Ultra-sonografia virtual: reprodutibilidade intra-observador

OBJETIVO: Analisar a reprodutibilidade intra-observador da ultra-sonografia tridimensional (US3D) real com a US virtual, nas modalidades multiplanar e volumétrica. MATERIAIS E MÉTODOS: Foram examinados, prospectivamente, 132 blocos provenientes de 44 avaliações de 26 conceptos. Dezoito conceptos tinham idade gestacional ecográfica de oito semanas a oito semanas e seis dias, e 26 tinham de dez semanas a dez semanas e seis dias. Realizou-se a US3D, analisando-se: comprimento cabeça-nádega, saco gestacional, saco amniótico, translucência nucal, conduto onfalomesentérico, vesícula vitelínica, membros superiores, membros inferiores, distinção cabeça-tórax, perfil da face, coronal da face, implantação das orelhas, perfil da coluna, coronal da coluna, parede abdominal fechada. Foram obtidos três blocos por concepto para posterior realização da US virtual. A análise estatística foi feita utilizando-se o teste t de Student, o teste de McNemar e o kappa. RESULTADOS: No grupo I, a avaliação ultra-sonográfica 3D real multiplanar versus 3D virtual multiplanar, na análise das variáveis contínuas, evidenciou diferença significativa para todas. Na avaliação das variáveis categóricas, evidenciou-se que todas não apresentaram diferença significativa. No grupo II, a avaliação ultra-sonográfica 3D real volumétrica versus 3D virtual volumétrica demonstrou diferença significativa apenas para a variável implantação de orelhas. Os resultados das análises das variáveis categóricas evidenciaram concordância para a maioria das variáveis analisadas em ambos os grupos. CONCLUSÃO: Há reprodutibilidade intra-observador da US3D com a modalidade virtual, multiplanar e volumétrica.

Estudos de QSAR 3D para um conjunto de inibidores de butirilcolinesterase humana

Alzheimer's disease (AD) is considered the main cause of cognitive decline in adults. The available therapies for AD treatment seek to maintain the activity of cholinergic system through the inhibition of the enzyme acetylcholinesterase. However, butyrylcholinesterase (BuChE) can be considered an alternative target for AD treatment. Aiming at developing new BuChE inhibitors, robust QSAR 3D models with high predictive power were developed. The best model presents a good fit (r²=0.82, q²=0.76, with two PCs) and high predictive power (r²predict=0.88). Analysis of regression vector shows that steric properties have considerable importance to the inhibition of the BuChE.

QSAR-3D/CoMFA em compostos imídicos com atividade antinociceptiva

Imide compounds have shown biological activity. These compounds can be easily synthesized with good yields. The objective of this paper was the rational planning of imides and sulfonamides with antinociceptive activity using the 3D-QSAR/CoMFA approach. The studies were performed using two data sets. The first set consisted of 39 cyclic imides while the second set consisted of 39 imides and 15 sulfonamides. The 3D- QSAR/CoMFA models have shown that the steric effect is important for the antinociceptive activity of imide and sulphonamide compounds. Ten new compounds with improved potential antinociceptive activity have been proposed by de novo design leapfrog simulations.

Application of a non isotropic turbulence model to stable atmospheric flows and dispersion over 3D topography

A non isotropic turbulence model is extended and applied to three dimensional stably stratified flows and dispersion calculations. The model is derived from the algebraic stress model (including wall proximity effects), but it retains the simplicity of the "eddy viscosity" concept of first order models. The "modified k-epsilon" is implemented in a three dimensional numerical code. Once the flow is resolved, the predicted velocity and turbulence fields are interpolated into a second grid and used to solve the concentration equation. To evaluate the model, various steady state numerical solutions are compared with small scale dispersion experiments which were conducted at the wind tunnel of Mitsubishi Heavy Industries, in Japan. Stably stratified flows and plume dispersion over three distinct idealized complex topographies (flat and hilly terrain) are studied. Vertical profiles of velocity and pollutant concentration are shown and discussed. Also, comparisons are made against the results obtained with the standard k-epsilon model.