Tuning the nanostructure of DODAB/nickel tetrasulfonated phthalocyanine bilayers in LbL films

Nanostructured films of dioctadecyldimethylammonium bromide (DODAB) and nickel tetrasulfonated phthalocyanine (NiTsPc) were layer-by-layer (LbL) assembled to achieve a synergistic effect considering the distinct properties of both materials. Prior to LbL growth, the effect of NiTsPc on the structure of DODAB vesicles in aqueous medium was investigated by differential scanning calorimetry (DSC). Therefore, DODAB/NiTsPc LbL films were prepared using NiTsPc at concentrations below and above the limit concentration of vesicle formation according to our DSC experiments. As a result, LbL films with distinct nanostructures were obtained, which were studied at micro and nanoscales by micro-Raman and atomic force microscopy, respectively. A linear growth of the LbL films was observed by ultraviolet-visible absorption spectroscopy. However, the bilayer thickness and the surface morphology of the LbL films were radically affected depending on NiTsPc concentration. The electrostatic interaction between DODAB and NiTsPc was identified via Fourier transform infrared (FTIR) absorption spectroscopy as the main driving force responsible for LbL growth. Because LbL films have been widely applied as transducers in sensing devices, DODAB/NiTsPc LbL films having distinct nanostructures were tested as proof-of-principle in preliminary sensing experiments toward dopamine detection using impedance spectroscopy (e-tongue system). The real capacitance vs. dopamine concentration curves were treated using Principal Component Analysis (PCA) and an equivalent electric circuit, revealing the role played by the LbL film nanostructure and the possibility of building calibration curves. © 2013 Elsevier B.V.

Division of labor in stable social hierarchy of the independent-founding wasp Mischocyttarus (Monocyttarus) cassununga, von Ihering (Hymenoptera, Vespidae)

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Integrated quality assessment of sediments from harbour areas in Santos-São Vicente Estuarine System, Southern Brazil

Santos-São Vicente Estuarine System is a highly populated coastal zone in Brazil and where it is located the major port of Latin America. Historically, port activities, industrial and domestic effluents discharges have constituted the main sources of contaminants to estuarine system. This study aimed to assess the recent status of sediment quality from 5 zones of Port of Santos by applying a lines-of-evidence approach through integrating results of: (1) acute toxicity of whole sediment and chronic toxicity of liquid phases; (2) grain size, organic matter, organic carbon, nitrogen, phosphorus, trace metals, polycyclic aromatic hydrocarbons, linear alkylbenzenes and butyltins; (3) benthic community descriptors. Results revealed a gradient of increasing contamination for metals and organic compounds, alongside with their geochemical carriers. Sediment liquid phases were more toxic compared to whole sediment. Low number of species and individuals indicated the impoverishment of benthic community. The use of site-specific sediment quality guidelines was more appropriate to predict sediment toxicity. The integration of results through Sediment Quality Triad approach and principal component analysis allowed observing the effects of natural stressors and dredging on sediment quality and benthic distribution. Even with recent governmental efforts to control, pollution is still relevant in Port of Santos and a threat to local ecosystems. © 2013 Elsevier Ltd.

Analyzing the effect of homogeneous frustration in protein folding

The energy landscape theory has been an invaluable theoretical framework in the understanding of biological processes such as protein folding, oligomerization, and functional transitions. According to the theory, the energy landscape of protein folding is funneled toward the native state, a conformational state that is consistent with the principle of minimal frustration. It has been accepted that real proteins are selected through natural evolution, satisfying the minimum frustration criterion. However, there is evidence that a low degree of frustration accelerates folding. We examined the interplay between topological and energetic protein frustration. We employed a Cα structure-based model for simulations with a controlled nonspecific energetic frustration added to the potential energy function. Thermodynamics and kinetics of a group of 19 proteins are completely characterized as a function of increasing level of energetic frustration. We observed two well-separated groups of proteins: one group where a little frustration enhances folding rates to an optimal value and another where any energetic frustration slows down folding. Protein energetic frustration regimes and their mechanisms are explained by the role of non-native contact interactions in different folding scenarios. These findings strongly correlate with the protein free-energy folding barrier and the absolute contact order parameters. These computational results are corroborated by principal component analysis and partial least square techniques. One simple theoretical model is proposed as a useful tool for experimentalists to predict the limits of improvements in real proteins. © 2013 Wiley Periodicals, Inc.

Validity and feasibility of qualitative behavior assessment for the evaluation of Nellore cattle temperament

The aims of this study were to assess the validity and the feasibility of the qualitative behavior assessment (QBA) method as indicator of Nellore cattle temperament under field conditions, evaluating its associations with four other traditional methods and weight gain. The temperament and live weight of 2229 Nellore cattle was assessed at approximately 550 days of age. Five measurements of cattle temperament were recorded: flight speed test (FS, in m/s), visual scores of movement in the crush (MOV), crush score (CS), temperament score (TS), and the qualitative behavior assessment method (QBA), by using a list of 12 behavioral based adjectives as descriptors of temperament. Average daily weight gain (ADG) was calculated for each animal. For statistical analysis of QBA data, the Principal Component Analysis was used. A temperament index (TI) was defined for each animal using the scores for the first principal component. Pearson's correlation coefficients were estimated between TI with FS and ADG. A mixed model ANOVA was used to analyze the TI variation as a function of TS, CS, and MOV. The score plot for the first and second principal components was used to classify the cattle in four groups (from very bad to very good temperament). The first principal component explained 49.50% of the variation in the data set, with higher positive loadings for the adjectives 'agitated' and 'active', and higher negative loadings for 'calm' and 'relaxed'. TI was significantly correlated with FS (r=0.49; P<0.01) and ADG (r=-0.10; P<0.01). The means of ADG, FS, and the temperament scores (CS, TS, MOV) differed significantly (P<0.01) among the four groups, from very bad to very good temperament. The QBA method could discriminate different behavioral profiles of Nellore cattle and were in agreement with other traditional methods used as indicators of cattle temperament. Additional studies are needed to assess the inter- and intra-observers reliability and to study its association with physiological parameters. © 2013 Elsevier B.V.

Damage Detection Based on Electromechanical Impedance Principle and Principal Components

This paper presents a novel time domain approach for Structural Health Monitoring (SHM) systems based on Electromechanical Impedance (EMI) principle and Principal Component Coefficients (PCC), also known as loadings. Differently of typical applications of EMI applied to SHM, which are based on computing the Frequency Response Function (FRF), in this work the procedure is based on the EMI principle but all analysis is conducted directly in time-domain. For this, the PCC are computed from the time response of PZT (Lead Zirconate Titanate) transducers bonded to the monitored structure, which act as actuator and sensor at the same time. The procedure is carried out exciting the PZT transducers using a wide band chirp signal and getting their time responses. The PCC are obtained in both healthy and damaged conditions and used to compute statistics indexes. Tests were carried out on an aircraft aluminum plate and the results have demonstrated the effectiveness of the proposed method making it an excellent approach for SHM applications. Finally, the results using EMI signals in both frequency and time responses are obtained and compared. © The Society for Experimental Mechanics 2014.

Características anatômicas foliares e controle químico em pós-emergência de Brachiaria decumbens e Brachiaria plantaginea

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

Análise fatorial exploratória aplicada a dados de avaliação do estado nutricional de idosos

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Estruturação do Eumenine Mastroparano por dinâmica molecular em misturas de TFE-água

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Estudo conformacional do peptídeo IAN e seus fragmentos pelo método de análise sistemática reduzida

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Suscetibilidade magnética na identificação de compartimentos da paisagem e indicador de qualidade do solo em áreas sob cultivo de cana-de-açúcar

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Adsorção de cádmio e disponibilidade de cádmio e bário em latossolos sob mata nativa e cultivados

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Avaliação da qualidade industrial de linhagens de trigo por meio de métodos físico-químicos, reológicos e de panificação

Pós-graduação em Engenharia e Ciência de Alimentos - IBILCE

Estudo das variações elétricas em filmes ultrafinos compondo as unidades sensoriais de uma língua eletrônica

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

Estrutura eletrônica de materiais orgânicos: moléculas antimalariais de sulfonamidas e anilinoquinolinas

Pós-graduação em Ciência e Tecnologia de Materiais - FC