Molecular models for shikimate pathway enzymes of Xylella fastidiosa

The Xylella fastidiosa is a bacterium that is the cause of citrus variegated chlorosis (CVC). The shikimate pathway is of pivotal importance for production of a plethora of aromatic compounds in plants, bacteria, and fungi. Putative structural differences in the enzymes from the shikimate pathway, between the proteins of bacterial origin and those of plants, could be used for the development of a drug for the control of CVC. However, inhibitors for shikimate pathway enzymes should have high specificity for X. fastidiosa enzymes, since they are also present in plants. In order to pave the way for structural and functional efforts towards antimicrobial agent development, here we describe the molecular modeling of seven enzymes of the shikimate pathway of X. fastidiosa. The structural models of shikimate pathway enzymes, complexed with inhibitors, strongly indicate that the previously identified inhibitors may also inhibit the X. fastidiosa enzymes. (C) 2004 Elsevier B.V. All rights reserved.

How C-terminal carboxyamidation alters the biological activity of peptides from the venom of the eumenine solitary wasp

Inflammatory peptides display different types of post-transcriptional modifications, such as C-terminal amidation, that alter their biological activity. Here we describe the structural and molecular dynamics features of the mast cell degranulating peptide, eumenine mastoparan-AF (EMP-AF-NH2), found in the venom of the solitary wasp, and of its carboxyl-free C-terminal form (EMP-AF-COO-) characterized by a reduced activity. Circular dichroism indicates that both peptides switch from a random coil conformation in water to a helical structure in TFE and SDS micelles. NMR data, in 30% TFE, reveal that the two peptides fold into an alpha-helix spanning most of their length, while they differ in terms of molecular rigidity. To understand the origins of the conformational flexibility observed in the case of EMP-AF-COO-, a 5 ns MD simulation was carried out for each peptide, in an explicit water/TFE environment. The results show that the two peptides differ in an H-bond between Leu14 NH2 and the backbone carbonyl of Ile11. The loss of that H-bond in EMP-AF-COO- leads to a significant modification of its structural dynamics. In fact, as evidenced by essential dynamics analysis, while EMP-AF-NH2 exists mainly as a rigid structure, EMP-AF-COO- presents two helical stretches that fluctuate in some sort of independent fashion. We conclude that the diverse biological activity of the two peptides is not simply due to the reduction of the net positive charge, as generally suggested, but also to a structural perturbation of the amphipathic alpha-helix that affects their ability to perturb the cell membrane.

Regulation of breathing and body temperature of a burrowing rodent during hypoxic-hypercapnia

Burrowing mammals usually have low respiratory sensitivity to hypoxia and hypercapnia. However, the interaction between ventilation (V), metabolism and body temperature (Tb) during hypoxic-hypercapnia has never been addressed. We tested the hypothesis that Clyomys bishopi, a burrowing rodent of the Brazilian cerrado, shows a small ventilatory response to hypoxic-hypercapnia, accompanied by a marked drop in Tb and metabolism. V, Tb and O-2 consumption (VO2) of C. bishopi were measured during exposure to air, hypoxia (10% and 7% O-2), hypercapnia (3% and 5% CO2) and hypoxic-hypercapnia (10% O-2 + 3% CO2). Hypoxia of 7% but not 10%, caused a significant increase in V, and a significant drop in Tb. Both hypoxic levels decreased VO2 and 7% O-2 significantly increased V/VO2. Hypercapnia of 5%, but not 3%, elicited a significant increase in V, although no significant change in Tb, VO2 or V/VO2 was detected. A combination of 10% O-2 and 3% CO2 had minor effects on V and Tb, while VO2 decreased and V/VO2 tended to increase. We conclude that C. bishopi has a low sensitivity not only to hypoxia and hypercapnia, but also to hypoxic-hypercapnia, manifested by a biphasic ventilatory response, a drop in metabolism and a tendency to increase V/VO2. The effect of hypoxic-hypercapnia was the summation of the hypoxia and hypercapnia effects, with respiratory responses tending to have hypercapnic patterns while metabolic responses, hypoxic patterns. (C) 2004 Elsevier B.V. All rights reserved.

The ventilatory response to environmental hypercarbia in the South American rattlesnake, Crotalus durissus

To study the effects of environmental hypercarbia on ventilation in snakes, particularly the anomalous hyperpnea that is seen when CO(2) is removed from inspired gas mixtures (post-hypercapnic hyperpnea), gas mixtures of varying concentrations of CO(2) were administered to South American rattlesnakes, Crotalus durissus, breathing through an intact respiratory system or via a tracheal cannula by-passing the upper airways. Exposure to environmental hypercarbia at increasing levels, up to 7% CO(2), produced a progressive decrease in breathing frequency and increase in tidal volume. The net result was that total ventilation increased modestly, up to 5% CO(2) and then declined slightly on 7% CO(2). on return to breathing air there was an immediate but transient increase in breathing frequency and a further increase in tidal volume that produced a marked overshoot in ventilation. The magnitude of this post-hypercapnic hyperpnea was proportional to the level of previously inspired CO(2). Administration of CO(2) to the lungs alone produced effects that were identical to administration to both lungs and upper airways and this effect was removed by vagotomy. Administration of CO(2) to the upper airways alone was without effect. Systemic injection of boluses of CO(2)-rich blood produced an immediate increase in both breathing frequency and tidal volume. These data indicate that the post-hypercapnic hyperpnea resulted from the removal of inhibitory inputs from pulmonary receptors and suggest that while the ventilatory response to environmental hypercarbia in this species is a result of conflicting inputs from different receptor groups, this does not include input from upper airway receptors.

Seasonal changes in blood oxygen transport and acid-base status in the tegu lizard, Tupinambis merianae

Oxygen-binding properties, blood gases, and acid-base parameters were studied in tegu lizards, Tupinambis merianae, at different seasons and temperatures. Independent of temperature and pH, blood oxygen affinity was higher in dormant lizards than in those active during the summer. Haematocrit (Hct) and hemoglobin content ([Hb]) were greater in active lizards resulting in a higher oxygen-carrying capacity. Nucleoside triphosphate content ([NTP]) was reduced during dormancy, but the ratio between [NTP] and [Hb] remained unchanged. Dormancy was accompanied by an increase in plasma bicarbonate ([HCO(3)(-)]PI) and an elevation of arterial CO(2) partial pressure (P(aCO2)) and CO(2) content in the plasma (C(PlCO2)). These changes in acid-base parameters persist over a broad range of body temperatures. In vivo, arterial O(2) partial pressure (Pa(O2)) and O(2) content (Ca(O2)) were not affected by season and tended to increase with temperature. Arterial pH (pH(a)) of dormant animals is reduced compared to active lizards at body temperatures below 15 degreesC, while no significant difference was noticed at higher temperatures. (C) 2003 Elsevier B.V. All rights reserved.

Marking with pigments for identification of flies in experimental populations of Megaselia scalaris Loew

A técnica de marcação de insetos de Tadei & Mourão (1976) é, até o momento, o único método experimental que possibilita determinar a idade real de cada indivíduo na população e, conseqüentemente, determinar a estrutura etária da mesma. Para isto propomos um aprimoramento dessa técnica, utilizada aqui para determinar a estrutura etária de populações da linhagem geográfica SR do díptero forídeo Megaselia scalaris Loew, mantidas pela técnica da transferência seriada em câmaras com temperatura constante de 25 ± 1,0ºC e 20 ± 1,0ºC. O estabelecimento da estrutura etária permitiu calcular a longevidade real das moscas e detectar o efeito ambiental temperatura, sendo fator determinante neste trabalho a marcação dos insetos, pois se não o fosse, teríamos somente estimativas e, dependendo do erro cometido na estimação, o efeito do fator de interesse (temperatura) poderia não ser detectado.

In vitro evaluation of the effectiveness of irrigants and intracanal medicaments on microorganisms within root canals

Aim To evaluate in vitro the effectiveness of sodium hypochlorite (NaOCl). chlorhexidine (CHX) and live intracanal medicaments on microorganisms within root canals.Methodology Ninety-six human single-rooted extracted teeth were used. After removing the crowns, canal preparation was completed and the external root Surfaces were coated with epoxy resin. Following sterilization. The teeth were contaminated with Candida albicans and enterococcus faecalis. and were incubated at 37 +/- 1 degreesC for 7 days. The teeth were divided according to the irrigant solution or intracanal medicament: group 1. sterile physiologic solution (SPS) and calcium hydroxide (Ca(OH)(2)) paste: group 2. SPS and camphorated paramonochlorophenol (CPMC): group 3.SPS and tricresol formalin: group 4, SPS and CaOH2 + CPMC paste: group 5, SPS and PMC furacin; group 6.2.5%, NaOCl without intracanal medication: group 7, 2.0% CHX without intracanal medication and group 8, SPS Without intracanal medication (control group). Microbiological samples were collected with sterile paper points, and bacterial growth was determined. The data were submitted to the analysis of variance (ANOVA. P = 0.05).Results For C. albicans, groups 3 and S were statistically less effective than groups 1, 2. 4 and 5 (Kruskal-Wallis (K-W) = 65.241; gl = 7; P = 0.001). For E. faecalis, groups 6 and 8 were statistically less effective than groups 1-4 and 7 (K-W = 61.048; gl = 7; P = 0.001).Conclusions Ca(OH)(2) + CPMC paste was the most effective intracanal medicament for the elimination of the two microorganisms; 2.0% CHX solution was more effective than 2.5% NaOCl against E. faecalis.

Photon mass and gravitational deflection

The deflection of a massive photon by an external gravitational field is energy-dependent. Interesting enough, any massive quantum particle, no matter what its spin is, undergoes dispersive deflection in external gravitational fields. Exploiting the dispersive deflection of the quantized massive electromagnetic radiation by the gravitational field of the Sun, we find an upper bound for the photon mass.

Torsion and gravitation: A new view

According to the teleparallel equivalent of general relativity, curvature and torsion are two equivalent ways of describing the same gravitational field. Though equivalent, they act differently: curvature yields a geometric description, in which the concept of gravitational force is absent whereas torsion acts as a true gravitational force, quite similar to the Lorentz force of electrodynamics. As a consequence, the right-hand side of a spinless-particle equation of motion (which would represent a gravitational force) is always zero in the geometric description, but not in the teleparallel case. This means that the gravitational coupling prescription can be minimal only in the geometric case. Relying on this property, a new gravitational coupling prescription in the presence of curvature and torsion is proposed. It is constructed in such a way to preserve the equivalence between curvature and torsion, and its basic property is to be equivalent to the usual coupling prescription of general relativity. According to this view, no new physics is connected with torsion, which is just an alternative to curvature in the description of gravitation. An application of this formulation to the equations of motion of both a spinless and a spinning particle is discussed.

Dynamical mean-field study of strongly interacting Bose-Einstein condensate

The experimental results of Rb-85 Bose-Einstein condensates are analyzed within the mean-field approximation with time-dependent two-body interaction and dissipation due to three-body recombination. We found that the magnitude of the dissipation is consistent with the three-body theory for longer rise times. However, for shorter rise times, it occurs an enhancement of this parameter, consistent with a coherent dimer formation. (C) 2004 Elsevier B.V. All rights reserved.

Self-dual super-Yang-Mills as a string theory in (x, 0) space

Different string theories in twistor space have recently been proposed for describing N = 4 super-Yang-Mills. In this paper, a string theory in (x, theta) space is constructed for self-dual N = 4 super-Yang-Mills. It is hoped that these results will be useful for understanding the twistor-string proposals and their possible relation with the pure spinor formalism of the d = 10 superstring.

Duality in noncommutative topologically massive gauge field theory revisited

We introduce a master action in non-commutative space, out of which we obtain the action of the non-commutative Maxwell-Chern-Simons theory. Then, we look for the corresponding dual theory at both first and second order in the non-commutative parameter. At the first order, the dual theory happens to be, precisely, the action obtained from the usual commutative self-dual model by generalizing the Chern-Simons term to its non-commutative version, including a cubic term. Since this resulting theory is also equivalent to the non-commutative massive Thirring model in the large fermion mass limit, we remove, as a byproduct, the obstacles arising in the generalization to non-commutative space, and to the first non-trivial order in the non-commutative parameter, of the bosonization in three dimensions. Then, performing calculations at the second order in the non-commutative parameter, we explicitly compute a new dual theory which differs from the non-commutative self-dual model and, further, differs also from other previous results and involves a very simple expression in terms of ordinary fields. In addition, a remarkable feature of our results is that the dual theory is local, unlike what happens in the non-Abelian, but commutative case. We also conclude that the generalization to non-commutative space of bosonization in three dimensions is possible only when considering the first non-trivial corrections over ordinary space.

Semiclassical particle spectrum of double sine-Gordon model

We present new theoretical results on the spectrum of the quantum field theory of the double sine-Gordon model. This non-integrable model displays different varieties of kink excitations and bound states thereof. Their mass can be obtained by using a semiclassical expression of the matrix elements of the local fields. In certain regions of the coupling-constants space the semiclassical method provides a picture which is complementary to the one of the form factor perturbation theory, since the two techniques give information about the mass of different types of excitations. In other regions the two methods are comparable, since they describe the same kind of particles. Furthermore, the semiclassical picture is particularly suited to describe the phenomenon of false vacuum decay, and it also accounts in a natural way the presence of resonance states and the occurrence of a phase transition. (C) 2004 Elsevier B.V. All rights reserved.

Behaviour of dispersion indices in pattern detection of a population of angico, Anadenanthera peregrina (Leguminosae)

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