Synthesis and pharmacological properties of TOAC-labeled angiotensin and bradykinin analogs

Angiotensin II (AngII) and bradykinin (BK) derivatives containing the TOAC (2,2,6,6-tetramethylpiperidine-N-oxyl-4-amino-4-carboxylic acid) spin label were synthesized by solid phase methodology. Ammonium hydroxide (pH 10, 50degreesC, 1 h) was the best means for reverting nitroxide protonation occurring during peptide cleavage. EPR spectra yielded rotational correlation times for internally labeled analogs that were nearly twice as large as those of N-terminally labeled analogs. Except for TOAC(1)-AngII and TOAC(0)-BK, which showed high intrinsic activities, other derivatives were inactive in smooth muscle preparations. These active paramagnetic analogs may be useful for conformational studies in solution and in the presence of model and biological membranes. (C) 2002 Elsevier B.V. All rights reserved.

Structural studies of NaPO3-WO3 glasses by solid state NMR and Raman spectroscopy

Vitreous samples were prepared in the (100 2 x) NaPO3-x WO3 (0 <= x <= 70) glass forming system using conventional melting-quenching methods. The structural evolution of the vitreous network was monitored as a function of composition by thermal analysis, Raman spectroscopy and high resolution one- and two-dimensional P-31 solid state NMR. Addition of WO3 to the NaPO3 glass melt leads to a pronounced increase in the glass transition temperatures, suggesting a significant increase in network connectivity. At the same time Raman spectra indicate that up to about 30 mol% WO3 the tungsten atoms are linked to some non-bridging oxygen atoms (W-O- or W=O bonded species), suggesting that the network modifier sodium oxide is shared to some extent between both network formers. W-O- W bond formation occurs only at WO3 contents exceeding 30 mol%. P-31 magic angle spinning (MAS)-NMR spectra, supported by two-dimensional J-resolved spectroscopy, allow a clear distinction between species having two, one, and zero P-O-P linkages. The possible formation of some anionic tungsten sites suggested from the Raman data implies an average increase in the degree of polymerization for the phosphorus species, which would result in diminished P-31/Na-23 interactions. This prediction is indeed confirmed by P-31{Na-23} and Na-23{P-31} rotational echo double resonance (REDOR) NMR results, which indicate that successive addition of WO3 to NaPO3 glass significantly diminishes the strength of phosphorus-sodium dipole-dipole couplings.

Infrared and far-infrared spectroscopy of (CH3OH)-C-13: TeraHertz laser lines and assignments

We use a (CO2)-C-13 laser as optical pumping source to search for new THz laser lines generated from (CH3OH)-C-13. Nineteen new THz laser lines (also identified as far-infrared, FIR) ranging from 42.3 mu m (7.1 THz) to 717.7 mu m (0.42 THz) are reported. They are characterized in wavelength, offset, relative polarization, relative intensity, and optimum working pressure. We have assigned eight laser lines to specific rotational energy levels in the excited state associated with the C-O stretching mode. (c) 2006 Elsevier B.V. All rights reserved.

GENERAL POTENTIALS DESCRIBED BY SO(2,1) DYNAMIC ALGEBRA IN PARABOLIC-COORDINATE SYSTEMS

We propose general three-dimensional potentials in rotational and cylindrical parabolic coordinates which are generated by direct products of the SO(2, 1) dynamical group. Then we construct their Green functions algebraically and find their spectra. Particular cases of these potentials which appear in the literature are also briefly discussed.

Pion to upsilon from kappa-deformed Poincare phenomenology

In the extreme rarity of meaningful results for four dimensional physics produced from the mathematically very well developed theory of quantum groups, we present a phenomenological fit to the rotational and radial excitations of mesons with very few parameters, From pion to upsilon, the heavy and light mesons are fitted with the same degree of precision.

Analytical attitude propagation with non-singular variables and gravity gradient torque for spin stabilized satellite

An analytical approach for the spin stabilized satellite attitude propagation is presented using the non-singular canonical variables to describe the rotational motion. Two sets of variables were introduced for Fukushima in 1994 by a canonical transformation and they are useful when the angle between z-satellite axis of a coordinate system fixed in artificial satellite and the rotational angular momentum vector is zero or when the angle between Z-equatorial axis and rotation angular momentum vector is zero. Analytical solutions for rotational motion equations and torque-free motion are discussed in terms of the elliptic functions and by the application of some simplification to get an approximated solution. These solutions are compared with a numerical solution and the results show a good agreement for many rotation periods. When the mean Hamiltonian associated with the gravity gradient torque is included, an analytical solution is obtained by the application of the successive approximations' method for the satellite in an elliptical orbit. These solutions show that the magnitude of the rotation angular moment is not affected by the gravity gradient torque but this torque causes linear and periodic variations in the angular variables, long and short periodic variations in Z-equatorial component of the rotation angular moment and short periodic variations in x-satellite component of the rotation angular moment. The goal of this analysis is to emphasize the geometrical and physical meaning of the non-singular variables and to validate the approximated analytical solution for the rotational motion without elliptic functions for a non-symmetrical satellite. The analysis can be applied for spin stabilized satellite and in this case the general solution and the approximated solution are coincidence. Then the results can be used in analysis of the space mission of the Brazilian Satellites. (C) 2007 COSPAR. Published by Elsevier Ltd. All rights reserved.

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.

Dielectric thermal analysis as a tool for quantitative-evaluation of the viscosity and the kinetics of epoxy resin cure

Dielectric thermal analysis has been proved as a valuable tool for monitoring the epoxy curing process and the related rheological properties in the fabrication of polymer-matrix composite materials. This technique also has the potential to be applied in the monitoring of magnet impregnation processes as well as in quality control. In this work we present the quantitative evaluation of the viscosity changing and the curing kinetics for a commercial Stycast epoxy resin system at different temperatures through the impedance analysis. The results showed correlation between the real component of the complex impedance and the isothermal reaction extent. Comparing the dielectric analysis result with the viscosity measured by rotational rheometer we observed a similar behavior reported for dynamic mechanic analysis. The results comparison have shown that the kinetics parameters obtained from DSC and DETA analysis showed different sensitivities related to the characteristics of curing stages. We concluded that the dielectric thermal analysis should be applied in quantitative evaluation of cure kinetics.

Estimativas do Consumo e da Taxa de Passagem do Capim-Elefante (Pennisetum purpureum Schum.) sob Pastejo de Vacas em Lactação

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Structural studies of NaPO3-MoO3 glasses by solid-state nuclear magnetic resonance and raman spectroscopy

Vitreous samples were prepared in the (100 - x)% NaPO3-x% MoO3 (0 <= x <= 70) glass-forming system by a modified melt method that allowed good optical quality samples to be obtained. The structural evolution of the vitreous network was monitored as a function of composition by differential scanning calorimetry (DSC), Fourier transform infrared spectroscopy (FT-IR), Raman scattering, and solid-state nuclear magnetic resonance (NMR) for P-31, Na-23, and Mo-95 nuclei. Addition of MoO3 to the NaPO3 glass melt leads to a pronounced increase in the glass transition temperatures up to x = 45, suggesting a significant increase in network connectivity. For this same composition range, vibrational spectra suggest that the Mo6+ ions are bonded to some nonbridging oxygen atoms (Mo-O- or Mo=O bonded species). Mo-O-Mo bond formation occurs only at MoO3 contents exceeding x = 45. P-31 magic-angle spinning (MAS) NMR spectra, supported by two-dimensional J-resolved spectroscopy, allow a clear distinction between species having two, one, and zero P-O-P linkages. These sites are denoted as Q(2Mo)((2)), Q(1Mo)((2)), and Q(0Mo)((2)), respectively. For x < 0.45, the populations of these sites can be described along the lines of a binary model, according to which each unit of MoO3 converts two Q(nMo)((2)) sites into two Q((n+1)Mo)((2)) sites (n = 0, 1). This structural model is consistent with the presence of tetrahedral Mo(=O)(2)(O-1/2)(2) environments. Indeed, Mo-95 NMR data suggest that the majority of the molybdenum species are four-coordinated. However, the presence of additional six-coordinate molybdenum in the MAS NMR spectra indicates that the structure of these glasses may be more complicated and may additionally involve sharing of network modifier oxide between the network formers phosphorus and molybdenum. This latter hypothesis is further supported by Na-23{P-31} rotational echo double resonance (REDOR) data, which clearly reveal that the magnetic dipole-dipole interactions between P-31 and Na-23 are increasingly diminished with increasing molybdenum content. The partial transfer of modifier from the phosphate to the molybdate network former implies a partial repolymerization of the phosphate species, resulting in the formation of Q(nMo)((3)) species and accounting for the observed increase in the glass transition temperature with increasing MoO3 content that is observed in the composition range 0 <= x <= 45. Glasses with MoO3 contents beyond x = 45 show decreased thermal and crystallization stability. Their structure is characterized by isolated phosphate species [most likely of the P(OMo)(4) type] and molybdenum oxide clusters with a large extent of Mo-O-Mo connectivity.

Stability analysis of the attitude of artificial satellites subject to gravity gradient torque

Using a canonical formulation, the stability of the rotational motion of artificial satellites is analyzed considering perturbations due to the gravity gradient torque. Here Andoyer's variables are used to describe the rotational motion. One of the approaches that allow the analysis of the stability of Hamiltonian systems needs the reduction of the Hamiltonian to a normal form. Firstly equilibrium points are found. Using generalized coordinates, the Hamiltonian is expanded in the neighborhood of the linearly stable equilibrium points. In a next step a canonical linear transformation is used to diagonalize the matrix associated to the linear part of the system. The quadratic part of the Hamiltonian is normalized. Based in a Lie-Hori algorithm a semi-analytic process for normalization is applied and the Hamiltonian is normalized up to the fourth order. Once the Hamiltonian is normalized up to order four, the analysis of stability of the equilibrium point is performed using the theorem of Kovalev and Savichenko. This semi-analytical approach was applied considering some data sets of hypothetical satellites. For the considered satellites it was observed few cases of stable motion. This work contributes for space missions where the maintenance of spacecraft attitude stability is required.

Stepping-motor-driven constant-shear-rate rotating viscometer

Despite the frequent use of stepping motors in robotics, automation, and a variety of precision instruments, they can hardly be found in rotational viscometers. This paper proposes the use of a stepping motor to drive a conventional constant-shear-rate laboratory rotational viscometer to avoid the use of velocity sensor and gearbox and, thus, simplify the instrument design. To investigate this driving technique, a commercial rotating viscometer has been adapted to be driven by a bipolar stepping motor, which is controlled via a personal computer. Special circuitry has been added to microstep the stepping motor at selectable step sizes and to condition the torque signal. Tests have been carried out using the prototype to produce flow curves for two standard Newtonian fluids (920 and 12 560 mPa (.) s, both at 25 degrees C). The flow curves have been obtained by employing several distinct microstep sizes within the shear rate range of 50-500 s(-1). The results indicate the feasibility of the proposed driving technique.

Morse basis expansion applied to diatomic molecules

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

Quenching of para-H-2 with an ultracold antihydrogen atom (H)over-bar(1s)

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Avaliação da carga parasitária de helmintos e protozoários em bezerros manejados em sistema orgânico

The objective of this study was to evaluate the influence of helminths eggs and protozoan oocysts elimination in calves' feces kept in organic system production. The study was conducted from January 2008 to December 2009. Coproparasitological examinations were carried biweekly of 18 calves in pastures rotating system on Empresa Brasileira de Pesquisa Agropecuária (EMBRAPA) Agrobiology. The egg counting average data had been submitted to the Kruskal Willis test and the larvae counting percentile values to the qui-square test. The average counting of eggs per gram of faces (EGF) varied of 250 the 800, characterizing low and moderate infection. Animals with inferior age the six months had presented superior results of EGF (P <.05) to the ones of between six and twelve months age. The biggest degrees of infection had been observed in the late spring and summer. In the fecal examinations was identified the following helminths: Haemonchus (73%), Trichostrongylus (24%) and Oesophagostomum (3%). The practical handling adopted in organic system production had been capable to keep the animals in moderate levels of infection, being indicated that it had helmintoses control in rotating system of pastures.