Crystal and molecular structures of 4-substituted 3,4-dihydropyrimidin-2(1H)-ones studied by X-ray and AM1 and B3LYP calculations

(1) C13H13N3O5, Mr = 291.26, P (1) over bar, a = 7.4629(9), b = 7.9203(9), c = 12.126(2) angstrom, alpha = 86.804(5), beta = 78.471(7), gamma = 69.401(8)degrees, V = 657.3(2)angstrom(3), Z = 2, R-1 = 0.0454; (2) C11H12N2O4, Mr=236.23, Pbca, a=7.2713(9), b=14.234(1), c=20.848(3)angstrom, V= 2157.8(4) angstrom(3), Z=8, R-1=0.0504; (3) C13H13N2O3Cl, Mr = 280.70, P2/n, a = 17.344(2), b = 9.237(1), c = 18.398(2) angstrom; beta = 92.61(2)degrees, V = 2944.4(6) angstrom(3), Z = 8, R-1 = 0.0714. The conformational features of three 4-substituted-3-4-dihydropyrimidin-2(1H)-ones were investigated by computational and single crystal X-ray crystallographic studies. The geometries were optimized using semiempirical (AM1) and first principle calculations (B3LYP/6-31G**) methods, the rotational barriers for important functional groups were studied. In all structures the pyrimidinone rings are in a more or less distorted boat conformation. The phenyl and the furane rings are almost perpendicular to the best least-squares plane through the dihydropyrimidinone ring.

A Non-Destructive Testing Based on Electromagnetic Measurements and Neural Networks for the Inspection of Concrete Structures

This paper presents a new non-destructive testing (NDT) for reinforced concrete structures, in order to identify the components of their reinforcement. A time varying electromagnetic field is generated close to the structure by electromagnetic devices specially designed for this purpose. The presence of ferromagnetic materials (the steel bars of the reinforcement) immersed in the concrete disturbs the magnetic field at the surface of the structure. These field alterations are detected by sensors coils placed on the concrete surface. Variations in position and cross section (the size) of steel bars immersed in concrete originate slightly different values for the induced voltages at the coils.. The values for the induced voltages were obtained in laboratory tests, and multi-layer perceptron artificial neural networks with Levemberg-Marquardt training algorithm were used to identify the location and size of the bar. Preliminary results can be considered very good.

Biomecánica da movimentação ortodôntica--resposta inicial dos tecidos periodontais.

There occurs a biological response of the tissues of dental support, in answer to the external physiological forces and those realized during clinical treatments with orthodontical purposes. These forces differ from the first ones because they are continuous and time dependent. A great dental mobility is related to the degree of tissue organization of the periodontium system and the orthodontical movement must utilize this exceptional capacity of renewal and adaptation of the periodontium structures adequately. Therefore, through histological means a search was made to evaluate the succession of alterations of the periodontium system after the application of an orthodontical force on the molars of young rats and to interpret the standards of horizontal mobility and their consequences on the periodontium structures, biologically. An orthodontic force was applied on young rats utilizing steel wire placed in a ring form on a contact point between the first and second lower molars. The animals were sacrificed after 30 minutes, 1, 2, 6, 12, 24, 48, 72, 96 and 168 hours after the placement of the metal ring. After technical preparation, the microscopic slides were examined and the results were compared. In all the sections there was evidence of an intense metabolic activity. A gradual evolution of modification on the phenomenons had occurred.

Multiperiodic magnetic structures in Hubbard superlattices

We consider fermions in one-dimensional superlattices (SL's), modeled by site-dependent Hubbard-U couplings arranged in a repeated pattern of repulsive (i.e., U>0) and free (U=0) sites. Density matrix renormalization group diagonalization of finite systems is used to calculate the local moment and the magnetic structure factor in the ground state. We have found four regimes for magnetic behavior: uniform local moments forming a spin-density wave (SDW), floppy local moments with short-ranged correlations, local moments on repulsive sites forming long-period SDW's superimposed with short-ranged correlations, and local moments on repulsive sites solely with long-period SDW's; the boundaries between these regimes depend on the range of electronic densities ρ and on the SL aspect ratio. Above a critical electronic density, ρ↑↓, the SDW period oscillates both with ρ and with the spacer thickness. The former oscillation allows one to reproduce all SDW wave vectors within a small range of electronic densities, unlike the homogeneous system. The latter oscillation is related to the exchange oscillation observed in magnetic multilayers. A crossover between regimes of thin to thick layers has also been observed.

Structural analyzes of the use of residues of tires in reinforced concrete

The search for an adequate destination to the tires without use is a problem for many countries. The use of tire rubber in concrete through the partial substitution of the small aggregate has for objective the withdrawal of this material of the environment besides serving as alternative material in places that present sand scarcity. However, to use this type of concrete in civil construction it's necessary to verify its structural behavior. The behavior of the adherence enters the bar of armor and the concrete surrounding it has decisive importance with relation to the load capacity of the structures of reinforced concrete. In this context, this work presents, argues and evaluates the results of the experimental studies for determination of the adherence tension according to pulling up assays pull-out normalized for CEB RC6 and also related in the ASTM C-234 in concrete with and without rubber residues. Armors of nominal diameter of 10,0; 12,5 and 16 mm had been used and concrete contend 10% of rubber fibres in substitution to the sand in volume.

Central nifedipine-induced alterations in salivary flow and compounds: Role of nitric oxide

The aim of this study was to examine the role of nifedipine and Nitric Oxide (NO) on salivary flow and compounds (salivary amylase, saliva total proteins, saliva calcium, sodium and potassium). Male Holtzman rats weighting 200-250 g were anesthetized with zoletil 50 mg kg -1 (tiletamine chloridrate 125.0 mg and zolazepan chloridrate 125.0 mg) into quadriceps muscle and stainless steel cannulas were implanted into their lateral ventricle of the brain (LV). Animals in divided group were injected with nifedipine (50 μg μL -1) alone and in combination with 7-nitroindazol (7-NIT) (40 μg μL -1), neuronal NO Sinthase Inhibitor (nNOSI) and Sodium Nitroprussate (SNP) (30 μg μL -1) NO donor agent. As a secretory stimuli, pilocarpine dissolved in isotonic was administered intraperitoneally (ip) at a dosage of 10 mg kg -1 body weight. Saliva was collected for 7 min with four cotton balls weighing approximately 20 mg each, two of which were placed on either side of the oral cavity, with the other two placed under the tongue. Nifedipine treatment induced a reduction in saliva secretion rate and concentration of amylase, total protein and calcium without changes in sodium and potassium concentration in comparison with controls. Co-treatment of animals with nifedipine and SNP retained flow rate and concentration of amylase, total protein and calcium in normal levels. Co-treatment of animals with nifedipine and 7-NIT potentiated the effect of nifedipine on the reduction of saliva secretion and concentrations of amylase, total protein and calcium. Nifedipine (dihydroperidine) calcium-channel blocker widely in use is associated with salivary dysfunction acting in the central nervous system structures. NO might be the mechanism for protective effect against the nifedipine-induce salivary dysfunction, acting in the CNS. © 2006 Asian Network for Scientific Information.

Nitrergic pathways and L-type calcium channel of MnPO influencing cardiovascular homeostasis

The median preoptic nucleus (MnPO) is one of most important site of the lamina terminalis implicated in the regulation of hydro electrolytic and cardiovascular balance. The purpose of this study was to determine the effect of L-Type calcium channel antagonist, nifedipine, on the increase of median arterial blood pressure (MAP) induce by angiotensin II (ANG II) injected into the MnPO. The influence of nitric oxide (NO) on nifedipine antipressor action has also been studied by utilizing N W-nitro-L-arginine methyl ester (L-NAME) (40 μg 0.2 μL -1) a NO synthase inhibitor (NOSI), 7-nitroindazole (7-NIT) (40 μg 0.2 μL -1), a specific neuronal NO synthase inhibitor (nNOSI) and sodium nitroprusside (SNP) (20 μg 0.2 μL -1) a NO donor agent. We have also investigated the central role of losartan and PD123349 (20 nmol 0.2 μL -1), AT 1 and AT 2, respectively (selective non peptide ANG II receptor antagonists), in the pressor effect of ANG II (25 pmol 0.2 μL -1) injected into the MnPO. Male Wistar rats weighting 200-250 g, with cannulae implanted into the MnPO were utilized. Losartan injected into the MnPO, prior to ANG II, blocked the pressor effect of ANGII. PD 123319 only decreased the pressor effect of ANG II. Rats pre-treated with either 50 μg 0.2 μL -1 or 100 μg 0.2 μL -1 of nifedipine, followed by 25 pmol 0.2 μL -1 of ANG II, decreased ANG II-pressor effect. L-NAME potentiated the pressor effect of ANG II. 7-NIT injected prior to ANG II into the MnPO also potentiated the pressor effect of ANGII but with less intensity than that of L-NAME. SNP injected prior to ANG II blocked the pressor effect of ANG II. The potentiation action of L-NAME and 7-NIT on ANG II-pressor effect was blocked by prior injection of nifedipine. The results described in this study provide evidence that calcium channels play important roles in central ANG II-induced pressor effect. The structures containing NO in the brain, such as MnPO, include both endothelial and neuronal cells, which might be responsible for the influence of nifedipine on the pressor effect of ANG II. These data have shown the functional relationship between L-Type calcium channel and a free radical gas NO in the MnPO, on the control of ANG II-induced pressor effect acting in AT 1 and AT 2 receptors.

Floral anatomy of Paepalanthoideae (Eriocaulaceae, Poales) and their nectariferous structures

• Background and Aims: Eriocaulaceae (Poales) is currently divided in two subfamilies: Eriocauloideae, which comprises two genera and Paepalanthoideae, with nine genera. The floral anatomy of Actinocephalus polyanthus, Leiothrix fluitans, Paepalanthus chlorocephalus, P. flaccidus and Rondonanthus roraimae was studied here. The flowers of these species of Paepalanthoideae are unisexual, and form capitulum-type inflorescences. Staminate and pistillate flowers are randomly distributed in the capitulum and develop centripetally. This work aims to establish a floral nomenclature for the Eriocaulaceae to provide more information about the taxonomy and phylogeny of the family. • Methods: Light microscopy, scanning electron microscopy and chemical tests were used to investigate the floral structures. • Key Results: Staminate and pistillate flowers are trimerous (except in P. flaccidus, which presents dimerous flowers), and the perianth of all species is differentiated into sepals and petals. Staminate flowers present an androecium with scale-like staminodes (not in R. roraimae) and fertile stamens, and nectariferous pistillodes. Pistillate flowers present scale-like staminodes (except for R. roraimae, which presents elongated and vascularized staminodes), and a gynoecium with a hollow style, ramified in stigmatic and nectariferous portions. • Conclusions: The scale-like staminodes present in the species of Paepalanthoideae indicate a probable reduction of the outer whorl of stamens present in species of Eriocauloideae. Among the Paepalanthoideae genera, Rondonanthus, which is probably basal, shows vascularized staminodes in their pistillate flowers. The occurrence of nectariferous pistillodes in staminate flowers and that of nectariferous portions of the style in pistillate flowers of Paepalanthoideae are emphasized as nectariferous structures in Eriocaulaceae. © The Author 2006. Published by Oxford University Press on behalf of the Annals of Botany Company. All rights reserved.

Determination of the volume fraction of retained austenite in a 300m steel by heat tinting technique

Applying the Heat Tinting Technique the microestrutural characterization of a 300M steel (medium carbon steel) was accomplished. The steel was austenitized for 20 min to 900°C, followed by holding at 400°C (in the bainitic temperature), with maintenance time of the material in the temperature of 1min, 5min and 30min, aiming at the formation of a multiphase structure. Through the metallographic analysis it is verified that, with the use of this technique, it is possible the determination of the volume fraction of the present phases in the 300M steel, especially in the identification and quantification of the retained austenite. Copyright © 2007 SAE International.

Fatigue apparatus for geometrically complex non-standardized specimens

Standard Test Methods (e.g. ASTM, DIN) for materials characterization in general, and for fatigue in particular, do not contemplate specimens with complex geometries, as well as the combination of axial and in-plane bending loads in their methodologies. The present study refers to some patents and the new configuration or configurations of specimens (non-standardized by the status quo of test methods) and a device developed to induce axial and bending combined forces resultants from axial loads applied by any one test equipment (dynamic or monotonic) which possesses such limitation, towards obtaining more realistic results on the fatigue behavior, or even basic mechanical properties, from geometrically complex structures. Motivated by a specific and geometrically complex aeronautic structure (motor-cradle), non-standardized welded tubular specimens made from AISI 4130 steel were fatigue-tested at room temperature, by using a constant amplitude sinusoidal load of 20 Hz frequency, load ratio R = 0.1 with and without the above referred auxiliary fatigue apparatus. The results showed the fatigue apparatus was efficient for introducing higher stress concentration factor at the welded specimen joints, consequently reducing the fatigue strength when compared to other conditions. From the obtained results it is possible to infer that with small modifications the proposed apparatus will be capable to test a great variety of specimen configurations such as: squared tubes and plates with welded or melted junctions, as well as other materials such as aluminum, titanium, composites, polymeric, plastics, etc. © 2009 Bentham Science Publishers Ltd.

Structural change and productivity growth, 20 years later: old problems, new opportunities

Includes bibliography

Market failure and technological policy

Includes bibliography

Science and technology policy and the National Innovation System in Argentina

Includes bibliography

Determinants of technological innovation in Argentina and Brazil

Includes bibliography

Identification of steel bars immersed in reinforced concrete based on experimental results of eddy current testing and artificial neural network analysis

This paper presents an experimental research on the use of eddy current testing (ECT) and artificial neural networks (ANNs) in order to identify the gauge and position of steel bars immersed in concrete structures. The paper presents details of the ECT probe and concrete specimens constructed for the tests, and a study about the influence of the concrete on the values of measured voltages. After this, new measurements were done with a greater number of specimens, simulating a field condition and the results were used to generate training and validation vectors for multilayer perceptron ANNs. The results show a high percentage of correct identification with respect to both, the gauge of the bar and of the thickness of the concrete cover. © 2013 Copyright Taylor and Francis Group, LLC.