Estudio filogenético de los géneros de Lithinini de Sudamérica Austral (Lepidoptera, Geometridae): una nueva clasificación

Estudio filogenético de los géneros de Lithinini de Sudamérica Austral (Lepidoptera, Geometridae): una nueva clasificación. Se evalúa la taxonomía de la tribu Lithinini de Sudamérica Austral sobre la base de un análisis filogenético. Para el análisis se utilizó a Catophoenissa como grupo externo. Se usaron dos aproximaciones filogenéticas para evaluar las relaciones de parentesco: 1) criterio de parsimonia; e 2) inferencia bayesiana. El análisis de parsimonia se realizó a través del programa PAUP y el análisis bayesiano con cadenas de Markov y Monte Carlo a través del programa BayesPhylogenies. Los resultados generados a partir de la hipótesis filogenética permiten proponer una nueva taxonomía para los Lithinini de Sudamérica Austral. Los géneros validos son: Asestra Warren, Acauro Rindge, Calta Rindge, Euclidiodes Warren, Franciscoia Orfila y Schajovskoy, Incalvertia Bartlett-Calvert, Lacaria Orfila y Schajovskoy, Laneco Rindge, Maeandrogonaria Butler, Martindoelloia Orfila y Schajovskoy, Nucara Rindge, Odontothera Butler, Proteopharmacis Warren, Psilaspilates Butler, Rhinoligia Warren, Tanagridia Butler. Los principales cambios respecto de ordenamientos taxonómicos previos son: 1) Yalpa Rindge, es tratado como sinónimo junior de Odontothera. 2) El género Rhinoligia Warren es incorporado a los Lithinini; 3) Se reafirma que Siopla Rindge es sinónimo junior de Asestra, Yapoma Rindge y Duraglia Rindge son sinónimos de Euclidiodes Warren, mientras que Callemo Rindge y Guara Rindge son sinónimos de Tanagridia; 4) Los géneros Calta Rindge, Incalvertia Rindge, Odontothera Butler y Proteopharmacis Warren, sinonimizados por Pitkin, son redefinidos, revalidados e incorporados a la tribu Lithinini. Se describe una nueva especie para el género Franciscoia, F. ediliae Parra. Se incluye un catálogo con los géneros y especies de la tribu de la región, más las figuras de los adultos y genitalias de las principales especies.

Estrutura e propriedades de elipticinas

The ellipticines constitute a broad class of molecules with antitumor activity. In the present work we analyzed the structure and properties of a series of ellipticine derivatives in the gas phase and in solution using quantum mechanical and Monte Carlo methods. The results showed a good correlation between the solvation energies in water obtained with the continuum model and the Monte Carlo simulation. Molecular descriptors were considered in the development of QSAR models using the DNA association constant (log Kapp) as biological data. The results showed that the DNA binding is dominated by electronic parameters, with small contributions from the molecular volume and area.

Análise de imagem em química analítica: empregando metodologias simples e didáticas para entender e prevenir o escurecimento de tecidos vegetais

A simple and didactic experiment was developed for image monitoring of the browning of fruit tissues caused by the enzyme polyphenol oxidase. The procedure, easy and inexpensive, is a valuable tool to teach and demonstrate the redox reaction between the enzyme and the natural polyphenols. To obtain the browning percentage for apple, pear and banana, digital photographs were employed, and the images were analyzed by means of Monte Carlo methods and digital analysis programs. The effects of several experimental conditions were studied, such as pH, light, temperature and the presence of oxygen or anti-oxidants. It was observed that each fruit presented a different condition that better minimized the oxidation process. The absence of oxygen and the application of a bissulphite solution were sufficient to keep the quality of all fruits tested.

Pharmacokinetic/pharmacodynamic target attainment of intravenous β-lactam regimens against Gram-negative bacteria isolated in a Brazilian teaching hospital

ABSTRACTINTRODUCTION: Monte Carlo simulations have been used for selecting optimal antibiotic regimens for treatment of bacterial infections. The aim of this study was to assess the pharmacokinetic and pharmacodynamic target attainment of intravenous β-lactam regimens commonly used to treat bloodstream infections (BSIs) caused by Gram-negative rod-shaped organisms in a Brazilian teaching hospital.METHODS: In total, 5,000 patients were included in the Monte Carlo simulations of distinct antimicrobial regimens to estimate the likelihood of achieving free drug concentrations above the minimum inhibitory concentration (MIC; fT > MIC) for the requisite periods to clear distinct target organisms. Microbiological data were obtained from blood culture isolates harvested in our hospital from 2008 to 2010.RESULTS: In total, 614 bacterial isolates, including Escherichia coli, Enterobacterspp., Klebsiella pneumoniae, Acinetobacter baumannii, and Pseudomonas aeruginosa, were analyzed Piperacillin/tazobactam failed to achieve a cumulative fraction of response (CFR) > 90% for any of the isolates. While standard dosing (short infusion) of β-lactams achieved target attainment for BSIs caused by E. coliand Enterobacterspp., pharmacodynamic target attainment against K. pneumoniaeisolates was only achieved with ceftazidime and meropenem (prolonged infusion). Lastly, only prolonged infusion of high-dose meropenem approached an ideal CFR against P. aeruginosa; however, no antimicrobial regimen achieved an ideal CFR against A. baumannii.CONCLUSIONS:These data reinforce the use of prolonged infusions of high-dose β-lactam antimicrobials as a reasonable strategy for the treatment of BSIs caused by multidrug resistant Gram-negative bacteria in Brazil.

Modelagem de ocorrência e densidade de juvenis de Callinectes sapidus (Decapoda, Portunidae) em dois estuários do Rio Grande do Sul, com dados zero-inflacionados

Dados de contagem de juvenis de siri-azul (Callinectes sapidus Rathbun, 1896) coletados em dois estuários do Rio Grande do Sul são objeto do presente estudo. Por se encontrarem zero-inflacionados, esses dados motivaram a formulação de modelos hierárquicos, que quantificam o efeito das covariáveis categóricas mês e local sobre a probabilidade de ocorrência e densidade dessas populações, levando em conta a detecção imperfeita. Foram também desenvolvidos modelos não-hierárquicos para comparação. Uma abordagem Bayesiana foi adotada para a estimação dos parâmetros dos modelos por simulação Monte Carlo com Cadeias de Markov (MCMC). A comparação entre modelos foi feita com o Critério de Informação da Deviância (DIC). Os modelos hierárquicos apresentaram ajustes melhores que os modelos convencionais, mitigaram o problema do excesso de zeros e permitiram analisar simultaneamente as probabilidades de ocorrência e a densidade de juvenis de siri-azul. No estuário da Lagoa dos Patos, a probabilidade de ocorrência de juvenis na Classe 2 aumenta com a distância da desembocadura, enquanto em Tramandaí os pontos intermediários apresentam as maiores probabilidades. Em ambos os estuários a ocorrência é mais provável nos meses de verão e de inverno. A densidade de juvenis da Classe 2 apresenta marcada variação em relação aos meses do ano sendo, em geral, maior no estuário de Tramandaí.

Análise bayesiana univariada e bivariada para a conversão alimentar de suínos da raça Piau

O objetivo deste trabalho foi apresentar modelagens alternativas, uni e bivariadas, para avaliação da conversão alimentar (CA) de suínos da raça Piau, com uso de inferência bayesiana. Os efeitos de sexo e genótipo sobre a CA dos animais foram avaliados por meio de procedimentos de simulação de Monte Carlo via cadeias de Markov (MCMC) e de integração aproximada aninhada de Laplace (INLA). O modelo univariado foi avaliado com diferentes distribuições para o erro - normal (gaussiana), t de Student, gama, log-normal e skew-normal -, enquanto, para o modelo bivariado, considerou-se o erro normal. A distribuição skew-normal foi o modelo mais parcimonioso para inferir sobre a resposta direta (univariada) da CA aos efeitos de sexo e genótipo, os quais não foram significativos. O modelo bivariado foi capaz de identificar diferenças significativas no ganho de peso e no consumo de ração em níveis de significância não detectados pelo modelo univariado. Além disso, ele também foi capaz de detectar diferenças entre sexos, quando agrupados por genótipos NN (machos, 2,73±0,04; fêmeas, 2,68±0,04) e Nn (machos, 2,70±0,07; fêmeas, 2,64±0,07), e revelou maior acurácia e precisão nas inferências nutricionais. Em ambas as abordagens, o método bayesiano mostra-se flexível e eficiente para a avaliação do desempenho nutricional dos animais.

Balloon-based adjuvant radiotherapy in breast cancer: comparison between 99mTc and HDR 192Ir

Abstract Objective: To perform a comparative dosimetric analysis, based on computer simulations, of temporary balloon implants with 99mTc and balloon brachytherapy with high-dose-rate (HDR) 192Ir, as boosts to radiotherapy. We hypothesized that the two techniques would produce equivalent doses under pre-established conditions of activity and exposure time. Materials and Methods: Simulations of implants with 99mTc-filled and HDR 192Ir-filled balloons were performed with the Siscodes/MCNP5, modeling in voxels a magnetic resonance imaging set related to a young female. Spatial dose rate distributions were determined. In the dosimetric analysis of the protocols, the exposure time and the level of activity required were specified. Results: The 99mTc balloon presented a weighted dose rate in the tumor bed of 0.428 cGy.h-1.mCi-1 and 0.190 cGyh-1.mCi-1 at the balloon surface and at 8-10 mm from the surface, respectively, compared with 0.499 and 0.150 cGyh-1.mCi-1, respectively, for the HDR 192Ir balloon. An exposure time of 24 hours was required for the 99mTc balloon to produce a boost of 10.14 Gy with 1.0 Ci, whereas only 24 minutes with 10.0 Ci segments were required for the HDR 192Ir balloon to produce a boost of 5.14 Gy at the same reference point, or 10.28 Gy in two 24-minutes fractions. Conclusion: Temporary 99mTc balloon implantation is an attractive option for adjuvant radiotherapy in breast cancer, because of its availability, economic viability, and similar dosimetry in comparison with the use of HDR 192Ir balloon implantation, which is the current standard in clinical practice.

PRACTICAL STOCHASTIC MODEL FOR CHEMICAL KINETICS

The Practical Stochastic Model is a simple and robust method to describe coupled chemical reactions. The connection between this stochastic method and a deterministic method was initially established to understand how the parameters and variables that describe the concentration in both methods were related. It was necessary to define two main concepts to make this connection: the filling of compartments or dilutions and the rate of reaction enhancement. The parameters, variables, and the time of the stochastic methods were scaled with the size of the compartment and were compared with a deterministic method. The deterministic approach was employed as an initial reference to achieve a consistent stochastic result. Finally, an independent robust stochastic method was obtained. This method could be compared with the Stochastic Simulation Algorithm developed by Gillespie, 1977. The Practical Stochastic Model produced absolute values that were essential to describe non-linear chemical reactions with a simple structure, and allowed for a correct description of the chemical kinetics.

Estimativa da relação hipsométrica em clones de Eucalyptus sp. com o modelo de curtis ajustado por métodos bayesianos empíricos

Neste trabalho foi considerado o modelo de Curtis para a relação hipsométrica em clones de Eucalyptus sp. com os parâmetros sujeitos a restrições. Para fazer a inferência dos parâmetros do modelo com restrições, utilizou-se uma abordagem bayesiana com densidade a priori construída empiricamente. As estimativas bayesianas são calculadas com a técnica de simulação de Monte Carlo em Cadeia de Markov (MCMC). O método proposto foi aplicado a diferentes conjuntos de dados reais, dos quais foram selecionados cinco para exemplificar os resultados. Estes foram comparados com os resultados obtidos pelo método de mínimos quadrados, destacando-se a superioridade da abordagem bayesiana proposta.

Reconstructive dosimetry for cutaneous radiation syndrome

According to the International Atomic Energy Agency (IAEA), a relatively significant number of radiological accidents have occurred in recent years mainly because of the practices referred to as potentially high-risk activities, such as radiotherapy, large irradiators and industrial radiography, especially in gammagraphy assays. In some instances, severe injuries have occurred in exposed persons due to high radiation doses. In industrial radiography, 80 cases involving a total of 120 radiation workers, 110 members of the public including 12 deaths have been recorded up to 2014. Radiological accidents in industrial practices in Brazil have mainly resulted in development of cutaneous radiation syndrome (CRS) in hands and fingers. Brazilian data include 5 serious cases related to industrial gammagraphy, affecting 7 radiation workers and 19 members of the public; however, none of them were fatal. Some methods of reconstructive dosimetry have been used to estimate the radiation dose to assist in prescribing medical treatment. The type and development of cutaneous manifestations in the exposed areas of a person is the first achievable gross dose estimation. This review article presents the state-of-the-art reconstructive dosimetry methods enabling estimation of local radiation doses and provides guidelines for medical handling of the exposed individuals. The review also presents the Chilean and Brazilian radiological accident cases to highlight the importance of reconstructive dosimetry.