Estudos de relações estrutura-atividade quantitativas (QSAR) de bis-benzamidinas com atividade antifúngica

This paper describes 2D-QSAR and 3D-QSAR studies against Candida albicans and Cryptococcus neofarmans for a set of 20 bisbenzamidines. In the studies of 2D-QSAR with C. albicans it was obtained a correlation between log MIC-1 and lipolo component-Z (r² = 0.68; Q² = 0.51). In the case of C. neofarmans a correlation between log MIC-1 and lipolo component-Z and of Balaban index (r² = 0.85; Q² = 0.6) was obtained. 3D-QSAR studies using CoMFA showed that the steric fields contributed more to the predicted activities for Candida albicans (94.9%) and Cryptococcus neofarmans (97.9%).

Estudos fotoluminescentes em compostos de íons terras raras coordenados por um derivado carbazólico

[RE(czb)3(H2O)2] complexes (where RE = Eu3+, Tb3+, Gd3+; and czb = 4-(9H-carbazol-9-yl)benzoato) have been synthesized and characterized. The Gd3+ complex was used to determine the triplet state energy of the czb ligand. Photoluminescence measurements of the complexes have been carried out under UV excitation. The Tb3+ complex exhibited a strong green luminescence indicating an efficient antenna effect, whereas the Eu3+ complex showed low red luminescence and the Gd3+ complex a blue-green luminescence from the ligand. The luminescence lifetimes and quantum yields have also been measured for the evaluation of the spectroscopic behavior of the complexes.

Flotação da mistura argila-quartzo com surfactantes e estudos de pilarização

Clay is often employed as a catalyst, but quartz impurities can decrease the catalytic efficiency. Fine particles of clay can be purified by flotation. We examined the cationic surfactant hexadecyltrimethylammonium bromide (HTAB), the anionic sodium dodecyl sulfate (SDS) and the non-ionic TRITON X-100 for separating the quartz impurities from clay. Using X-ray diffraction, the separation was monitored for changes in the peaks corresponding to clay and quartz. Cationic surfactant HTAB was most effective in separating the quartz-clay mixture and the selectivity can be explained by internal adsorption of the surfactant onto the clay and external adsorption onto the quartz.

Estudos de biodegradação de óleo diesel por consórcio microbiano coletado em Porto Velho - RO, amazônia

The goal of this research was to evaluate the biodegradation of diesel by a microbial consortium collected in a region close to distributors of fuel. The experiments were monitored by SPME-GC-FID and SPME-GC-MS. The consortium showed a high potential for production of biosurfactants, presenting an emulsification index of 53%. The consortium degraded completely n-alkanes, while dimethylnaphtalene, hepthyl-cyclohexane and 2,6,10-trimethyl-undecane were partially degraded and pristane was not degraded. From this consortium five strains were isolated and identified as Acinetobacter baumannii. Based on this initial investigation this consortium appears to be effective for bioremediation in Porto Velho - RO region.

Remoção dos corantes azul brilhante, amarelo crepúsculo e amarelo tartrazina de soluções aquosas utilizando carvão ativado, terra ativada, terra diatomácea, quitina e quitosana: estudos de equilíbrio e termodinâmica

This work compared activated carbon, activated earth, diatomaceous earth, chitin and chitosan to removal acid blue 9, food yellow 3 and FD&C yellow nº 5 dyes from aqueous solutions with different pH values (2-10). In the best process condition for each dye, equilibrium studies were carried out at different temperatures (from 298 to 328 K) and Langmuir, Freundlich, Redlich-Peterson, Temkin and Dubinin-Radushkevich models were fitted with experimental data. In addition, entropy change, Gibbs free energy change and enthalpy change were obtained in order to verify the thermodynamic adsorption behavior.

Desenvolvimento de microcélula eletroquímica para estudos de microrregiões

The construction and optimization of a device that can be applied to electrochemical studies in flat micro regions are described. This was developed as an attempt to study small regions of metallic samples, whose properties may differ completely from its macroscopic behavior and for studies in highly resistive medium. Some results were obtained for individual grains of polycrystalline samples, welded regions, pure copper, platinum, glassy carbon, single crystals of Cu-Zn-Al alloy, and steel in biodiesel without electrolyte intentionally added. The device showed to be useful for the proposed purpose, allowing to be automated and has potential possibilities of other applications.

Estudos de QSAR 2D baseados em descritores topológicos e fragmentos moleculares para uma série de derivados azólicos ativos contra Candida albicans

Azole derivatives are the main therapeutical resource against Candida albicans infection in immunocompromised patients. Nevertheless, the widespread use of azoles has led to reduced effectiveness and selection of resistant strains. In order to guide the development of novel antifungal drugs, 2D-QSAR models based on topological descriptors or molecular fragments were developed for a dataset of 74 molecules. The optimal fragment-based model (r² = 0.88, q² = 0.73 and r²pred = 0.62 with 6PCs) and descriptor-based model (r² = 0.82, q² = 0.79 and r²pred = 0.70 with 2 PCs), when analysed synergically, suggested that the triazolone ring and lipophilic properties are both important to antifungal activity.

Preparação, caracterização e estudos de biodegradação de blendas à base de PDLLA e PVP

Poly(D,L-lactide), PDLLA, is a polymer with potential applications in medical, environmental, and pharmaceutical areas. Despite its versatility, the hydrophobicity limits its applications. To overcome this problem, one strategy is the preparation of blends with hydrophilic polymers such as poly(vinylpyrrolidone), PVP. In this study, we report the preparation and characterization of blends based on PDLLA and PVP and the biodegradation studies by the Sturm test. It was observed that the components of the blends PDLLA/PVP are thermodynamically immiscible, however the biodegradation is faster than that of pure PDLLA.

Estudos quimiométricos da pheo formulada em pluronics®: ação fotodinâmica Sobre Artemia salina

The self-aggregation of pheophytin, a possible photosensitizer for Photodynamic Therapy, is solved by formulation in polymeric surfactant as P-123. The photosensitizer incorporation was found to be time dependent, exhibiting two steps: a partition at the micellar interface followed by an incorporation into the micelle core. The photodynamic efficiency of the formulation was tested by the bioassays against Artemia salina. In order to evaluate how the experimental parameters: pheophytin concentration, P-123 percentage and illumination time influenced the death of artemia, the factorial design 2³ was chosen. The illumination time was found to be the main factor contributing to the mortality of artemia.

Tratamento de dados censurados em estudos ambientais

Due to the inherent limitations of the analytical methods of measurement, environmental exposure data often present observations described as below a certain detection limit, also called left-censored data. Censored data directly interferes in almost all types of statistical analyzes, including descriptive parameters, hypothesis testing, confidence intervals, correlations and regressions. In this work, we investigated the performance of the main classes of methods from major publications available in the literature, considering their advantages and limitations. Some criteria for selecting the best method of dealing with censored data are presented.

Obtenção e caracterização de matriz apropriada para sistemas de liberação prolongada: estudos de liberação dos herbicidas atrazina e diuron

This study aimed to produce and characterize a novel material from fish scales and chitosan for use as a medium for the extended release of herbicides. The mechanism of release for the herbicides atrazine and diuron was influenced by diffusion and swelling according to the power law kinetic model. The atrazine release time was seven days, while that of diuron was four days. The results of this study will contribute to the development of environmental matrices for herbicide release systems.

Delineamentos experimentais eficientes para estudos de cinética química

In this paper we show how to obtain efficient designs of experiments for fitting Michaelis-Menten and Hill equations useful in chemical studies. The search of exact D-optimal designs by using local and pseudo-Bayesian approaches is considered. Optimal designs were compared to those commonly used in practice using an efficiency measure and theoretical standard errors of the kinetic parameter estimates. In conclusion, the D-optimal designs based on the Hill equation proved efficient for estimating the parameters of both models. Furthermore, these are promising with respect to practical issues, allowing efficient estimation as well as goodness-of-fit tests and comparisons between some kinetic models.

Autoagregação da 5,10,15,20-tetrakis(4-metoxifenil)porfirina (tmpp): estudos espectroscópicos e análises multivariadas

In this work, the spectroscopic properties of 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin (TMPP) in solvents of different polarities and water/ethanol mixtures were studied by electronic absorption spectroscopy and resonance light scattering associated with statistical analysis. The molar absorption coefficient and emission maximum of TMPP were dependent on solvent polarity. In the water/ethanol mixture, TMPP remained monomeric up to 25% of water, when it reaches its critical aggregation percentage. Oblique head-to-tail aggregate was found at intermediate water content (35 - 55%), while formation of a J-type aggregate was observed at higher water content (> 60%).

Viabilidade de Sclerotinia sclerotiorum após a solarização do solo na presença de cobertura morta

O efeito de diferentes temperaturas no solo e de diversas palhas sobre o solo na viabilidade dos escleródios de Sclerotinia sclerotiorum foi estudado em estufa. Em três ensaios de campo, estudou-se a solarização do solo associada à presença de palha de milho (Zea mays) sobre o solo na viabilidade de escleródios, durante três meses. Ensaios de campo foram realizados em Piracicaba e em Brasília. Escleródios foram produzidos em meio cenoura+fubá, e incorporados ao solo (ensaios em estufa), ou acondicionados em invólucros, e enterrados no solo a 5, 10 e 30 cm (ensaios no campo). Os tratamentos de solo no campo foram: solarizado (S), não solarizado (NS) e solarizado com adição de palha de milho (PS). Foram feitas avaliações a cada 30 dias, em meio NEON, observando a viabilidade e a presença de contaminantes nos escleródios. O aquecimento do solo em estufa a 50 e 60 ºC com diversas palhas inativou os escleródios, que tiveram maior incidência de contaminantes. No campo, o efeito da solarização do solo foi significativo, inviabilizando os escleródios enterrados a diferentes profundidades: em S após 90 dias, nas três profundidades, e em PS, após 60 dias, a 5 e 10 cm de profundidade. A incidência de escleródios contaminados em solos solarizados foi maior em S, seguido de PS. A maior variabilidade de contaminantes, porém, foi observada em PS. As temperaturas do solo em PS foram maiores quando comparadas aos outros tratamentos na mesma profundidade. Este fator proporcionou a redução do tempo da inativação dos escleródios de 90 dias em S, para 60 dias em PS.

Sobrevivência e viabilidade de Xanthomonas axonopodis pv. phaseoli em sementes de feijão armazenadas sob condições controladas

O estabelecimento de bancos de sementes para conservação ex situ de germoplasma vegetal é largamente utilizado, mas a contaminação das mesmas por fitopatógenos pode comprometer sua integridade. Este trabalho teve por objetivo monitorar a sobrevivência de Xanthomonas axonopodis pv. phaseoli, em um lote de sementes de feijão (Phaseolus vulgaris) cv. Roxão)submetido a três condições de temperatura, durante 60 meses de armazenamento: -18 e 5 ºC, condições preconizadas para a conservação de material genético vegetal a longo e médio prazo, respectivamente, e à temperatura ambiente (20-30 ºC). A sobrevivência da bactéria foi avaliada pela percentagem de sementes contaminadas e a viabilidade pela manutenção da patogenicidade dos isolados. A população de X. axonopodis pv. phaseoli nas sementes foi quantificada ao final de cinco anos de armazenamento. Os resultados mostraram que a percentagem de sementes contaminadas decresceu de 64 para 36-37% nos primeiros seis meses, para os três tratamentos. A partir de 30 meses observou-se que as sementes conservadas a -18 e 5 ºC apresentaram níveis de contaminação (58 e 72%) que diferiram significativamente das conservadas à temperatura ambiente (20%), e aos 60 meses taxas de 46%, 46% e 8%, respectivamente. A temperatura mais propícia à sobrevivência da bactéria foi 5 ºC em que se encontrou uma população máxima de 1,2 x 10(8) ufc/semente. Constatou-se, igualmente, a manutenção do poder infetivo dos isolados durante todo o armazenamento. Pode-se concluir que as condições ótimas para a conservação de sementes são as mesmas para a manutenção da longevidade de X. axonopodis pv. phaseoli.