Crystallographic studies on the binding of isonicotinyl-NAD adduct to wild-type and isoniazid resistant 2-trans-enoyl-ACP (CoA) reductase from Mycobacterium tuberculosis

The resumption of tuberculosis led to an increased need to understand the molecular mechanisms of drug action and drug resistance, which should provide significant insight into the development of newer compounds. Isoniazid (INH), the most prescribed drug to treat TB, inhibits an NADH-dependent enoyl-acyl carrier protein reductase (InhA) that provides precursors of mycolic acids, which are components of the mycobacterial cell wall. InhA is the major target of the mode of action of isoniazid. INH is a pro-drug that needs activation to form the inhibitory INH-NAD adduct. Missense mutations in the inhA structural gene have been identified in clinical isolates of Mycobacterium tuberculosis resistant to INH. To understand the mechanism of resistance to INH, we have solved the structure of two InhA mutants (121V and S94A), identified in INH-resistant clinical isolates, and compare them to INH-sensitive WT InhA structure in complex with the INH-NAD adduct. We also solved the structure of unliganded INH-resistant S94A protein, which is the first report on apo form of InhA. The salient features of these structures are discussed and should provide structural information to improve our understanding of the mechanism of action of, and resistance to, INH in M. tuberculosis. The unliganded structure of InhA allows identification of conformational changes upon ligand binding and should help structure-based drug design of more potent antimycobacterial agents. (c) 2007 Elsevier B.V. All rights reserved.

Blumenthal's theorem for Laurent orthogonal polynomials

We investigate polynomials satisfying a three-term recurrence relation of the form B-n(x) = (x - beta(n))beta(n-1)(x) - alpha(n)xB(n-2)(x), with positive recurrence coefficients alpha(n+1),beta(n) (n = 1, 2,...). We show that the zeros are eigenvalues of a structured Hessenberg matrix and give the left and right eigenvectors of this matrix, from which we deduce Laurent orthogonality and the Gaussian quadrature formula. We analyse in more detail the case where alpha(n) --> alpha and beta(n) --> beta and show that the zeros of beta(n) are dense on an interval and that the support of the Laurent orthogonality measure is equal to this interval and a set which is at most denumerable with accumulation points (if any) at the endpoints of the interval. This result is the Laurent version of Blumenthal's theorem for orthogonal polynomials. (C) 2002 Elsevier B.V. (USA).

Chain sequences and symmetric generalized orthogonal polynomials

in this paper, we derive an explicit expression for the parameter sequences of a chain sequence in terms of the corresponding orthogonal polynomials and their associated polynomials. We use this to study the orthogonal polynomials K-n((lambda.,M,k)) associated with the probability measure dphi(lambda,M,k;x), which is the Gegenbauer measure of parameter lambda + 1 with two additional mass points at +/-k. When k = 1 we obtain information on the polynomials K-n((lambda.,M)) which are the symmetric Koornwinder polynomials. Monotonicity properties of the zeros of K-n((lambda,M,k)) in relation to M and k are also given. (C) 2002 Elsevier B.V. B.V. All rights reserved.

The influence of cervical finish line, internal relief, and cement type on the cervical adaptation of metal crowns

Objective: the aim of this investigation was to evaluate the cervical adaptation of metal crowns under several conditions, namely (1) variations in the cervical finish line of the preparation, (2) application of internal relief inside the crowns, and (3) cementation using different luting materials. Method and Materials: One hundred eighty stainless-steel master dies were prepared simulating full crown preparations: 60 in chamfer (CH), 60 in 135-degree shoulder (OB), and 60 in rounded shoulder (OR). The finish lines were machined at approximate dimensions of a molar tooth preparation (height: 5.5 mm; cervical diameter: 8 mm; occlusal diameter: 6.4 mm; taper degree: 6; and cervical finish line width: 0.8 mm). One hundred eighty corresponding copings with the same finish lines were fabricated. A 30-mu m internal relief was machined 0.5 mm above the cervical finish line in 90 of these copings. The fit of the die and the coping was measured from all specimens (L0) prior to cementation using an optical microscope. After manipulation of the 3 types of cements (zinc phosphate, glass-ionomer, and resin cement), the coping was luted on the corresponding standard master die under 5-kgf loading for 4 minutes. Vertical discrepancy was again measured (L1), and the difference between L1 and L0 indicated the cervical adaptation. Results: Significant influence of the finish line, cement type, and internal relief was observed on the cervical adaptation (P < .001). The CH type of cervical finish line resulted in the best cervical adaptation of the metal crowns regardless of the cement type either with or without internal relief (36.6 +/- 3 to 100.8 +/- 4 mu m) (3-way analysis of variance and Tukey's test, alpha = .05). The use of glass-ionomer cement resulted in the least cervical discrepancy (36.6 +/- 3 to 115 +/- 4 mu m) than those of other cements (45.2 +/- 4 to 130.3 +/- 2 mu m) in all conditions. Conclusion: the best cervical adaptation was achieved with the chamfer type of finish line. The internal relief improved the marginal adaptation significantly, and the glass-ionomer cement led to the best cervical adaptation, followed by zinc phosphate and resin cement.

The Yang-Lee zeros of the 1D Blume-Capel model on connected and non-connected rings

We carry out a numerical and analytic analysis of the Yang-Lee zeros of the ID Blume-Capel model with periodic boundary conditions and its generalization on Feynman diagrams for which we include sums over all connected and nonconnected rings for a given number of spins. In both cases, for a specific range of the parameters, the zeros originally on the unit circle are shown to depart from it as we increase the temperature beyond some limit. The curve of zeros can bifurcate- and become two disjoint arcs as in the 2D case. We also show that in the thermodynamic limit the zeros of both Blume-Capel models on the static (connected ring) and on the dynamical (Feynman diagrams) lattice tend to overlap. In the special case of the 1D Ising model on Feynman diagrams we can prove for arbitrary number of spins that the Yang-Lee zeros must be on the unit circle. The proof is based on a property of the zeros of Legendre polynomials.

Study on the thermal behavior of the complexes of the type [PdX2(tdmPz)] (X = Cl-, Br-, I-, SCN-)

Four new mononuclear Pd(II) complexes of the type [PdX2(tdmPz)] {X = Cl- (1); Br- (2); I- (3); SCN- (4); tdmPz = 1-thiocarbamoyl-3,5-dimethylpyrazole} have been synthesized and characterized by elemental analysis, IR spectroscopy, H-1 and C-13{H-1}-NMR experiments. The thermal behavior of the complexes 1-4 has been investigated by means of thermogravimetry (TG) and differential thermal analysis (DTA). From the initial decomposition temperatures, the thermal stability of the complexes can be ordered in the sequence: 3 < 4 a parts per thousand 2 < 1. The final products of the thermal decompositions were characterized as metallic palladium by X-ray powder diffraction.

On the Milnor fibre and L numbers of semi-weighted homogeneous arrangements

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

Effect of type of cuttings and indolbutyric acid on the rooting of rose (Rosa sp. 'Red success') leafy cuttings during two seasons

The objectives of this study were to evaluate the effect of type of cuttings (apical, intermediate and basal) and different concentrations of IBA (indole-3-butyric acid) on rooting of Red success rose (Rosa sp.) leafy cuttings, during two season of cuttings collection (summer and winter). The investigation was carried out in the farm Irmaos Van Schaik in Holambra-SP, Brazil, from February to April and August to October/1993. The experimental design was a randomized block in a factorial arrangement. It consisted of 12 treatments (3 types of cuttings combined with IBA powder in 4 different concentrations - 0, 1000, 2000 and 4000 ppm) with 3 replicates during 2 seasons. The investigation permitted the following conclusions: the apical and intermediate cuttings showed better results in general when compared to the basal ones in both seasons; the average rooting at the transplanting time were 76%, 70% and 47% (summer) and 80%, 69% and 33% (winter) for apical, intermediate and basal cuttings, respectively; the utilization of IBA did not stimulate rooting. The average rooting for the control cuttings reached 85% (summer) and 78% (winter), regardless the type of cuttings.

MnO2 influence on the electrical properties of SnO2-based ceramic systems

Tin dioxide is an n-type semiconductor that when doped with other metallic oxides exhibits non-linear electric behavior with high non-linear coefficient values typical of a varistor. In this work, electrical properties of the SnO2.CoO.Ta2O5 and SnO2.CoO.MnO2.Ta2O5 ceramics systems were studied with the objective of analyzing the influence of MnO2 on sintering behavior and electrical properties of these systems. The compacts were prepared by powder mixture process and sintered at 1300°C for 1 hour, in air, using a constant heating rate of 10°C/min. The morphological and structural properties were characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). The densities of the sintered ceramics were measured using the Archimedes method. The SnO2.CoO.Ta2O5 and SnO2.CoO.MnO2.Ta2O5 systems presented breakdown fields (Eb) about 3100 V.cm-1 and 3800 V.cm-1, respectively, and non-linear coefficient (α) about 10 and 20, respectively.

Consequences of quadratic frictional force on the one dimensional bouncing ball model

Some dynamical properties of the one dimensional Fermi accelerator model, under the presence of frictional force are studied. The frictional force is assumed as being proportional to the square particle's velocity. The problem is described by use of a two dimensional non linear mapping, therefore obtained via the solution of differential equations. We confirm that the model experiences contraction of the phase space area and in special, we characterized the behavior of the particle approaching an attracting fixed point. © 2007 American Institute of Physics.

Influence of brush type as a carrier of adhesive solutions and paper points as an adhesive-excess remover on the resin bond to root dentin

Purpose: To evaluate the influence of the brush type as a earner of priming adhesive solutions and the use of paper points as a remover of the excess of these solutions on the push-out bond strength of resin cement to bovine root dentin. The null hypotheses were that brush type and the use of paper points do not affect the bond strength. Materials and Methods: The canals of 80 single-root bovine roots (16 mm in length) were prepared at 12 mm using the preparation drill (FRC Postec Plus, Ivoclar). Half of each root was embedded in acrylic resin and the specimens were divided into 8 groups, considering the factors brush type (4 levels) and paper point (2 levels) (n = 10): Gr 1: small microbrush (Cavi-Tip, SDI); Gr 2: Microbrush (Dentsply); Gr 3: Endobrush (Bisco); Gr 4: conventional brush (Bisco); Gr 5: Cavi-Tip (SDI) + paper points; Gr 6: Microbrush (Dentsply) + paper points; Gr 7: Endobrush (Bisco) + paper points; Gr 8: conventional brush (Bisco) + paper points. The root dentin was treated with a multistep total-etch adhesive system (All Bond 2). The adhesive system was applied using each microbrush, with and without using paper points. One fiber post was molded with addition silicon and 80 posts were made of resin cement (Duolink), The resin posts were luted (Duolink resin cement), and the specimens were stored for 24 h in water at 37°C. Each specimen was cut into 4 disk-shaped samples (1.8 mm in thickness), which were submitted to the push-out test. Results: The brush type (p < 0.0001) (small microbrush > microbrush = endobrush = conventional brush) and the use of paper points (p = 0.0001) (with > without) influenced the bond strength significantly (two-way ANOVA). The null hypotheses were rejected. Conclusion: The smallest brush (Cavi-Tip) and the use of paper points significantly improved the resin bond to bovine root dentin.

Influence of grinding on the roundness, residual stresses and microstructure of VC131 steel analysed by varying the type of cutting fluid

This paper by R. E. Catai, E. C. Bianchi, P. R de Águia and M. C. Alves reports on the results of an analysis made of roundness errors, residual stresses, and SEM micrographs of VC131 steel. The analysis involved workpieces ground with two types of cutting fluid: synthetic cutting fluid and emulsive oil. In this study, the cutting parameters were kept constant while the type of cutting fluid was varied. The amount of cutting fluid injected in the process was also varied, aiming to identify the ideal amount required to obtain good results without causing structural damage to the workpiece. The SEM analyses of roundness errors and residual stresses revealed that, of the two cutting fluids, emulsive oil provided better tensions due to its greater lubricating power.

Effects of the density, aviary type, breed, and age on the behaviors of laying hens kept in cages

An experiment was carried out in order to investigate the behaviors of laying hens due to the environmental factors of: density inside of the cage, aviary type, breed, and age. The experiment was configured as a factorial 4x2x2x2 study, with treatments being four different ages, two different breeds, two different cage densities, and two different aviaries. The birds' behaviors were recorded using video cameras installed in the cages, using samples of 15 minutes recorded from 12 PM to 4 PM. The observed behaviors, frequency and duration of behaviors (measured in seconds) were identified and noted related to each bird. The study was initiated in March 2007, during four non-consecutive weeks. The observed behaviors were: opening wings, stretching, threatening, ruffling feathers, drinking water, aggressive pecking, eating, running, lying down, stretching head out of the cage, preening, mounting, prostrating, and doing nothing (inactivity). Due to the non-normality of the data recorded, the Kruskal-Wallis statistical test of the MINITAB Statistical Software® was used to compare the medians of the variables. For breed factor, only the durations of the eating presented significant differences (p-value< 0.05). For cage density, there was a significant median difference (p-value< 0.05) for almost all behaviors observed. The average length of time of behaviors was higher for the lowest cage density. However, the frequency of behaviors was lmerfor the lowest cage density. The frequency of the behaviors to preen feathers, to lie down, to drink water and to stretch the head were higher in the aviary, where the groups of birds were smaller. The observed behaviors were particularly affected by experimental factors cage density, and aviary type, which directly affects the available space for each bird.

Effect of thickness of indirect restoration and distance from the light-curing unit tip on the hardness of a dual-cured resin cement

This study evaluated the Knoop hardness and polymerization depth of a dual-cured resin cement, light-activated at different distances through different thicknesses of composite resin. One bovine incisor was embedded in resin and its buccal surface was flattened. Dentin was covered with PVC film where a mold (0.8-mm-thick and 5 mm diameter) was filled with cement and covered with another PVC film. Light curing (40 s) was carried out through resin discs (2, 3, 4 or 5 mm) with a halogen light positioned 0, 1, 2 or 3 mm from the resin surface. After storage, specimens were sectioned for hardness measurements (top, center, and bottom). Data were subjected to split-plot ANOVA and Tukey's test (α=0.05). The increase in resin disc thickness decreased cement hardness. The increase in the distance of the light curing tip decreased hardness at the top region. Specimens showed the lowest hardness values at the bottom, and the highest at the center. Resin cement hardness was influenced by the thickness of the indirect restoration and by the distance between the light-curing unit tip and the resin cement surface.