Análise teórica da interação de CO, CO2 e NH3 com ZnO

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

Crescimento relativo do camarão canela Macrobrachium amazonicum (Heller) (Crustacea, Decapoda, Palaemonidae) em viveiros

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

Osteologia craniana de Platalea ajaja (Linnaeus) (Aves, Ciconiiformes), comparada com outras espécies de Threskiornithidae

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Determinação da idade fetal por meio da técnica ultra-sonográfica de fetometria e de morfologia fetal em cabras

Utilizaram-se 13 cabras gestantes da raça Saanen, para estudo das características da gestação a partir do 60º dia, segundo as técnicas de fetometria e avaliação morfológica fetal, utilizando-se ultra-sonografia em modo-B. Analisaram-se: diâmetro orbital (DO), diâmetro interorbital (DIO), diâmetro biorbital (DBO), diâmetro biparietal (DBP), comprimento do fêmur (CF), comprimento da tíbia (CT), comprimento do rádio (CR), diâmetro do tórax (DT), diâmetro abdominal transversal (DAT), diâmetro abdominal anteroposterior (DAP), diâmetro occípito-frontal (DOF), diâmetro transversal renal (RIMT), diâmetro longitudinal renal (RIML), comprimento da escápula (ESC), comprimento do metacarpo (MEC), medida da pelve (COX) e comprimento do úmero (CU). As médias dos valores achados foram correlacionadas com a idade fetal. As equações de regressão inversa foram criadas para cada parâmetro, sendo que DBP (R²=0,93), CF (R²=0,95), CU (R²=0,96), do (R²= 0,84) e DAT (R²= 0,91) foram as variáveis de melhor correlação estatística, cuja equação pode ser representada pela fórmula: idade fetal = 34,5 + 4,8DBP + 9,9 CF - 7,5 CU - 2,3 do + 6,1 DAT.

Cirurgia das fraturas do seio frontal: estudo epidemiológico e análise de técnicas

O trauma do seio frontal não é raro, correspondendo a 8% das fraturas faciais. Pode afetar a lâmina anterior e/ou posterior, com ou sem envolvimento do ducto nasofrontal. Tem alto potencial para complicações e seu manejo ainda é controvertido em algumas situações. OBJETIVO: Apresentar a epidemiologia, o diagnóstico e tratamento clínico e cirúrgico de 24 pacientes com fratura do seio frontal. MATERIAL E MÉTODOS: Estudo retrospectivo, não randomizado, de 24 pacientes com fratura de seio frontal operados no Hospital das Clínicas da Faculdade de Medicina de Botucatu, São Paulo, Brasil. RESULTADOS: Dos 24 pacientes, 16 tinham fraturas da lâmina externa e 8, da lâmina interna e externa. em 2 casos havia lesão do ducto nasofrontal. Vinte (83,4%) pacientes tiveram fraturas faciais associadas e em 13 (54,2%) foram observadas complicações intracranianas. A incisão em asa de borboleta, abaixo da sobrancelha, foi empregada na maioria dos casos cirúrgicos com bom resultado estético. Fixação dos fragmentos ósseos com diferentes materiais (fio de aço, mononylon, miniplacas de titânio) e, se necessário, reconstrução da tábua anterior com material aloplástico ou osso parietal. CONCLUSÃO: A causa principal das fraturas do seio frontal é acidente com veículos. O tratamento depende de sua complexidade, pois comumente há lesões cranioencefálicas associadas. As técnicas cirúrgicas utilizadas são as incisões, retalho bicoronal ou na sobrancelha, infra-orbital (em asa de borboleta), associadas à cirurgia endoscópica em casos de infecção fístula liquórica e complicações orbitárias.

Evaluation of polymethylmethacrylate as ocular implant in rabbits subjected to evisceration

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

O papel dos modificadores de rede na produção da fotoluminescência no CaWO4

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

Febrifugine derivative antimalarial activity: quantum mechanical predictors

O desenvolvimento de linhagens resistentes de Plasmodium falciparum tem encorajado a busca por novas drogas antimalariais. A febrifugina é uma substância natural com alta atividade contra o P. falciparum que apresenta propriedade emética e toxicidade para o fígado tal que não permitem o seu uso clínico. A busca por análogos que possam ter uma performance clínica melhor é um tema de pesquisa atual. Nosso objetivo é investigar a estrutura eletrônica teórica de uma família de derivados da febrifugina empregando cálculos semi-empíricos de orbitais moleculares, procurando por índices eletrônicos que possam ajudar a modelar novos derivados mais eficientes. Os resultados teóricos mostram que para as moléculas mais seletivas existe um agrupamento dos valores de determinados índices em intervalos bem definidos. O modelo proposto para se obter alta seletividade foi testado com sucesso.

Attitude stabilization of a rigid spacecraft in the geomagnetic field

An analytical method is proposed to study the attitude stability of a triaxial spacecraft moving in a circular Keplerian orbit in the geomagnetic field. The method is developed based on the electrodynamics effect of the influence of the Lorentz force acting on the charged spacecraft's surface. We assume that the rigid spacecraft is equipped with an electrostatic charged protective shield, having an intrinsic magnetic moment. The main elements of this shield are an electrostatic charged cylindrical screen surrounding the protected volume of the spacecraft. The rotational motion of the spacecraft about its centre of mass due to torques from gravitational force, as well Lorentz and magnetic forces is investigated. The equilibrium positions of the spacecraft in the orbital coordinate system are obtained. The necessary and sufficient conditions for the stability of the spacecraft's equilibrium positions are constructed using Lyapunov's direct method. The numerical results have shown that the Lorentz force has a significant influence on the stability of the equilibrium positions, which can affect the attitude stabilization of the spacecraft. (C) 2007 COSPAR. Published by Elsevier Ltd. All rights reserved.

Alternative paths for insertion of probes into high inclination lunar orbits

The dynamics of the restricted three-body Earth-Moon-particle problem predicts the existence of direct periodic orbits around the Lagrangian equilibrium point L1. From these orbits, we derive a set of trajectories that form links between the Earth and the Moon and are capable of performing transfers between terrestrial and lunar orbits, in addition to defining an escape route from the Earth-Moon system. When we consider a more complex and realistic dynamical system - the four-body Sun-Earth-Moon-particle (probe) problem - the trajectories have an expressive gain of inclination when they penetrate in the lunar influence sphere, thus allowing the insertion of probes into low-altitude lunar orbits with high inclinations, including polar orbits. In this study, we present these links and investigate some possibilities for performing an Earth-Moon transfer based on these trajectories. (C) 2007 COSPAR. Published by Elsevier Ltd. All rights reserved.

Numerical study about natural escape and capture routes by the Moon via Lagrangian points L1 and L2

The lunar sphere of influence, whose radius is some 66,300 km, has regions of stable orbits around the Moon and also regions that contain trajectories which, after spending some time around the Moon, escape and are later recaptured by lunar gravity. Both the escape and the capture occur along the Lagrangian equilibrium points L1 and L2. In this study, we mapped out the region of lunar influence considering the restricted three-body Earth-Moon-particle problem and the four-body Sun-Earth-Moon-particle (probe) problem. We identified the stable trajectories, and the escape and capture trajectories through the L I and L2 in plots of the eccentricity versus the semi-major axis as a function of the time that the energy of the osculating lunar trajectory in the two-body Moon-particle problem remains negative. We also investigated the properties of these routes, giving special attention to the fact that they supply a natural mechanism for performing low-energy transfers between the Earth and the Moon, and can thus be useful on a great number of future missions. (C) 2007 Published by Elsevier Ltd on behalf of COSPAR.

GCHF basis sets and their application in the electronic structure study of PrMnO3

The approach called generator coordinate Hartree-Fock (GCHF) method is used in the selection of Gaussian basis set [25s18p for O ((3)p), 31s21p14d for Mn (S-6), and 33s22p16d9f for Pr ((4)J)] for atoms. The role of the weight functions in the assessment of the numerical integration range of the GCHF equations is shown. These basis sets are contracted to (25s18p/9s5p), (31s21p14d/9s6p4d), and (33s22pl6d9f118sl2p5d3f) by segmented contraction scheme of Dunning and they are utilized in calculations of Restricted-Open-HF (ROHF) Total and Orbital energies of the (MnO+1)-Mn-3 and (PrO+1)-Pr-1 fragments, to evaluate their quality in molecular studies. The addition of one d polarization function in the contracted (9s5p) basis set for O(P-3) atom and their application with the contracted (9s6p4d), (18s21p5d3f) basis sets for Mn (S-6) and Pr-Pr ((4)j) atoms lead to the electronic structure study of PrMnO3. The dipole moment, the total energy, and total atomic charges properties were calculated and were carried out at ROHF level with the [PrMnO3](2) fragment. The calculated values show that PrMnO3 does not present piezoelectric properties. (C) 2004 Elsevier B.V. All rights reserved.

Theoretical and experimental study of the infrared spectrum of isonicotinamide

The IR-spectrum of the isonicotinamide molecule (C(2)H(2)NC(3)H(2)CONH(2)) is studied by means of theoretical and experimental methods. For an appropriate representation of the molecular environment, Gaussian basis sets to the atoms of these molecule are built and then contracted (5s and 6s5p). For evaluation of the quality of contracted basis sets in molecular calculations, we have accomplished calculations of the total and the orbital (HOMO and HOMO-1) energies in the HF-Roothaan method for the molecule studied. The results obtained with the contracted basis sets [5s/6s5p] are compared to values obtained with our (21s/22s14p) basis sets and with those obtained with the D95, 6-31G, and 6-311G basis sets from literature. It was added one d polarization function in the [6s5p] contracted basis set for C ((3)P) atom, which was used in combination with the basis sets for H ((2)S), N ((4)S). and O((3)P) atoms to calculate the infrared spectrum of isonicotinamide. The calculations were performed at B3LYP level and were compared to corresponding experimental values also obtained in our laboratory. The theoretical results in comparison with the corresponding experimental values indicate a very good interpretation of the IR-spectrum and that the strategy of an appropriate representation of the molecular environment through the basis sets is an effective alternative to investigate vibrational theoretical properties of the nicotinamide molecule. (c) 2006 Published by Elsevier B.V.

Ab initio study of high tridymite by the formalism generator coordinate Hartree-Fock

The Generator Coordinate Hartree-Fock (GCHF) Method is applied to generate extended 14s 8p and 17s 11p Gaussian basis sets for the atoms O and Si, respectively. The role of the weight functions in the assessment of the numerical integration range of the GCHF is shown. The Gaussian basis sets are contracted to [6s4p] O atom and [8s5p] Si atom by the Dunning's segmented contraction scheme. To evaluate the quality of our contracted [6s4p] and [8s5p] bases in molecular calculations we accomplish calculations of total and orbital energies in the Hartree-Fock-Roothaan method for O-2 and SiO molecules. We compare the results obtained with the our (14s 8p) and (17s 11p) bases sets with the of 6-311G basis and with values from the literature. The addition of one d polarization function in the silicon basis and its utilization with the basis for oxygen leads to the calculation of electronic properties and IR Spectrum of high tridymite in space group D-3d. (C) 1999 Elsevier B.V. B.V. All rights reserved.

Production of fructooligosaccharides by the mycelia of Aspergillus japonicus immobilized in calcium alginate

This work describes fructose oligosaccharide (FOS) production by the immobilized mycelia (IM) of a strain of Aspergillus japonicus, isolated from soil. The microorganism was inoculated into 50 mi of medium composed of sugar cane molasses (5.0% of total sugars); yeast powder; 2.0%; K2HPO4, 0.5%; NaNO3, 0.2%; MgSO4. 7H(2)O, 0.05%; KCl, 0.05%, final pH 5.0, and the flasks were agitated in an orbital shaker at 200 rpm for 60 h, at 30 degrees C. The beta-fructofuranosidase activity (Uf), transfructosylating activity (Ut), hydrolyzing activity (Uh), and FOS production were analyzed by high performance liquid chromatography. FOS production was performed in a batch process in a 2-l jar fermenter by IM in calcium alginate beads. The optimum pH and temperature were 5.0-5.6 and 55 degrees C, respectively No loss of activity was observed when the mycelium was maintaned at 60 degrees C for 60 min. Maximum production was obtained using 5.75% (cellular weight/volume) of mycelia (122.4 Ut g(-1)) and 65% sucrose solution (w:v) for 4 h of reaction when the final product reached 61.28% of fetal FOS containing GF(2) (30.56%), GF(3) (26.45%), GF(4) (4.27%), sucrose (9.6%) and glucose (29.10%). In the assay conditions, 23 batches were performed without loss of activity of the IM, showing that the microorganism and the process utilized have potential for industrial applications. (C) 1998 Elsevier B.V. Ltd. All rights reserved.