimensional (1D) conservative plus dissipative nonlinear optical lattices, are investigated. In the case of focusing media (with attractive atomic systems), the collapse of the wave packet is arrested by the dissipative periodic nonlinearity. The adiabatic variation of the background scattering length leads to metastable matter-wave solitons. When the atom feeding mechanism is used, a dissipative soliton can exist in focusing 2D media with 1D periodic nonlinearity. In the defocusing media (repulsive BEC case) with harmonic trap in one direction and nonlinear optical lattice in the other direction, the stable soliton can exist. Variational approach simulations are confirmed by full numerical results for the 2D Gross-Pitaevskii equation.

Mean-field description of a dynamical collapse of a fermionic condensate in a trapped boson-fermion mixture

We suggest a time-dependent dynamical mean-field-hydrodynamic model for the collapse of a trapped boson-fermion condensate and perform numerical simulation based on it to understand some aspects of the experiment by Modugno et al. [Science 297, 2240 (2002)] on the collapse of the fermionic condensate in the K-40-Rb-87 mixture. We show that the mean-field model explains the formation of a stationary boson-fermion condensate at zero temperature with relative sizes compatible with experiment. This model is also found to yield a faithful representation of the collapse dynamics in qualitative agreement with experiment. In particular we consider the collapse of the fermionic condensate associated with (a) an increase of the number of bosonic atoms as in the experiment and (b) an increase of the attractive boson-fermion interaction using a Feshbach resonance. Suggestion for experiments of fermionic collapse using a Feshbach resonance is made.

Josephson oscillation and induced collapse in an attractive Bose-Einstein condensate

Using the axially symmetric time-dependent Gross-Pitaevskii equation we study the Josephson oscillation of an attractive Bose-Einstein condensate (BEC) in a one-dimensional periodic optical-lattice potential. We find that the Josephson frequency is virtually independent of the number of atoms in the BEC and of the interatomic interaction (attractive or repulsive). We study the dependence of the Josephson frequency on the laser wave length and the strength of the optical-lattice potential. For a fixed laser wave length (795 nm), the Josephson frequency decreases with increasing strength as found in the experiment of Cataliotti [Science 293, 843 (2001)]. For a fixed strength, the Josephson frequency remains essentially unchanged for a reasonable variation of laser wave length around 800 nm. However, the Josephson oscillation is disrupted with the increase of laser wave length beyond 2000 nm leading to a collapse of a sufficiently attractive BEC. These features of a Josephson oscillation can be tested experimentally with present setups.

A dynamical mechanism to explain the top-bottom quark mass hierarchy

We discuss the mass splitting between the the top and bottom quarks in a technicolor scenario. The model proposed here contains a left-right electroweak gauge group. An extended technicolor group and mirror fermions are introduced. The top-bottom quark mass splitting turns out to be intimately connected to the breaking of the left-right gauge symmetry. Weak isospin violation occurs within the experimental limits.

Neutrino masses through a type II seesaw mechanism at TeV scale

In this work we show that we can generate neutrino masses through the type II seesaw mechanism working at TeV scale in the context of a 331 model. (C) 2001 Published by Elsevier B.V. B.V.

Stability and collapse of a coupled Bose-Einstein condensate

The dynamics of a coupled Bose-Einstein condensate involving trapped atoms in two quantum states is studied using the time-dependent Gross-Pitaevskii equation including an interaction which can transform atoms from one state to the other. We find interesting oscillation of the number of atoms in each of the states. For all repulsive interactions, stable condensates are formed. When some of the atomic interactions are attractive, the possibility of collapse is studied by including an absorptive contact interaction and a quartic three-body recombination term. One or both components of the condensate may undergo collapse when one or more of the nonlinear terms are attractive in nature. (C) 2001 Elsevier B.V. B.V. All rights reserved.

Instant preheating mechanism and ultrahigh energy cosmic rays

Top-down models assume that the still unexplained ultrahigh energy cosmic rays (UHECR's) are the decay products of superheavy particles. Such particles may have been produced by one of the post-inflationary reheating mechanisms and may account for a fraction of the cold dark matter. In this paper, we assess the phenomenological applicability of the simplest instant preheating framework not to describe a reheating process, but as a mechanism to generate relic supermassive particles as possible sources of UHECR's. We use cosmic ray flux and cold dark matter observational data to constrain the parameters of the model.

Dynamical collapse in a degenerate binary fermion mixture using a hydrodynamic model

We use a time-dependent dynamical hydrodynamic model to study a collapse in a degenerate fermion-fermion mixture ( DFFM) of different atoms. Due to a strong Pauli-blocking repulsion among identical spin-polarized fermions at short distances, there cannot be a collapse for repulsive interspecies fermion fermion interaction. However, there can be a collapse for a sufficiently attractive interspecies fermion-fermion interaction in a DFFM of different atoms. Using a variational analysis and numerical solution of the hydrodynamic model, we study different aspects of collapse in such a DFFM initiated by a jump in the interspecies fermion-fermion interaction ( scattering length) to a large negative ( attractive) value using a Feshbach resonance. Suggestion for experiments of collapse in a DFFM of distinct atoms is made.

On the HBO mechanism of X-ray neutron star

We ascribe the 15-60 Hz Quasi Periodic Oscillation (QPO) to the periastron precession frequency of the orbiting accreted matter at the boundary of magnetosphere-disk of Xray neutron star (NS). Considering the relativistic motion mechanism for the kHz QPO, that the radii of the inner disk and magnetosphere-disk of NS are correlated with each other by a factor is assumed. The obtained conclusions include: all QPO frequencies increase with increasing the accretion rate. The theoretical relations between 15-60 Hz QPO (HBO) frequency and the twin kHz QPOs are similar to the measured empirical formula. Further, the better fitted NS mass by the proposed model is about 1.9 solar masses for the detected LMXBs.

Stability and collapse of a hybrid Bose-Einstein condensate of atoms and molecules

The dynamics of stability and collapse of a trapped atomic Bose-Einstein condensate (BEC) coupled to a molecular one is studied using the time-dependent Gross-Pitaevskii (GP) equation including a nonlinear interaction term which can transform two atoms into a molecule and vice versa. We find an interesting oscillation of the number of atoms and molecules for a BEC of fixed mass. This oscillation is a consequence of continuous transformation in the condensate of two atoms into a molecule and vice versa. For the study of collapse an absorptive contact interaction and an imaginary quartic three-body recombination term are included in the GP equation. It is possible to have a collapse of one or both components when one or more of the nonlinear terms in the GP equation are attractive in nature, respectively.