A partial least squares and principal component regression study of quinone compounds with trypanocidal activity

A quantitative structure-activity relationship (QSAR) study of 19 quinone compounds with trypanocidal activity was performed by Partial Least Squares (PLS) and Principal Component Regression (PCR) methods with the use of leave-one-out crossvalidation procedure to build the regression models. The trypanocidal activity of the compounds is related to their first cathodic potential (Ep(c1)). The regression PLS and PCR models built in this study were also used to predict the Ep(c1) of six new quinone compounds. The PLS model was built with three principal components that described 96.50% of the total variance and present Q(2) = 0.83 and R-2 = 0.90. The results obtained with the PCR model were similar to those obtained with the PLS model. The PCR model was also built with three principal components that described 96.67% of the total variance with Q(2) = 0.83 and R-2 = 0.90. The most important descriptors for our PLS and PCR models were HOMO-1 (energy of the molecular orbital below HOMO), Q4 (atomic charge at position 4), MAXDN (maximal electrotopological negative difference), and HYF (hydrophilicity index).

Short-term soil CO2 emission after conventional and reduced tillage of a no-till sugar cane area in southern Brazil

The impact of tillage systems on soil CO2 emission is a complex issue as different soil types are managed in various ways, from no-till to intensive land preparation. In southern Brazil, the adoption of a new management option has arisen most recently, with no-tillage as well as no burning of crops residues left on soil surface after harvesting, especially in sugar cane areas. Although such practice has helped to restore soil carbon, the tillage impact on soil carbon loss in such areas has not been widely investigated. This study evaluated the effect of moldboard plowing followed by offset disk harrow and chisel plowing on clay oxisolCO(2) emission in a sugar cane field treated with no-tillage and high crop residues input in the last 6 years. Emissions after tillage were compared to undisturbed soil CO2 emissions during a 4-week period by using an LI-6400 system coupled to a portable soil chamber. Conventional tillage caused the highest emission during almost the whole period studied, except for the efflux immediately following tillage, when the reduced plot produced the highest peak. The lowest emissions were recorded 7 days after tillage, at the end of a dry period, when soil moisture reached its lowest rate. A linear regression between Soil CO2 effluxes and soil moisture in the no-till and conventional plots corroborate the fact that moisture, and not soil temperature, was a controlling factor. Total soil CO2 loss was huge and indicates that the adoption of reduced tillage would considerably decrease soil carbon dioxide emission in our region, particularly during the summer season and when growers leave large amounts of crop residues on the soil surface. Although it is known that crop residues are important for restoring soil carbon, our result indicates that an amount equivalent to approximately 30% of annual crop carbon residues could be transferred to the atmosphere, in a period of 4 weeks only, when conventional tillage is applied on no-tilled soils. (c) 2005 Elsevier B.V. All rights reserved.

Determination of 2,4-dichlorophenoxyacetic acid and its major transformation product in soil samples by liquid chromatographic analysis

The 2,4-dichlorophenoxyacetic acid (2,4-D) is one of the most applied herbicides around the world to control broad leave herbs in many crops: In this study, a method was developed for simultaneous extraction and determination of 2,4D and its major transformation product, i.e., the 2,4-dichlorophenol (2,4-DCP), in soil samples. The herbicide and its degradation product were extracted twice from soil samples, after acidification, by dichloromethane on ultrasound system for 1 h. Both extracts were combined and filtrated in qualitative filter paper and Celitee. The total extract was concentrated in rotatory evaporator, dried under N-2 and finally dissolved in 1 ml of methanol. High Performance Liquid Chromatography with UV detection at 230 nm was used for analysis. Recoveries were obtained from soil samples fortified at 0.1, 1.0, 2.0, 3.0 and 4.0 mg kg(-1) levels and the results varied from 85 to 111% (for 2,4-D) and from 95 to 98% (for 2,4-DCP). For both compounds, the limits of quantification were 0.1 mg kg(-1), which were the loss level at which the accuracy and the precision were studied. Nevertheless, the limits of detection, calculated by considering the blank standard deviation and the minimum concentration level, were 0.03 and 0.02 mg kg for 2,4-D and 2,4-DCP, respectively. This proposed method was applied to soil samples of eucalyptus crops, which was previously treated with the herbicide. Despite that, neither 2,4-D nor its degradation product were detected 30 days after the herbicide application. (C) 2003 Elsevier B.V. B.V. All rights reserved.

Tin(II)-EDTA complex: kinetic of thermal decomposition by non-isothermal procedures

Tin on the oxide form, alone or doped with others metals, has been extensively used as gas sensor, thus, this work reports on the preparation and kinetic parameters regarding the thermal decomposition of Sn(II)-ethylenediaminetetraacetate as precursor to SnO2. Thus, the acquaintance with the kinetic model regarding the thermal decomposition of the tin complex may leave the door open to foresee, whether it is possible to get thin film of SnO2 using Sn(II)-EDTA as precursor besides the influence of dopants added.The Sn(II)-EDTA soluble complex was prepared in aqueous medium by adding of tin(II) chloride acid solution to equimolar amount of ammonium salt from EDTA under N-2 atmosphere and temperature of 50degreesC arising the pH similar to 4. The compound was crystallized in ethanol at low-temperature and filtered to eliminate the chloride ions, obtaining the heptacoordinated chelate with the composition H2SnH2O(CH2N(CH2COO)(2))(2).0.5H(2)O.Results from TG, DTG and DSC curves under inert and oxidizing atmospheres indicate the presence of water coordinated to the metal and that the ethylenediamine fraction is thermally more stable than carboxylate groups. The final residue from thermal decomposition was the SnO2 characterized by X-ray as a tetragonal rutile phase.Applying the isoconversional Wall-Flynn-Ozawa method on the DSC curves, average activation energy: E-a = 183.7 +/- 12.7 and 218.9 +/- 2.1 kJ mol(-1), and pre-exponential factor: log A = 18.85 +/- 0.27 and 19.10 +/- 0.27 min(-1), at 95% confidence level, could be obtained, regarding the loss of coordinated water and thermal decomposition of the carboxylate groups, respectively. The E-a and logA also could be obtained applying isoconventional Wall-Flynn method on the TG curves.From E-a and log A values, Dollimore and Malek procedures could be applied suggesting R3 (contracting volume) and SB (two-parameter model) as the kinetic model to the loss of coordinated water (177-244degreesC) and thermal decomposition of the carboxylate groups (283-315degreesC), respectively. Simulated and experimental normalized DTG and DSC curves besides analysis of residuals check these kinetic models. (C) 2003 Elsevier B.V. All rights reserved.

Determinação bromatológica de Pleurotus ostreatus cultivado em resíduos de diferentes cultivares de bananeira

The objective of this work was to evaluate the nutritional composition (raw protein, ether extract, raw fiber, FDA, FDN and ash) of the POS 09/100 strain of Pleurotus ostreatus grown in three combinations of residues (pseudo-stem, leave and pseudo-stem + leaf) and four banana tree cultivars (Thap maeo, Prata ana, Pelipita and Caipira). The basidiomata harvested were submitted to dehydration in a forced ventilation stove with temperature adjusted to 40 degrees C until reaching constant weight, being then grinded in a knife mill. The method proposed by Kjeldahl (1883) was used to determine total nitrogen. The Weende method (AOAC, 1997) was employed to determine crude fiber, acid-detergent fiber (ADF) and neutral detergent fiber (NDF). According to the results obtained, crude protein, ash, ADF and NDF contents varied with the kind of residue and banana tree cultivar; the substrate prepared with leaves of banana tree (Prata Ana cultivar) yielded the highest crude protein (35.4%) and ash (6.7%) contents in the basidiomata of P. streams; the substrate prepared with pseudo-stein of banana tree (Prata Ana cultivar) provided the highest ADF (31.6%) and NDF (41.9%) contents in the basidiomata of P. ostreatus. Ether extract and crude fiber contents of P. ostreatus didn't vary in function of the treatments, with averages of 2.45 and 11.27%, respectively.

Influence of temperature on larval survival, development and respiration in Chasmagnathus granulata (Crustacea, Decapoda)

Larvae of an estuarine grapsid crab Chasmagnathus granulata Dana 1851, from temperate and subtropical regions of South America, were reared in seawater (32 ‰) at five different constant temperatures (12, 15, 18, 21, 24 °C). Complete larval development from hatching (Zoea I) to metamorphosis (Crab I) occurred in a range from 15 to 24 °C. Highest survival (60% to the first juvenile stage) was observed at 18°C, while all larvae reared at 12°C died before metamorphosis. The duration of development (D) decreased with increasing temperature (T). This relationship is described for all larval stages as a power function (linear regressions after logarithmic transformation of both D and T). The temperature-dependence of the instantaneous developmental rate (D-1) is compared among larval stages and temperatures using the Q10 coefficient (van't Hoff's equation). Through all four zoeal stages, this index tends to increase during development and to decrease with increasing T (comparing ranges 12-18, 15-21, 18-24 °C). In the Megalopa, low Q10 values were found in the range from 15 to 24 °C. In another series of experiments, larvae were reared at constant 18°C and their dry weight (W) and respiratory response to changes in T were measured in all successive stages during the intermoult period (stage C) of the moulting cycle. Both individual and weight-specific respiration (R, QO2) increased exponentially with increasing T. At each temperature, R increased significantly during growth and development through successive larval stages. No significantly different QO2 values were found in the first three zoeal stages, while a significant decrease with increasing W occurred in the Zoea IV and Megalopa. As in the temperature-dependence of D, the respiratory response to changes in temperature (Q10) depends on both the temperature range and the developmental stage, however, with different patterns. In the zoeal stages, the respiratory Q10 was minimum (1.7-2.2) at low temperatures (12-18 °C), but maximum (2.2-3.0) at 18-24 °C. The Megalopa, in contrast, showed a stronger metabolic response in the lower than in the upper temperature range (Q10 = 2.8 and 1.7, respectively). We interpret this pattern as an adaptation to a sequence of temperature conditions that should typically be encountered by C. granulata larvae during their ontogenetic migrations: hatching in and subsequent export from shallow estuarine lagoons, zoeal development in coastal marine waters, which are on average cooler, return in the Megalopa stage to warm lagoons. We thus propose that high metabolic sensitivity to changes in temperature may serve as a signal stimulating larval migration, so that the zoeae should tend to leave warm estuaries and lagoons, whereas the Megalopa should avoid remaining in the cooler marine waters and initiate its migration towards shallow coastal lagoons.

Synthesis and crystal phase evaluation of hydroxylapatite using the rietveld-maximum entropy method

Bioceramic systems based on hydroxylapatite (HAP) are an important class of bioactive materials that may promote bone regeneration. The aim of this research was to evaluate how the stoichiometry of HAP influences its microstructural properties when diagnosed using the combined Rietveld method and Maximum entropy method (MEM). The Rietveld Method (RM) is recognizably a powerful tool used to obtain structural and microstructural information of polycrystalline samples analyzed by x-ray diffraction. Latterly have combined the RM with the maximum entropy method (MEM), with the goal of improve structural refinement results. The MEM provides high resolution maps of electron density and their analysis leave the accurate localization of atoms inside of unit cell. Like that, cycles Rietveld-MEM allow an excellent structural refinement In this work, a hydroxylapatite sample obtained by emulsion method had its structure refined using one cycle Rietveld-MEM with x-ray diffraction data. The indices obtained in initial refinement was Rwp = 7.50%, Re = 6.56%, S - 1.14% e RB = 1.03%. After MEM refinement and electron densities maps analysis to correction of atomics positions, the news indicators of Rietveld refinement quality was Rwp = 7.35%, Re = 6.56%, S = 1.12% and RB = 0.75%. The excellent result obtained to RB shows the efficiency of MEM as auxiliary in the refinement of structure of hydroxylapatite by RM.

Brazilian results on structural masonry concrete blocks

The purpose of this paper is to study the mechanical behavior of concrete blocks and prisms when performing axial compression tests within the Brazilian base of knowledge, intending to foment data of this kind for a world-based network. The blocks were built using five different mixtures in which the quantity of cement and the compacting ratio (density) were varied (during the fabrication process). The three-course-high prisms were assembled using 1 cm (0.39 in.) thick full-bedded joints, always trying to leave the mortar's characteristics constant. The axial compression tests were conducted according to Brazilian practice code recommendations, because most of these standards are very similar to international practice codes. The compressive strength, strains, and rupture form of each mixture studied were recorded. Attempts were made to correlate the strength, efficiency ratio (block strength/prism strength) of the prisms, strains, and rupture form; with the quantity of cement and compacting ratio. The data are presented in tables and figures, and the obtained results are discussed throughout the text. Copyright © 2007, American Concrete Institute. All rights reserved.

Absence motivated by illness: A non-concurrent prospective study of physical education teachers in the municipal education system of the city of Campinas, São Paulo, Brazil

The object of this investigation was to identify and analize aspects of the health status related to absenteism in physical education teachers in the municipal education system of the city of Campinas, Brazil, as related to the medical leave program. The non-concurrent prospective study was accomplished by means of a comparison with teachers who work only in the classroom, refering to a three year period. In the variables of greatest interest, the Pearson non-parametric chi-square (X2) statistical test was adopted. Calculations of relative risk and level of confidence were made using the Epi-info computer program. Significant differences were observed in the following diagnostic groups favoring the not exposed group: i) Supplementary Classification of factors that exercise influence over the health status and access to health services and ii) Digestive system illness; while the physical education teachers showed a significant difference in: i) diseases of the musculoskeletal and connective tissue system and ii) Injuries and poisoing. Possible explications for some of the adverse effects as well as the protective ones that were observed include physical activity as a way of life along with being a physical education teacher and on the other side, peculiar behavior of epidemiological descriptive characteristics, like sex and age, within the socio-economic context of the country. © Copyright Moreira Jr. Editora.

Hematological and incubation parameters of chicks from young breeders eggs: Variation with sex and incubation temperature

This experiment analyzed the effect of sex and incubation temperature on daily mass loss and eggshell conductance, embryo mortality rates, incubation duration, hematological parameters and body, liver, heart and bursa weights of neonatal chicks from young breeders. The daily mass loss was higher at incubation temperature of 39°C. The eggshell conductance rate increased with the temperature. The total and partial duration of incubation were lower for eggs incubated at 39°C. The time taken by the chick to leave the eggshell did not differ below and above the thermoneutral temperature. The total and intermediate embryo mortality rates increased with the incubation temperature, whereas the early and late embryo mortality rates were higher at incubation temperature of 39°C. Sex did not influence the analyzed parameters, while the incubation temperature did not affect the body and bursa weight and the erythrocytes characteristics. The liver weight of chicks incubated at 36°C was higher than the incubated at 39°C, however there were no differences among the liver weight from chicks incubated at 36 and 39°C and those incubated at 37.5°C. The number of heterophils and the heterophil/lymphocyte ratio (H/L ratio) increased following the temperature, whereas the number of lymphocytes decreased at high temperatures. The other leukocyte parameters did not suffer influence of temperature. Males and females presented similar response to variation of incubation temperatures (36, 37.5 and 39°C) and demonstrated higher sensibility to temperatures above the thermoneutral. Moreover, temperatures below the thermoneutral demonstrated to be better for improvement of hatchability and development of chicks from light eggs. © Asian Network for Scientific Information, 2010.

The international competitiveness of the Costa Rican clothing industry

Includes bibliography