32 resultados para Cr^4

em Repositório Institucional UNESP - Universidade Estadual Paulista "Julio de Mesquita Filho"


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The Generator Coordinate Hartree-Fock (GCHF) method is employed to design 16s, 16s10p, 24s17p13d, 25s17p13d, and 26s17p Gaussian basis sets for the H ((2)S), O ((3)P), O(2-) ((1)S), Cr(3+) ((4)F), Cr(4+) ((3)F), and Cr(6+) ((1)S) atomic species. These basis sets are then contracted to (4s) for H ((2)S), (6s4p) for O ((3)P), and O(2-) ((1)S), (986p3d) for Cr(3+) ((4)F), (10s8p3d) for Cr(4+) ((3)F), and (13s7p) for Cr(6+) (1S) by a standard procedure. For evaluation of the quality of those basis sets in molecular calculations, we have accomplished studies of total and orbital (HOMO and HOMO-1) energies at the HF-Roothaan level for the molecular species of our interest. The results obtained with the contracted basis sets are compared to the values obtained with our extended basis sets and to the standard 6-311G basis set from literature. Finally, the contracted basis sets are enriched with polarization function and then utilized in the theoretical interpretation of IR-spectrum of hexaaquachromium (III) ion, [Cr(H(2)O)(6)](3+), tetraoxochromium (IV) ion, [CrO(4)](4-), and tetraoxochromium (VI) ion, [CrO(4)](2-). The respective theoretical harmonic frequencies and IR-intensities were computed at the density functional theory (DFT) level. In the DFT calculations we employed the Becke's 1988 functional using the LYP correlation functional. The comparison between the results obtained and the corresponding experimental values indicates a very good description of the IR-spectra of the molecular ions studied, and that the GCHF method is still a legitimate alternative for selection of Gaussian basis sets. (C) 2003 Elsevier B.V. All rights reserved.

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A large number of metal alloys are used in Dentistry for the manufacture of fixed and removable dentures. In the oral cavity, these structures are exposed to a chemically aggressive medium, like saliva and mechanical efforts, like mastication. In addition, acidic solutions containing fluoride ions are also frequently used in dental treatments to prevent dental plates and decays development. In this context, it was considered important to investigate the influence that a fourth element could exert when added to the ternary alloy Ni-Cr-Mo, largely used in Brazil. Therefore, electrochemical tests were done to evaluate the resistance to corrosion of quaternary alloy 65Ni-25Cr-5Mo-5Ta and 65Ni-25Cr-5Mo-5W in NaF solution 0,08mol / L, pH = 4.7. For greater understanding the microstructure and morphology of alloys were studied, through metallographic analysis, using optics microscopy and electron microscopy scanning. For the electrochemical tests were applied techniques traditionally used in corrosion researches, such as: potential measures in open circuit (OCP) and cyclic polarization (CP). It was found that both quaternary alloys showed very similar results. Comparing these quaternary alloys with the ternary 65Ni-25Cr-10Mo, it was found that the quaternary alloys exhibit greater resistance to corrosion, in other words, less passivation current density than the ternary alloy, showing that it is advantageous to add a fourth element in the alloy

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A resistência de genótipos de abobrinha italiana Cucurbita pepo L. à broca das cucurbitáceas Diaphania nitidalis Cr. foi avaliada a campo. O genótipo Duda apresentou o maior número de frutos produzidos (33 frutos/parcela), enquanto Lita-186 foi o mais preferido, com a maior percentagem de frutos broqueados (3,6%). Os genótipos AG-202, Lita-186 e Duda, mais o inseticida deltametrina 25 CE foram avaliados. Duda comportou-se novamente como mais produtivo (35 frutos/parcela) e menos danificado (0,35%), confirmando os resultados obtidos no primeiro ensaio; já os genótipos AG-202 e Lita-186 revelaram-se os mais preferidos por D. nitidalis, com maiores índices de frutos danificados (2,7 e 6,3%, respectivamente).

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The acute toxicity of 2,4-dichlorophenoxyacetic acid (2,4-D), a herbicide, was studied in chicks dosed with 100, 300, 500, or 600 mg 2,4-D/kg BW, by the oral route. Clinical, laboratory, and histopathological methods were used as indicators of toxicity. After acute exposure, the herbicide decreased motor activity and induced muscular weakness and motor incoordination; decreased weight gain; increased serum creatine kinase (CK) and alkaline phosphatase (AP) activities and serum uric acid (UA), creatinine (CR), and total proteins (TP) levels; and did not change serum aspartate aminotransferase (AST) or alanine aminotransferase (ALT) activities. These changes were time-and dose-dependent and reversible. The LD50 (lethal dose 50%) calculated for oral 2,4-D in chicks was 420 mg/kg BW (385 to 483). Chromatographic analysis of the serum of the intoxicated chicks showed the presence of the herbicide; the amount found was dose-and time-dependent, increasing from 2 to 8 h after exposure and decreasing afterwards. Histopathological post-mortem studies conducted on intoxicated chicks showed hepatic (vacuolar degeneration of the hepatocytes), renal (tubular nephrosis), and intestinal (hemorragic) lesions. Taken together, the observed alterations mainly reflected kidney and muscle tissue damage, although hepatic toxicity may also have occurred after acute 2,4-D intoxication.

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The purpose of this study was to investigate the histological changes that occur in rat soft and hard tissues after Er,Cr:YSGG laser surgery. Each of 20 rats was submitted to four procedures which were randomly distributed to the right and left sides of the animal: procedure 1 dorsal incision with a scalpel; procedure 2 dorsal incision with a 2.0-W Er,Cr:YSGG laser; procedure 3 skull defect created with a diamond bur; procedure 4 skull defect created with a 3.0-W Er,Cr:YSGG laser. The animals were killed 3, 7, 15 and 30 days after surgery, and histological examinations were performed. The histometric analysis of the bone defects was evaluated using an unpaired t-test. Initially, the dorsum showed more histological signs of repair following procedure 1, although similar healing responses following procedures 1 and 2 were seen on day 30 after surgery. By day 30 the bone formation observed following procedure 4 was much more evident than following procedure 3. The unpaired t-test identified significant differences in bone formation on day 30 (p = 0.01), whereas a greater bone percentage was seen following procedure 4 than following procedure 3 (79.96 +/- 10.30% and 58.23 +/- 9.99%, respectively). Thus, histological repair of the Er,Cr:YSGG laser wounds was similar to that of the scalpel wounds. However, skull defects created with the Er,Cr:YSGG laser showed greater bone formation than defects created with the bur. Within the limitations of this study, we can conclude that the Er,Cr:YSGG laser is a promising surgical instrument in vivo, particularly for bone surgery.

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The purpose of this study was to investigate the bond strength of fiber post previously laser treated root canals. Forty single-rooted bovine teeth were endodontically treated, randomly and equally divided into two main groups according to the type of pretreatment: G1: 2.5% NaOCl (control group); and G2: Er,Cr:YSGG laser. Each group was further subdivided into 2 groups based on the category of adhesive systems/ luting materials used: a: an etch-and-rinse resin cement (Single Bond/RelyX ARC; 3M ESPE), and b: a self-adhesive resin cement (Rely X Unicem; 3M ESPE). Three 1.5 mm thick slabs were obtained per root and the push-out test was performed at a crosshead speed of 0.5 mm/min until post dislodgement occurred. Data were analyzed by ANOVA and post-hoc Tukey's test at a pre-set alpha of 0.05. Analysis of variance showed no statistically significant difference (p > 0.05) among the groups G1a (25.44 ± 2.35) and G1b (23.62 ± 3.48), G2a (11.77 ± 2.67) and G2b (9.93 ± 3.37). Fractures were observed at the interface between the dentin and the resin in all groups. The Er,Cr:YSGG laser irradiation did not influence on the bond strength of the resin cements and the etch-and-rinse resin cement had better results on bond strength than self-adhesive resin cement.

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Statement of problem. Different combinations of Co-Cr alloys bonded to ceramic have been used in dentistry; however, the bond strength of ceramic to metal can vary because of different compositions of these alloys.Purpose. The purpose of this study was to evaluate the shear bond strength of a dental ceramic to 5 commercially available Co-Cr alloys.Material and methods. Five Co-Cr alloys (IPS d.SIGN 20, IPS d.SIGN 30, Remanium 2000, Heranium P, and Wirobond C) were tested and compared to a control group of an Au-Pd alloy (Olympia). Specimen disks, 5 mm high and 4 mm in diameter, were fabricated with the lost-wax technique. Sixty specimens were prepared using opaque and dentin ceramics (VITA Omega 900), veneered, 4 mm high and 4 mm in diameter, over the metal specimens (n = 10). The shear bond strength test was performed in a universal testing machine with a crosshead speed of 0.5 mm/min. After shear bond testing, fracture surfaces were evaluated in a stereomicroscope under x25 magnification. Ultimate shear bond strength (MPa) data were analyzed with 1-way ANOVA and the Tukey HSD test (alpha = .05).Results. The mean (SID) bond strengths (MPa) were: 61.4 (7.8) for Olympia; 94.0 (18.9) for IPS 20; 96.8 (10.2) for I PS 30; 75.1 (12.4) for Remanium; 71.2 (14.3) for Heranium P; and 63.2 (10.9) for Wirobond C. Mean bond strengths for IPS 20 and IPS 30 were not significantly different, but were significantly (P<.001) higher than mean bond strengths for the other 4 alloys, which were not significantly different from each other.Conclusions. Bond strength of a dental ceramic to a Co-Cr alloy is dependent on the alloy composition.

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