New Molecular Species of Potential Interest to Atmospheric Chemistry: Isomers on the [H, S(2), Br] Potential Energy Surface

This work reports a state-of-the-art theoretical characterization of four new sulfur-bromine species and five transition states on the [H, S(2), Br] potential energy surface. Our highest level theoretical approach employed the method coupled cluster singles and doubles with perturbative contributions of connected triples, CCSD(T), along with the series of correlation-consistent basis sets and with extrapolation to the complete basis set (CBS) limit in the optimization of the geometrical parameters and to quantify the energetic quantities. The structural and vibrational frequencies here reported are unique and represent the most accurate investigation to date of these species. The global minimum corresponds to a skewed structure HSSBr with a disulfide bond; this is followed by a pyramidal-like structure, SSHBr, 18.85 kcal/mol above the minimum. Much higher in energy, we found another skewed structure, HSBrS (50.29 kcal/mol), with one S-Br dative-type bond, and another pyramidal-like one, HBrSS (109.80 kcal/mol), with two S-Br dative-type bonds. The interconversion of HSSBr into SSHBr can occur via a transfer of either the hydrogen or the bromine atom but involves a very high barrier of about 43 kcal/mol. These molecules are potentially a new route of coupling the sulfur and bromine chemistry in the atmosphere, and conditions of high concentration of H(2)S like in volcanic eruptions might contribute to their formation. We note that HSSBr can act as a reservoir molecule for the reaction between the radicals HSS and Br. Also, an assessment of the methods DFT/B3LYP/CBS and MP2/CBS relative to CCSD(T)/CBS provides insights on the expected performance of these methods on the characterization of polysulfides and also of more complex systems containing disulfide bridges.

Spatial variability of physical attributes of an alfisol under different hillslope curvatures

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

Fractal dimension and anisotropy of soil CO2 emission in a mechanically harvested sugarcane production area

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Mineralogy of the clay fraction of alfisols in two slope curvatures: IV - spatial correlation with physical properties

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

Soil compaction by machine traffic and least limiting water range related to soybean yield

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

Spatial relationships between soil attributes and corn yield in no-tillage system

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

Physical quality of an Oxisol cultivated with maize submited to cover crops in the pre-cropping period

The intensive use of land alters the distribution of the pore size which imparts consequences on the soil physical quality. The Least Limiting Water Range (LLWR) allows for the visualization of the effects of management systems upon either the improvement or the degradation of the soil physical quality. The objective of this study was to evaluate the physical quality of a Red Latosol (Oxisol) submited to cover crops in the period prior to the maize crop in a no-tillage and conventional tillage system, using porosity, soil bulk density and the LLWR as attributes. The treatments were: conventional tillage (CT) and a no-tillage system with the following cover crops: sunn hemp (Crotalaria juncea L.) (NS), pearl millet (Pennisetum americanum (L.) Leeke) (NP) and lablab (Dolichos lablab L.) (NL). The experimental design was randomized blocks in subdivided plots with six replications, with the plots being constituted by the treatments and the subplots by the layers analyzed. The no-tillage systems showed higher total porosity and soil organic matter at the 0-0.5 m layer for the CT. The CT did not differ from the NL or NS in relation to macroporosity. The NP showed the greater porosity, while CT and NS presented lower soil bulk density. No <= 10 % airing porosity was found for the treatments evaluated, and value for water content where soil aeration is critical (theta(PA)) was found above estimated water content at field capacity (theta(FC)) for all densities. Critical soil bulk density was of 1.36 and 1.43 Mg m(-3) for NP and CT, respectively. The LLWR in the no-tillage systems was limited in the upper part by the theta(FC), and in the bottom part, by the water content from which soil resistance to penetration is limiting (theta(PR)). By means of LLWR it was observed that the soil presented good physical quality.

Soil water retention and s index after crop rotation and chiseling

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

Least limiting water range in soil under crop rotations and chiseling

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

Estratégia de gestão ambiental baseada nos princípios da produção mais limpa : um estudo de caso focado no segmento da carcinicultura

The objective of this scientific article is to introduce the opportunities of implementation of cleaner production (CP) in a shrimp culture farm. The methodology used for this was exploratory research implemented in a production unit located in the Northeast Brazil. The scientific article approaches since generic aspects of the technique about the management to use water, energy and the effluent characterization of this productive activity. It discusses quantitative aspects, environmental questions and chances of P+L during the productive process phases. The results points to input economy in the form of feed, soil correctives, medicines, and energy applied to the process, which range from 4% to 27%, emphasizing the small profit should be viewed as a source of considerable environment return. The authors conclude for the adoption property of this technique in this agribusiness segment, point out to the management importance of the input dosage in the quality of the final effluent, besides the adoption of a physical-chemistry remediation mechanism to the residual of Sodium metabissulphite used in the process of shrimp caught

Spatial variability of soil water content and mechanical resistance of Brazilian ferralsol

The spatial variability of mechanical resistance to penetration (PR) and gravimetric moisture (GM) was studied at a depth of 0-0.40 m, in a ferralsol cropped with corn, and under conventional tillage in llha Solteira, Brazil (latitude 20 degrees 17'S, and longitude 52 degrees 25'W). The purpose of this study was to analyse and to try explaining the spatial variability of the mentioned soil physical properties using geostatistics. Soil data was collected at points arranged on the nodes of a mesh with 97 points. Geostatistics was used to analyse the spatial variability of PR and GM at four depths: 0-0. 1, 0.1-0.2, 0.2-0.3 and 0.3-0.4 m. PR showed a higher variability of data, with coefficients of variation of 52.39, 30.54, 16.91, and 15.18%, from the surface layers to the deepest layers. The values of the coefficients of variation for GM were lower: 9.99, 5.13, 5.59, and 5.69%. Correlation between GM and PR for the same soil layers was low. Penetration resistance showed spatial structure only in the 0.30-0.40 m layer, while gravimetric moisture showed spatial structure at all depths except for 0-0. 10 m. All the models of fitted semivariograms were spherical and exponential, with ranges of 10-80 m. Data for the variable 'GM' in the 0.20-0.30 and 0.30-0.40 m layers revealed a trend in data attributed to the occurrence of subsurface water flow. (C) 2005 Elsevier B.V. All rights reserved.

Inter-relation between soybean yield and soil compaction under degraded pasture in Brazilian Savannah

As pastagens cultivadas do Cerrado brasileiro são responsáveis pela metade da produtividade da carne bovina destinada à alimentação da população, enquanto as culturas agrícolas o são pela terça parte de sua produtividade de grãos, desempenhando importante papel econômico-financeiro para o país. Dessa forma, no ano agrícola 2005/2006, na Fazenda de Ensino e Pesquisa da Faculdade de Engenharia de Ilha Solteira - FEIS/UNESP, foram estudadas a variabilidade e a dependência espacial entre atributos físicos do solo e a produtividade da soja, quando rotacionados após a pastagem degradada com Brachiaria, sobre um Latossolo Vermelho distroférrico. Também foram estudadas correlações lineares e espaciais entre esses atributos, apurando condições que proporcionassem aumento da produtividade agrícola. Para isso, na área com a referida pastagem instalou-se uma malha contendo 124 pontos amostrais, com espaçamentos de 10,0 x 10,0 e de 5,0 x 5,0 m entre eles, numa área total de 7.500 m². Dos pontos de vista linear e espacial, a elevada produtividade de grãos de soja pode ser explicada em razão do número de grãos por planta e da macroporosidade do solo. A alta variabilidade obtida na maioria dos atributos do solo denotou que a integração lavoura-pecuária é um sistema que proporciona heterogeneidade do ambiente físico do solo.

Spatial and linear correlations between soil and corn

O conjunto de tecnologias aplicadas ao sistema de produção agrícola tem como características principais a verticalização da produtividade, diminuição de custos, melhoria nas características físicas, químicas e biológicas do solo para proporcionarem o crescimento sustentável do meio de produção. Desta forma, o trabalho teve como objetivo determinar a variabilidade e as correlações lineares e especiais entre os atributos da planta e do solo, visando selecionar um indicador da qualidade física do solo de boa representatividade para produção de forragem. No ano agrícola de 2006, na Fazenda Bonança, município de Pereira Barreto (SP), foram analisados a produtividade de forragem do milho outonal (FDM) em sistema plantio direto irrigado e os atributos físicos do solo, num Latossolo Vermelho distrófico. O objetivo foi estudar a variabilidade e as correlações lineares e espaciais entre os atributos da planta e os do solo, visando selecionar um indicador da qualidade física do solo de boa representatividade para a produtividade da forragem. Foi instalada a malha geoestatística, para coleta de dados do solo e planta, contendo 125 pontos amostrais, numa área de 2.500 m². Os atributos estudados, além de não terem variado aleatoriamente, apresentaram variabilidade dos dados entre baixa e muito alta e seguiram padrões espaciais bem definidos, com alcances entre 7,8 e 38,0 m. Por outro lado, a correlação linear entre os atributos da planta com o do solo foi baixa e extremamente significativa. Os pares Massa Seca de forragem versus Microporosidade e Diâmetro do colmo versus Densidade do Solo foram melhor correlacionados na camada de 0-0.10m, enquanto os outros pares - Massa Seca de Forragem versus Macroporosidade - e Porosidade Total - apresentaram correlação inversa para a mesma camada. Entretanto, do ponto de vista espacial, houve uma alta correlação inversa entre Massa Seca de Forragem com Microporosidade, de modo que a microporosidade na camada de 0-0.10m pode ser considerada um bom indicador de qualidade física do solo, tendo em vista a produção de forragem de milho.

Assessment of the genotoxicity of two agricultural residues after processing by diplopods using the Allium cepa assay

Agroindustrial by-products and residues from treatment of sewage sludge have been recently recycled as soil amendments. This study was aimed at assessing toxic potential of biosolid, obtained from a sewage treatment plant (STP), vinasse, a by-product of the sugar cane industry, and a combination of both residues using Allium cepa assay. Bioprocessing of these samples by a terrestrial invertebrate (diplopod Rhinocricus padbergi) was also examined. Bioassay assembly followed standards of the Brazilian legislation for disposal of these residues. After adding residues, 20 diplopods were placed in each terrarium, where they remained for 30 days. Chemical analysis and the A. cepa assay were conducted before and after bioprocessing by diplopods. At the end of the bioassay, there was a decrease in arsenic and mercury. For the remaining metals, accumulation and/or bioavailability varied in all samples but suggested bioprocessing by animals. The A. cepa test revealed genotoxic effects characterized by different chromosome aberrations. Micronuclei and chromosome breaks on meristematic cells and F1 cells with micronuclei were examined to assess mutagenicity of samples. After 30 days, the genotoxic effects were significantly reduced in the soil + biosolid and soil + biosolid + vinasse groups as well as the mutagenic effects in the soil + biosolid + vinasse group. Similar to vermicomposting, bioprocessing of residues by diplopods can be a feasible alternative and used prior to application in crops to improve degraded soils and/or city dumps. Based on our findings, further studies are needed to adequately dispose of these residues in the environment. © 2013 Springer Science+Business Media Dordrecht.

Efeito de sistemas de preparo e manejo do solo, culturas de cobertura e rotação nas propriedades físico-químicas do solo e na cultura do milho

Pós-graduação em Agronomia - FEIS