Structure Elucidation and Absolute Stereochemistry of Isomeric Monoterpene Chromane Esters

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

Population structure, distribution and abundance patterns of the patagonian smoothhound Mustelus schmitti Springer, 1939 (Chondrichthyes, Elasmobranchii, Triakidae) in the rio de La Plata and inner continental shelf , sw Atlantic ocean (34º30'-39º30'S)

Um total de 4824 Mustelus schmitti foi amostrado. As fêmeas apresentaram comprimento total de 25-93 cm na primavera e 28-90 cm no verão enquanto os machos apresentaram 34-82 e de 28-77 cm, respectivamente. A composição de comprimentos da população mostrou diferenças significativas entre primavera e verão sendo as fêmeas maiores do que os machos. A distribuição de comprimento total não variou significativamente entre cruzeiros. A densidade variou significativamente entre cruzeiros nos machos sendo que a variação não foi expressiva nas fêmeas. No cruzeiro da primavera, ambos os sexos ocorreram em profundidades menores do que 50 m, as fêmeas ocorrendo em toda a área de estudo, as adultas somente acima da latitude 35°30'S. Os machos adultos foram observados em toda a área sendo que os imaturos somente em dois arrastos na Bahia de Samborombón. O cruzeiro de verão mostrou uma distribuição descontínua da espécie ao longo da área de estudo, resultando na segregação espacial em dois grupos, com predominância de fêmeas imaturas em ambos.

Radiopacity of esthetic restorative materials compared with human tooth structure

Purpose : To compare the radiopacity of 13 restorative materials, (a conventional glass-ionomer cement, three resin-modified glass-ionomer cements, six polyacid-modified resin-based composites, and three resin-based composites) to sound tooth structure. Materials and Methods: 315 specimens were made of the restorative materials (n= 21), of 2 min height and 4.1 mm diameter. Radiographs were taken of the specimens, together with the tooth structure sample and an aluminum step wedge. The radiopacity values of each specimen were taken using a transmission densitometer. Results: ANOVA and Tukey's test (95% level of confidence) revealed that, except for a resin-based composite, a polyacid-modified resin-based composite, a resin-modified glass-ionomer cement and the conventional glass-ionomer cement, all the evaluated restorative materials were more radiopaque than the tooth structure.

Structure, mobility and clustering of interstitial O in La2CuO4+delta in the limit of small delta

Anelastic spectra (elastic energy absorption as a function of temperature) are reported which provide evidence that excess O in La2CuO4+delta starts forming two different types of defects already at very low concentrations, where no phase separation or changes in the type of O intercalation are believed to occur. The absorption peak with the lowest activation enthalpy, H/k(B) = 5600 K, is visible at lowest values of delta and is attributed to the hopping of single interstitial O2- ions. The second process, with a slightly slower dynamics, appears at higher values of delta and soon becomes preponderant over the former process. The latter process is proposed to be due to stable pairs of O atoms and is put in connection with the formation of partially covalent bonds between interstitial and apical oxygen; such bonds would reduce the doping efficiency of excess O at increasing delta. The geometry of the interstitial O defect is discussed. O 1998 Published by Elsevier B.V. B.V. All rights reserved.

Variable structure controller and observer applied to induction machine

This work will propose the control of an induction machine in field coordinates with imposed stator current based on theory of variable structure control and sliding mode. We describe the model of an induction machine in field coordinates with imposed stator current and we show the design of variable structure control and sliding mode to get a desirable dynamic performance of that plant. To estimate the inaccessible states we will use a state observer (estimator) based on field coordinates induction machine. We will present the results of simulations in any operation condition (start, speed reversal and load) and with parameters variation of the machine compared to a PI control scheme.

Automated NMR structure determination and disulfide bond identification of the myotoxin crotamine from Crotalus durissus terrificus

Crotamine is one of four major components of the venom of the South American rattlesnake Crotalus durissus terrificus. Similar to its counterparts in the family of the myotoxins, it induces myonecrosis of skeletal muscle cells. This paper describes a new NMR structure determination of crotamine in aqueous solution at pH 5.8 and 20 degrees C, using standard homonuclear (1)H NMR spectroscopy at 900 MHz and the automated structure calculation software ATNOS/CANDID/DYANA. The automatic NOESY spectral analysis included the identification of a most likely combination of the six cysteines into three disulfide bonds, i.e. Cys4-Cys36, Cys11-Cys30 and Cys18-Cys37; thereby a generally applicable new computational protocol is introduced to determine unknown disulfide bond connectivities in globular proteins. A previous NMR structure determination was thus confirmed and the structure refined. Crotamine contains an alpha-helix with residues 1-7 and a two-stranded anti-parallel beta-sheet with residues 9-13 and 34-38 as the only regular secondary structures. These are connected with each other and the remainder of the polypeptide chain by the three disulfide bonds, which also form part of a central hydrophobic core. A single conformation was observed, with Pro13 and Pro21 in the trans and Pro20 in the cis-form. The global fold and the cysteine-pairing pattern of crotamine are similar to the beta-defensin fold, although the two proteins have low sequence homology, and display different biological activities. (c) 2005 Elsevier Ltd. All rights reserved.

Synthesis, crystal structure, spectroscopic and electrochemical characterization of the dinuclear complex {tetra-mu-[(+/-)-2-(p-methoxyphenoxy)-propionato-O,O']bis(aqua)dicopper(II)}

Structural, electrochemical and spectroscopic data of a new dinuclear copper(II) complex with (+/-)-2-(p- methoxyphenoxy) propionic acid are reported. The complex {tetra-mu-[(+/-)-2-(p-methoxyphenoxy)propionato-O,O']-bis( aqua) dicopper(II)} crystallizes in the monoclinic system, space group P2(1)/n with a = 14.149(1) angstrom, b = 7.495(1) angstrom, c = 19.827(1) angstrom, beta = 90.62(1) and Z = 4. X-ray diffraction data show that the two copper(II) ions are held together through four carboxylate bridges, coordinated as equatorial ligands in square pyramidal geometry. The coordination sphere around each copper ion is completed by two water molecules as axial ligands. Thermogravimetric data are consistent with such results. The ligand has an L' type shape due to the angle formed by the beta-carbon of the propionic chain and the linked p-methoxyphenoxy group. This conformation contributes to the occurrence of a peculiar structure of the complex. The complex retains its dinuclear nature when dissolved in acetonitrile, but it decomposes into the corresponding mononuclear species if dissolved in ethanol, according to the EPR measurements. Further, cyclic voltammograms of the complex in acetonitrile show that the dinuclear species maintains the same structure, in agreement with the EPR data in this solvent. The voltammogram shows two irreversible reduction waves at E-pc = -0.73 and -1.04 V vs. Ag/AgCl assigned to the Cu(II)/ Cu(I) and Cu(I)/Cu degrees redox couples, respectively, and two successive oxidation waves at E-pa = -0.01 and +1.41 V vs. Ag/AgCl, assigned to the Cu degrees/Cu(I) and Cu( I)/Cu( II) redox couples, respectively, in addition to the oxidation waves of the carboxylate ligand.

Structure, microstructure and dielectric properties of 100-x(Bi0.5Na0.5)TiO3-x[SrTiO3] composites ceramics

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

DFT Study with Inclusion of the Grimme Potential on Anatase TiO2: Structure, Electronic, and Vibrational Analyses

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

In vitro evaluation of surface roughness of 4 resin composites after the toothbrushing process and methods to recover superficial smoothness.

OBJECTIVE: This study evaluated the efficiency of repolishing, sealing with surface sealant, and the joining of both in decreasing the surface roughness of resin-based composites after a toothbrushing process. METHOD AND MATERIALS: Ten specimens of each composite (Alert, Z100, Definite, and Prodigy Condensable), measuring 2 mm in thickness and 4 mm in diameter, were made and submitted to finishing and polishing processes on both sides of the specimens using the Sof-Lex system. The specimens were then subjected to toothbrushing (30,000 cycles), and surface roughness (Ra) was analyzed with a Surfcorder SE 1700 profilometer. The upper surface of each composite was etched with 37% phosphoric acid, and the surface-penetrating sealant Protect-it was applied on 1 surface. The roughness of these surfaces was again measured. On the other side, the surface of the specimen was repolished, and the efficiency of this procedure was measured using the profilometer. The surface roughness resulting from the joining of the 2 methods was verified by applying, in the final stage, the surface-penetrating sealant on the repolished surface. Data were analyzed with analysis of variance and Tukey test (P <.05). RESULTS: Results showed that the lowest surface roughness values were obtained for Definite, Z100, and Prodigy Condensable after the repolishing process and after the repolishing plus sealing. For Alert, the joining of repolishing plus sealing promoted the lowest values of surface roughness. CONCLUSION: Of the resin-based composites, Alert demonstrated the highest values of surface roughness in all the techniques tested.

Modelos macroeconómicos y planificación en un porvenir incierto: la experiencia francesa = Macroeconomic models and planning in the context of an uncertain future: the French experience

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A proposal for reliability evaluation of components on electric power distribution system integrating probabilistic models and fuzzy inference systems

The system reliability depends on the reliability of its components itself. Therefore, it is necessary a methodology capable of inferring the state of functionality of these components to establish reliable indices of quality. Allocation models for maintenance and protective devices, among others, have been used in order to improve the quality and availability of services on electric power distribution systems. This paper proposes a methodology for assessing the reliability of distribution system components in an integrated way, using probabilistic models and fuzzy inference systems to infer about the operation probability of each component. © 2012 IEEE.

Conceptos y métodos de cálculo de la relación de precios del intercambio exterior = The concept of terms of trade and methods of computation

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