984 resultados para MELCOR 2.1


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Suramin is a highly charged polysulfonated napthylurea that interferes in a number of physiologically relevant processes such as myotoxicity, blood coagulation and several kinds of cancers. This synthetic compound was complexed with a myotoxic Lys49 PLA(2) from Bothrops asper venom and crystallized by the hanging-drop vapor diffusion method at 18 degreesC. The crystals belong to the orthorhombic space group P2(1)2(1)2(1), with unit cell parameters a=49.05, b=63.84 and c=85.67 Angstrom, Diffraction data was collected to 1.78 Angstrom. (C) 2004 Elsevier B.V. All rights reserved.

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Analytical models for studying the dynamical behaviour of objects near interior, mean motion resonances are reviewed in the context of the planar, circular, restricted three-body problem. The predicted widths of the resonances are compared with the results of numerical integrations using Poincare surfaces of section with a mass ratio of 10(-3) (similar to the Jupiter-Sun case). It is shown that for very low eccentricities the phase space between the 2:1 and 3:2 resonances is predominantly regular, contrary to simple theoretical predictions based on overlapping resonance. A numerical study of the 'evolution' of the stable equilibrium point of the 3:2 resonance as a function of the Jacobi constant shows how apocentric libration at the 2:1 resonance arises; there is evidence of a similar mechanism being responsible for the centre of the 4:3 resonance evolving towards 3:2 apocentric libration. This effect is due to perturbations from other resonances and demonstrates that resonances cannot be considered in isolation. on theoretical grounds the maximum libration width of first-order resonances should increase as the orbit of the perturbing secondary is approached. However, in reality the width decreases due to the chaotic effect of nearby resonances.

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A spectrum-generating q-algebra, within the framework of SUq(2), as firstly suggested by Iachello, is studied in order to describe the mass spectrum of three generations of quarks and leptons. The SUq(2) quantum group is a q-deformed extension of SU(2), where q = e(alpha) (with alpha real) is the deformation parameter. In this work, the essential use of inequivalent representations of SUq(2) is introduced. The inequivalent representations are labelled by (j, nu(0)), where j = 0, 1/2, 1, ... and nu(0) is a positive real number. A formula for the fermion masses M-m(j, nu(0)), with -j less than or equal to m less than or equal to j is derived. As an example, a possible scheme which corresponds to two triplets (j = 1) associated to up and down quarks is presented here in some detail. They are associated to different values of the deformation parameter, indicating a dependence of the charge Q on the parameter alpha. The masses of the charged leptons are treated in a similar way. The current results show that some mass relations for quarks and leptons found in the literature can be considered as approximations of the equations obtained in the j = 1 representations. The breaking of SUq(2) necessary to describe the Cabibbo-Kobayashi-Maskawa (CKM) flavor mixing is briefly discussed.

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

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The synthesis, spectroscopic characterization, and thermal analysis of the compounds [Pd(X)(2)(mtu)(PPh3)] (X = Cl- (1), SCN- (2); mtu = N-methylthiourea; PPh3 = triphenylphosphine) and [Pd(X)(2)(phtu)(PPh3)] (X = Cl- (3), SCN- (4); phtu = N-phenylthiourea) are described. The thermal decomposition of the compounds occurs in two, three, or four stages and the final decomposition products were identified as Pd-0 by X-ray powder diffraction. The thermal stability order of the complexes is 4 > 3 > 2 > 1.

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The study evaluated, in early post-partum anoestrous Nelore cows, if the increase in plasma oestradiol (E2) concentrations in the pre-ovulatory period and/or progesterone priming (P4 priming) preceding ovulation, induced by hormonal treatment, reduces the endogenous release of prostaglandin PGF(2)alpha and prevents premature lysis of the corpus luteum (CL). Nelore cows were subjected to temporary calf removal for 48 h and divided into two groups: GPE/eCG group (n = 10) and GPG/eCG group (n = 10). Animals of the GPE/eCG group were treated with a GnRH agonist. Seven days later, they received 400 ID of eCG, immediately after PGF(2)alpha treatment, and on day 0, 1.0 mg of oestradiol benzoate (EB). Cows of the GPG/eCG group were similarly treated as those of the GPE/eCG group, except that EB was replaced with a second dose of GnRH. All animals were challenged with oxytocin (OT) 9, 12, 15 and 18 days after EB or GnRH administration and blood samples were collected before and 30 min after OT. Irrespective of the treatments, a decline in P4 concentration on day 18 was observed for cows without P4 priming. However, animals exposed to P4 priming, treated with EB maintained high P4 concentrations (8.8 +/- 1.2 ng/ml), whereas there was a decline in P4 on day 18 (2.1 +/- 1.0 ng/ml) for cows that received GnRH to induce ovulation (p < 0.01). Production of 13,14-dihydro-15-keto prostaglandin F-2 alpha (PGFM) in response to OT increased between days 9 and 18 (p < 0.01), and this increase tended to be more evident in animals not exposed to P4 priming (p < 0.06). In conclusion, the increase in E2 during the pre-ovulatory period was not effective in inhibiting PGFM release, which was lower in P4-primed than in non-primed animals. Treatment with EB promoted the maintenance of elevated P4 concentrations 18 days after ovulation in P4-primed animals, indicating a possible beneficial effect of hormone protocols containing EB in animals with P4 priming.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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The preparation and characterization of (Ph3AsOH)2[CuBr4] and [Cu(Ph3AsO)4][CuBr4] are reported (Ph3AsO = triphenylarsine oxide). Crystallographic analysis of the monoclinic crystals of (Ph3AsOH)2[CuBr4] (space group C2/c, a = 17.569 (3) Å, b = 13.090 (2) Å, c = 16.933 (2) Å, and β = 105.64 (2)°, R = 0.055 and Rw = 0.057) revealed the presence of compressed [CuBr4]2- tetrahedra of C2 symmetry with Cu-Br distances of 2.340 (1) and 2.437 (1) Å and trans-Br-Cu-Br angles of 139.2 (1) and 122.4 (1)°. The oxonium cations hydrogen bond to the bromine atoms involved in the longer Cu-Br bonds and the smaller trans-Br-Cu-Br angle. Single-crystal electronic and EPR spectra are interpreted in terms of the observed [CuBr4]2- geometry. Analysis of the electronic and EPR spectra of [Cu(Ph3AsO)4][CuBr4] led to the postulation of the presence of planar [Cu(Ph3AsO)4]2+ cations and distorted tetrahedral [CuBr4]2- anions. © 1992 American Chemical Society.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Solid-state compounds with a general formula of LnL3· nH2O, where Ln stands for lighter trivalent lanthanides (lanthanum to samarium), L is 2-methoxybenzylidenepyruvate and n=1.5, 2, 2, 1.5 and 2, respectively, have been synthesized. On heating these compounds are decompose in two or three steps. They lose their hydration water in the first step and the thermal decomposition of the anhydrous compounds occurs with the formation of the respective oxide, CeO2, Pr6O11 and Ln 2O3 (Ln=La, Nd, Sm) as final residue. The dehydration enthalpies found for these compounds (La to Sm) were: 222.7, 163.6, 497.7, 513.9 and 715.4 kJ mol-1, respectively. © 2005 Akadémiai Kiadó, Budapest.

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The c. 600 Ma Brasiliano Borborema Province of NE Brazil comprises a complex collage of Precambrian crustal blocks cut by a series of continental-scale shear zones. The predominant basement rocks in the province are 2.1-2.0 Ga Transamazonian gneisses of both juvenile and reworked nature. U-Pb zircon and Sm-Nd whole-rock studies of tonalite-trondhjemite-granodiorite basement gneisses in the NW Ceará or Médio Coreaú domain in the northwestern part of the Borborema Province indicate that this represents a continental fragment formed by 2.35-2.30 Ga juvenile crust. This block has no apparent genetic affinity with any other basement gneisses in the Borborema Province, and it does not represent the tectonized margin of the c. 2.1-2.0 Ga São Luis Craton to the NW. The petrological and geochemical characteristics, as well as the Nd-isotopic signatures of these gneisses, are consistent with their genesis in an island arc setting. This finding documents a period of crustal growth during a period of the Earth's history which is known for its tectonic quiescence and paucity of crust formation. © Geological Society of London 2009.

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Exploitation of the electronic properties of carbon nanotubes for the development of voltammetric and amperometric sensors to monitor analytes of environmental relevance has increased in recent years. This work reports the development of a biomimetic sensor based on a carbon paste modified with 5,10,15,20-tetrakis(pentafluorophenyl)-21H,23H-porphyrin iron (III) chloride (a biomimetic catalyst of the P450 enzyme) and multi-wall carbon nanotubes (MWCNT), for the sensitive and selective detection of the herbicide 2,4- dichlorophenoxyacetic acid (2,4-D). The sensor was evaluated using cyclic voltammetry and amperometry, for electrochemical characterization and quantification purposes, respectively. Amperometric analyses were carried out at -100 mV vs. Ag/AgCl(KClsat), using a 0.1 mol L-1 phosphate buffer solution at pH 6.0 as the support electrolyte. Under these optimized analytical conditions, the sensor showed a linear response between 9.9 × 10-6 and 1.4 × 10-4 mol L-1, a sensitivity of 1.8 × 104 (±429) μA L mol -1, and limits of detection and quantification of 2.1 × 10 -6 and 6.8 × 10-6 mol L-1, respectively. The incorporation of functionalized MWCNT in the carbon paste resulted in a 10-fold increase in the response, compared to that of the biomimetic sensor without MWCNT. In addition, the low applied potential (-100 mV) used to obtain high sensitivity also contributed to the excellent selectivity of the proposed sensor. The viability of the application of this sensor for analysis of soil samples was confirmed by satisfactory recovery values, with a mean of 96% and RSD of 2.1% (n = 3). © 2013 Elsevier B.V.

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Termites can degrade up to 90% of the lignocellulose they ingest using a repertoire of endogenous and symbiotic degrading enzymes. Termites have been shown to secrete two main glycoside hydrolases, which are GH1 (EC 3.2.1.21) and GH9 (EC 3.2.1.4) members. However, the molecular mechanism for lignocellulose degradation by these enzymes remains poorly understood. The present study was conducted to understand the synergistic relationship between GH9 (CgEG1) and GH1 (CgBG1) from Coptotermes gestroi, which is considered the major urban pest of São Paulo State in Brazil. The goal of this work was to decipher the mode of operation of CgEG1 and CgBG1 through a comprehensive biochemical analysis and molecular docking studies. There was outstanding degree of synergy in degrading glucose polymers for the production of glucose as a result of the endo-β-1,4-glucosidase and exo-β-1,4-glucosidase degradation capability of CgEG1 in concert with the high catalytic performance of CgBG1, which rapidly converts the oligomers into glucose. Our data not only provide an increased comprehension regarding the synergistic mechanism of these two enzymes for cellulose saccharification but also give insight about the role of these two enzymes in termite biology, which can provide the foundation for the development of a number of important applied research topics, such as the control of termites as pests as well as the development of technologies for lignocellulose-to-bioproduct applications. © 2013 Elsevier Ltd.

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)