SISTAX - An intelligent tool for recovering information on natural products chemistry

This work describes the development of a new program, named SISTAX, for the expert system SISTEMAT. This program allows anyone interested in chemotaxonomy to carry out an intelligent search for organic compounds in databases through chemical structures. When coupled with can efficient encoding system, the program recognizes skeletal types and can find any substructural constraints demanded by the user. An example of an application of the program to the diterpene class found in plants is described.

Potassium leaching from millet straw as affected by rainfall and potassium rates

Pearl millet (Penisetum glaucum) is an interesting species to be used as cover crop in tropical areas, showing a high ability in potassium uptake. Potassium (K) is not linked to organic compounds in the plant, and can easily be released from decaying straw becoming available for subsequent crops. This experiment evaluated K leaching from millet straw grown under potassium rates (0, 100, 200, and 300 mg dm-3), and submitted to five levels of simulated rain (5, 10, 20, 40, and 80 mm). Plants were grown in soil filled pots in a greenhouse. On the 50th day after emergence, the plants were desiccated with glyphosate. Artificial rain was applied over the straw. Potassium deficiency speeds up millet dehydration after herbicide application and increases lightly rain water retention in the straw. The amount of K leached right after plant desiccation is correlated with the residue nutrient content and can be as high as 64 kg ha-1 considering a mulch of 8 t ha -1. Although well-nourished millet plants release considerable amounts of K with the first rains, a large percentage of the nutrient is still retained in the straw. Copyright © Taylor & Francis, Inc.

Modelling study of the impact of deep convection on the utls air composition - Part I: Analysis of ozone precursors

The aim of this work is to study the local impact on the upper troposphere/lower stratosphere air composition of an extreme deep convective system. For this purpose, we performed a simulation of a convective cluster composed of many individual deep convective cells that occurred near Bauru (Brazil). The simulation is performed using the 3-D mesoscale model RAMS coupled on-line with a chemistry model. The comparisons with meteorological measurements show that the model produces meteorological fields generally consistent with the observations. The present paper (part I) is devoted to the analysis of the ozone precursors (CO, NO x and non-methane volatile organic compounds) and HO x in the UTLS. The simulation results show that the distribution of CO with altitude is closely related to the upward convective motions and consecutive outflow at the top of the convective cells leading to a bulge of CO between 7 km altitude and the tropopause (around 17km altitude). The model results for CO are consistent with satellite-borne measurements at 700 hPa. The simulation also indicates enhanced amounts of NO x up to 2 ppbv in the 7-17 km altitude layer mainly produced by the lightning associated with the intense convective activity. For insoluble non-methane volatile organic compounds, the convective activity tends to significantly increase their amount in the 7-17km layer by dynamical effects. During daytime in the presence of lightning NO x, this bulge is largely reduced in the upper part of the layer for reactive species (e.g. isoprene, ethene) because of their reactions with OH that is increased on average during daytime. Lightning NO x also impacts on the oxydizing capacity of the upper troposphere by reducing on average HO x, HO 2, H 2O 2 and organic hydroperoxides. During the simulation time, the impact of convection on the air composition of the lower stratosphere is negligible for all ozone precursors although several of the simulated convective cells nearly reach the tropopause. There is no significant transport from the upper troposphere to the lower stratosphere, the isentropic barrier not being crossed by convection. The impact of the increase of ozone precursors and HO x in the upper troposphere on the ozone budget in the LS is discussed in part II of this series of papers.

Contribuiçã ao estudo de caracterizaçã de depó formados no papel

Deposits formed on the surface of. paper were analysed in order to identify the sources of the defects, as well as to solve the problems associated with performance and adjustments at the wet end of the paper forming process. Standard paper samples containing deposits were collected and analysed by comparing the microstructure and composition of the deposit with paper regions adjacent to it. Optical microscopy (OM). energy dispersive X-ray microanalysis (EDX) X-ray powder diffraction (XRD). thermogravimetric analysis (TGA) and scanning electron microscopy (SEM) were the techniques used in this study. The results obtained from the EDX, XRD. and TG techniques allowed concluding that the calcium carbonate content in the farm of calcite is 1.6 times higher in the formed deposit them the quantity expected in the standard paper composition. The paper sample microstructure revealed by the SEM images indicates the presence of irregular spherical aggregates up to 20μm in diameter in the deposit region. containing larger amount of calcium carbonate as well as in the regions adjacent to the deposit. These spherical aggregates seem to be absorbed and integrated into the pulp fibres and present characteristics similar to those of partially cooked cationic starch. The analysed deposits are characterised by a dense and thick substance, forming a plate with highly adhesive property. This adhesive substance has a characteristic similar to glue with a large amount of organic matter due to the high weight loss shown by the TG curve. The results are consistent with the interaction ofparticles of negatively charged calcium carbonate and cationic starch, forming sterically stabilized deposits, which firmly adhere to the paper microstructure.

Determination of BTEX by GC-MS in air of offset printing plants: Comparison between conventional and ecological inks

The use of inks containing organic solvents by the offset printing process implies in the release of volatile organic compounds to the work environment. Many of these compounds such as benzene, toluene, ethylbenzene, and the xylene isomers (well known by the acronym BTEX) are extremely toxic. In this study, the BTEX concentrations were determined in two different printing plants that use distinct types of inks: the conventional and the so-called ecological, which is manufactured based on vegetal oil. Concentration ranges were 43-84, 15-3,480, 2-133, 5-459, and 2-236 μg m-3 for benzene, toluene, ethylbenzene, m + p-xylene, and o-xylene, respectively, for the conventional printing plant. At the ecological printing plant, concentration ranges were below limit of detection (

Magnetoelectric coefficient in strontium ruthenate buffered lanthanum modified bismuth ferrite thin films grown by chemical method

This paper focuses on the magnetoelectric coupling (ME) at room temperature in lanthanum modified bismuth ferrite thin film (BLFO) deposited on SrRuO 3-buffered Pt/TiO 2/SiO 2/Si(100) substrates by the soft chemical method. BLFO film was coherently grown at a temperature of 500 °C. The magnetoelectric coefficient measurement was performed to evidence magnetoelectric coupling behavior. Room temperature magnetic coercive field indicates that the film is magnetically soft. The maximum magnetoelectric coefficient in the longitudinal direction was close to 12 V/cmOe. Dielectric permittivity and dielectric loss demonstrated only slight dispersion with frequency due the less two-dimensional stress in the plane of the film. Polarization reversal was investigated by applying dc voltage through a conductive tip during the area scanning. We observed that various types of domain behavior such as 71 ° and 180° domain switching, and pinned domain formation occurred. Copyright © 2009 American Scientific Publishers All rights reserved.

Cellular damages in the Allium cepa test system, caused by BTEX mixture prior and after biodegradation process

Petroleum and derivatives have been considered one of the main environmental contaminants. Among petroleum derivatives, the volatile organic compounds benzene, toluene, ethylbenzene and xylene (BTEX) represent a major concern due to their toxicity and easy accumulation in groundwater. Biodegradation methods seem to be suitable tools for the clean-up of BTEX contaminants from groundwater. Genotoxic and mutagenic potential of BTEX prior and after biodegradation process was evaluated through analyses of chromosomal aberrations and MN test in meristematic and F 1 root cells using the Allium cepa test system. Seeds of A. cepa were germinated into five concentrations of BTEX, non-biodegraded and biodegraded, in ultra-pure water (negative control), in MMS 4×10 -4M (positive control) and in culture medium used in the biodegradation (blank biodegradation control). Results showed a significant frequency of both chromosomal and nuclear aberrations. The micronucleus (MN) frequency in meristematic cells was significant for most of tested samples. However, MN was not present in significant levels in the F 1 cells, suggesting that there was no permanent damage for the meristematic cell. The BTEX effects were significantly reduced in the biodegraded samples when compared to the respective non-biodegraded concentrations. Therefore, in this study, the biodegradation process showed to be a reliable and effective alternative to treat BTEX-contaminated waters. Based on our results and available data, the BTEX toxicity could also be related to a synergistic effect of its compounds. © 2011 Elsevier Ltd.

Application of micronucleus test and comet assay to evaluate BTEX biodegradation

The BTEX (benzene, toluene, ethylbenzene and xylene) mixture is an environmental pollutant that has a high potential to contaminate water resources, especially groundwater. The bioremediation process by microorganisms has often been used as a tool for removing BTEX from contaminated sites. The application of biological assays is useful in evaluating the efficiency of bioremediation processes, besides identifying the toxicity of the original contaminants. It also allows identifying the effects of possible metabolites formed during the biodegradation process on test organisms. In this study, we evaluated the genotoxic and mutagenic potential of five different BTEX concentrations in rat hepatoma tissue culture (HTC) cells, using comet and micronucleus assays, before and after biodegradation. A mutagenic effect was observed for the highest concentration tested and for its respective non-biodegraded concentration. Genotoxicity was significant for all non-biodegraded concentrations and not significant for the biodegraded ones. According to our results, we can state that BTEX is mutagenic at concentrations close to its water solubility, and genotoxic even at lower concentrations, differing from some described results reported for the mixture components, when tested individually. Our results suggest a synergistic effect for the mixture and that the biodegradation process is a safe and efficient methodology to be applied at BTEX-contaminated sites. © 2012 Elsevier Ltd.

Identificação de microrganismos resistentes ao herbicida ácido 2,4-diclorofenóxiacético (2,4-D) em solos de Rondônia, Brasil

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Influence of Agroforestry and Traditional Management of Maize (Zea mays L.) on Soil Fertility

The aim of the work was to evaluate soil nutrient concentration at 0-5, 5-10, and 10-20 cm in maize (Zea mays L.) grown in sequence with black oats (Avena strigosa Schreb.) under Leucaena diversifolia alley cropping agroforestry system (AFS) and traditional management system/sole crop (without trees-TS), following a randomized block design. The experiment was carried out at the Brazilian Association of Biodynamic Agriculture, in Botucatu, São Paulo, Brazil. The treatments were: control (C), chemical fertilizer (F), biomass of L. diversifolia alley cropping (B), and biomass of L. diversifolia alley cropping + chemical fertilizer (B+F). After 2 yr, it was observed that pH, organic matter, and nutrient content had a tendency to show higher values in the treatments biomass+fertilizer, biomass, and fertilizer application, in both systems. Higher values in pH, organic matter, phosphorus, potassium, calcium, magnesium, sum of bases, cation exchange capacity, percentage base saturation, boron, copper, and manganese tended to occur in the agroforestry system. © 2013 Copyright Taylor and Francis Group, LLC.

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.

Phenolic composition of the berry parts of hybrid grape cultivar BRS Violeta (BRS Rubea×IAC 1398-21) using HPLC-DAD-ESI-MS/MS

The grape is considered a major source of phenolic compounds when compared to other fruits and vegetables, however, there are many cultivars with distinct characteristics directly linked to phenolic profile. Thus, the present study aimed to identify and quantify, for the first time and in detail, the phenolic compounds present in the skin, flesh and seeds of BRS Violeta grape berry using combination of SPE methodologies and analytical HPLC-DAD-ESI-MS/MS. The study was extended to the different berry parts and the most important grape and wine phenolic families, and has revealed interesting features. Violeta grape has a very thick skin (46% of grape weight) that accumulated the most of grape phenolic compounds: great amount of anthocyanins (3930. mg/kg, as malvidin 3,5-diglucoside), together with also important amounts of flavonols (150. mg/kg, as quercetin 3-glucoside), hydroxycinnamic acid derivatives (HCAD; 120. mg/kg, as caftaric acid), and proanthocyanidins (670. mg/kg, as (+)-catechin); in contrast, it seems to be a low resveratrol producer. Violeta grape seeds accounted for similar proportions of low molecular weight flavan-3-ols (mainly monomers; 345. mg/kg, as (+)-catechin) and proanthocyanidins (480. mg/kg, as (+)-catechin). Violeta grape is a teinturier cultivar, but it only contained traces of anthocyanins and low amounts of all the other phenolic types in its red-colored flesh. The anthocyanin composition of Violeta grape was dominated by anthocyanidin 3,5-diglucosides (90%). Within flavonols, myricetin-type predominated and kaempferol-type was missing. In addition to expected hydroxycinnamoyl-tartaric acids, several isomeric esters of caffeic and p-coumaric acids with hexoses were tentatively identified, accounting for relevant proportions within the pool of HCAD. Although pending of further confirmation over successive vintages, the aforementioned results suggest that BRS Violeta grape cultivar could be considered an interesting candidate for the elaboration of highly colored and antioxidant-rich grape juices and wines. © 2013 Elsevier Ltd.

Análise do imprinting e da expressão dos genes H19 e IGF2 em células de Sertoli humanas apos exposição in vitro ao 2,3,7,8-Tetraclorodibenzo-p-dioxina (TCDD)

Pós-graduação em Biologia Geral e Aplicada - IBB

Atributos químicos e biológicos de solos sob diferentes ecossistemas e adicionados de material vegetal de soja

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Avaliação de apoptose induzida por extrato orgânico de material particulado atmosférico, rico em hidrocarbonetos policíclicos aromáticos, na região urbana de Araraquara durante a safra e entressafra de cana-de-açúcar

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)