Estudo teórico QTAIM e DFT dos compostos de coordenação: efeito quelato, titanocenos e ligação química

This work is a study of coordination compounds by quantum theory of atoms in molecules (QTAIM), based on the topological analysis of the electron density of molecular systems, both theoretically and experimentally obtained. The coordination chemistry topics which were studied are the chelate effect, bent titanocene and chemical bond in coordination complexes. The chelate effect was investigated according to topological and thermodynamic parameters. The exchange of monodentate ligands on polydentate ligands from same transition metal increases the stability of the complex both from entropy and enthalpy contributions. In some cases, the latter had a higher contribution to the stability of the complex in comparison with entropy. This enthalpic contribution is explained according to topological analysis of the M-ligand bonds where polidentate complex had higher values of electron density of bond critical point, Laplacian of electron density of bond critical point and delocalization index (number of shared electrons between two atoms). In the second chapter, was studied bent titanocenes with bulky cyclopentadienyl derivative π-ligand. The topological study showed the presence of secondary interactions between the atoms of π-ligands or between atoms of π-ligand and -ligand. It was found that, in the case of titanocenes with small difference in point group symmetry and with bulky ligands, there was an nearly linear relationship between stability and delocalization index involving the ring carbon atoms (Cp) and the titanium. However, the titanocene stability is not only related to the interaction between Ti and C atoms of Cp ring, but secondary interactions also play important role on the stability of voluminous titanocenes. The third chapter deals with the chemical bond in coordination compounds by means of QTAIM. The quantum theory of atoms in molecules so far classifies bonds and chemical interactions in two categories: closed shell interaction (ionic bond, hydrogen bond, van der Waals interaction, etc) and shared interaction (covalent bond). Based on topological parameters such as electron density, Laplacian of electron density, delocalization index, among others, was classified the chemical bond in coordination compounds as an intermediate between closed shell and shared interactions

A inserção das mulheres na Câmara Municipal de Natal (1988 - 2004)

This work has as objective to reflect about the insertion of the women in the City Council of Natal in the period from 1988 to 2004. We focused our discussion in the context of the politics of quota that has with objective to decrease the frame of inequalities existent between women and men in the politics, besides of to analyze which the determinants responsible for the women's sub-representation. The research still consists of an analysis of the councilor s women profile and how they were seen in that space of power. We analyzed our study object in a gender vision, since this is related intrinsically the social relationships and the relationships of power. The women, for a long time, they were excluded of the participation in the public life, being just seen as mere expectants. This research is informed mainly by studies which discuss the Gender (Scott, 1990), (Perrot, 1988), (Badinter, 1995), (Bruschini, 2002). We also analyzed the power, politics in the vision of Marx (1996), Foucault (1982) and (Arendt, 2001). We tried to analyze the women's presence in the spaces public and private, showing your conflicts and contradictions faced in the society, focalizing the political character of the women's inclusion in the spaces in that are inserted. The instrument of collection of data was the semi-structured questionnaire, descriptive and analytical - critical. The analyses of the interviews show to the sub-representation of women over the years as a determining factor for these women continue in the invisibility. The women were interviewed councillora ex- bounded from 1988 to 2004. The conclusion the one that we arrived is that this sub-representation has as decisive the patriarchal system that prevailed for a long time in our society and still dominates and affects women in all areas of your life. This becomes more serious in the capitalist society in which prevail the interests of those that it stops the produced wealth

O ecoturismo sob a égide da sociedade do consumo: um estudo das Unidades de Conservação de uso sustentável do RN

Ecotourism, in face to environmental demands and discussions, has achieved prominence in the tourism market and wide global development, occasioning a concern about the need for a scientific deepening through a critical approach of the dynamics of consumption and conservation that permeate this practice. This study addresses the ecotourism under aegis of consumer society, in which is perceived that it constitutes a contester practice of society in which it is embedded, nevertheless has been subjected to the logic of capital through commodification of nature. In order to comprehend the reality presented, this study had as geographical cutting two Conservation Units of Sustainable Use in Rio Grande do Norte state: the Jenipabu Environmental Protection Area (APAJ) and Ponta do Tubarão State Sustainable Development Reserve (RDSEPT). The research sought to investigate the relationship between conservation and consumption and their influences on ecotourism held in the Conservation Units (UCs) of sustainable use selected for this study. To this aim it was made a critical reflection about the relationship conservation versus consumption constant in the practice of ecotourism in UCs in the context of current society, analyzing the historical process of formation of UCs of sustainable use in RN state under the light of the contradictory pair conservation-consumption, as well as looking to apprehend the perception of ecotourism of the actors involved with this practice. It was adopted a qualitative approach under a critical perspective based on bibliographical and documentary research and realization of semi-structured interviews with three groups of actors, namely managers/technician, community and ectourists involved with ecotourism in the selected UCs. The analysis was made using two basic units of analysis (consumption and maintenance) and twelve categories. For definition of units of analysis and categories were taken as reference the authors Santos (1987; 1988; 1994; 2001; 2006), Guerreiro Ramos (1989) and A. B. Rodrigues (1996; 2003), which perform critical to society of consumption and describe the key characteristics of the technical-scientific-informational predominant means, and Diegues (1998; 2000), A. B. Rodrigues (2001), Pires (2002) and Neiman and Rabinovici (2010), which discusse historic and scientifically about the emphasis on conservation present in origins and discourse of ecotourism, describing also its founding characteristics. The main results show that the marketing use of the prefix eco has acted as a new dress for what in reality is in fact ancient, ie, the conservation is used as a justification for another new type of consumption. The results also show that despite the coexistence of commercial and symbolic intentions in both UCs, one can observe the predominance consumer society characteristics in the process of creation and the production activities of APAJ, while in RDSEPT we note the predominance of the conservationist characteristics proclaimed by ecotourism. It can be inferred therefore that tourism held in the APAJ can not be called ecotourism, while the practice found in RDSEPT show an alignment with the guidelines of ecotourism

Soil remediation using a coupled process: soil washing with surfactant followed by photo-Fenton oxidation

In the present work the use of a coupled process, soil washing and photo-Fenton oxidation, was investigated for remediation of a soil contaminated with p.p'-DDT (DDT) and p.p'-DDE (DDE), and a soil artificially contaminated with diesel. In the soil washing experiments,Triton X-100(TX-100) aqueous solutions were used at different concentrations to obtain wastewaters with different compositions. Removal efficiencies of 66% (DDT). 80% (DDE) and 100% (diesel) were achieved for three sequential washings using a TX-100 solution strength equivalent to 12 times the effective critical micelle concentration of the surfactant (12 CMC(eff)). The wastewater obtained was then treated using a solar photo-Fenton process. After 6 h irradiation, 99, 95 and 100% degradation efficiencies were achieved for DDT, DDE and diesel, respectively. In all experiments, the concentration of dissolved organic carbon decreased by at least 95%, indicating that residual concentration of contaminants and/or TX-100 in the wastewater was very low. The co-extraction of metals was also evaluated. Among the metals analyzed (Pb, Cr, Ni, Cu. Cd, Mn and Co), only Cr and Mn were detected in the wastewater at concentrations above the maximum value permitted by current Brazilian legislation. The effective removal of contaminants from soil by the TX-100 washing process, together with the high degradation efficiency of the solar photo-Fenton process, suggests that this procedure could be a useful option for soil remediation. (C) 2009 Elsevier B.V. All rights reserved.

O conceito de racionalidade em Habermas: a 'guinada lingüística' da teoria crítica

Este ensaio originalmente foi uma comunicação apresentada na UNICAMP. Foi escrito a propósito da visita de Habermas ao Brasil, esperada para o segundo semestre do ano passado. Seu objetivo imediato era fornecer algumas informações sobre as reflexões habermasianas mais recentes. Para isto, tentou-se inserir historicamente a proposta habermasiana de uma razão comunicativa no atual contexto de generalizada irrupção de formas discursivas fragmentárias relativistas e irracionalistas (o pós-estruturalismo francês e o pensiero debole italiano são os exemplos estudados). Sem pretender esgotar um tema tão complexo, tentou-se também levantar algumas questões sobre as possibilidades crítico-cognoscitivas da guinada linguística da filosofia de Habermas e de Apel.

Contribuições da teoria marxista para a educação ambiental crítica

O artigo apresenta algumas das principais contribuições da teoria marxista para a educação ambiental, considerando que a prática educativa no Brasil se constituiu em diálogo com concepções pedagógicas e autores inseridos neste campo. Iniciamos com uma breve contextualização da produção de inspiração crítica (estritamente marxista ou não) e as disputas teóricas inseridas na educação ambiental. Logo após, discorremos sobre a influência e a apropriação das pedagogias críticas e de conceitos estruturantes da concepção marxiana de educação na formulação teórico-metodológica em educação ambiental. Como síntese e conclusão, argumentamos sobre a importância do materialismo histórico-dialético nas discussões ambientais contemporâneas, refletindo criticamente sobre como ele aí se apresenta, particularmente na educação ambiental.

Avaliação laboratorial do uso de solução salina hipertônica e isotônica e de furosemida no tratamento da intoxicação por amônia em bovinos

Para testar a eficiência de vários tratamentos de intoxicação por amônia em bovinos, foram utilizados 25 garrotes que receberam cloreto de amônio por infusão intravenosa (iv) até o surgimento de quadro convulsivo. em seguida, os animais foram alocados em um dos cinco grupos experimentais e tratados da seguinte forma: 1) controle: infusão (iv) de 300mL de solução salina isotônica (SSI), no decorrer de 4h; 2) infusão (iv) de 30mL kg-1 PV de SSI no decorrer de 4h e administração de 4L de água intraruminal por meio de sonda esofágica (ASE); 3) mesmo tratamento do grupo 2 e dose única (iv) de furosemida (2mg kg-1 PV) (F); 4) injeção (iv) de 5mL kg-1 PV de solução salina hipertônica (SSH) 7,2% nos primeiros 30min, seguida de 20mL kg-1 PV de SSI e 4L de ASE; 5) mesmo tratamento do grupo 4 e dose única de F. No decorrer de 4h após a convulsão, foram determinados os teores plasmáticos de amônia e glicose, ureia, creatinina, potássio e sódio séricos, volume e gravidade específica da urina, e excreção urinária de amônio e ureia. No momento da convulsão, os teores de amônia plasmáticos foram muito altos e idênticos em todos os tratamentos, mas no 120°min, nos grupos tratados com associação de SSH+SSI+ASE (grupos 4 e 5), houve diminuição desse metabólito. O uso de furosemida (grupos 3 e 5) não aumentou a excreção total de urina. A terapia com associação de SSH+SSI+ASE aumentou ainda o volume urinário e a excreção percentual urinária de ureia e amônia durante o período crítico da 1ª hora de tratamento, mas o uso de SSI+ASE (grupos 2 e 3) teve resultados intermediários. A eficiência do tratamento com SSH+SSI+ASE ou SSI+ASE foi superior ao grupo controle. Embora com efeito menor que o observado com SSH+SSI+ASE, a SSI+ASE promoveu melhora no quadro clínico geral e, ao término do experimento, promoveu também uma adequada desintoxicação da amônia.

Interferência e estudo fitossociológico da comunidade infestante na cultura da beterraba transplantada

The objective of this research was to Study the phytosociological and critical interference periods of weed communities Oil transplanted beets. The treatments consisted of increasing weekly weedy/weed-free periods, starting it the second week after seedling transplanting. The weed community was evaluated based oil the number of individuals and their corresponding accumulated dry mass, for each weed population and evaluated period. The beets were harvested 91 days after transplanting, followed by evaluation of the cross-sectional diameter and marketable yield. The weed communities were composed mainly of Amaranthus viridis, Coronopus didymus, Galinsoga parviflora, Nicandra physaloides and Solanum americanum, and the populations were very similar. The period before weed interference and the total period of weed interference prevention were 51 and 35 days after transplanting, respectively. The beet yield in the weed-free treatment was 44.92 t ha(-1) and the reduction from weed interference was more than 70%.

Macroscopic quantum tunneling in a dc SQUID: Instanton splitting

The theory of macroscopic quantum tunneling is applied to a current-biased dc SQUID which constitutes a system of two interacting quantum degrees of freedom coupled to the environment. The decay probability is obtained in the exponential approximation for the overdamped case. Close to the critical driving force of the system, the decay of the metastable state is determined by a unique instanton solution describing the symmetric decay of the phases in each of the two Josephson juctions. Upon reducing the external driving force a new regime is reached where the instanton splits. The doubling of the decay channels reduces the decreasing of the decay rate in the quantum regime. A current-temperature phase diagram is constructed based on the Landau theory of phase transitions. Depending on the external parameters the system develops either a first- or a second-order transition to the split-instanton regime. © 1994 The American Physical Society.

Oil wastes as unconventional substrates for rhamnolipid biosurfactant production by Pseudomonas aeruginosa LBI

Oil wastes were evaluated as alternative low-cost substrates for the production of rhamnolipids by Pseudomonas aeruginosa LBI strain. Wastes obtained from soybean, cottonseed, babassu, palm, and corn oil refinery were tested. The soybean soapstock waste was the best substrate, generating 11.7 g/L of rhamnolipids with a surface tension of 26.9 mN/m, a critical micelle concentration of 51.5 mg/L, and a production yield of 75%. The monorhamnolipid RhaC10C10 predominates when P. aeruginosa LBI was cultivated on hydrophobic substrates, whereas hydrophilic carbon sources form the dirhamnolipid Rha2C10C10 predominantly. © 2005 American Chemical Society and American Institute of Chemical Engineers.

A new insight about pharmaceutical dosage forms for benzathine penicillin G

In this work, a micellar system of benzathine penicillin G (BPG) in sodium deoxycholate (NaDC) was developed and evaluated physicochemically. The solubility profile of the drug in water and buffer solutions at various pH was determined, as well as its n-octanol/water partition coefficient. The Critical Micellar Concentration of NaDC and its ability to incorporate BPG were also assessed. The study was carried out at low and high ionic strength which was adjusted by the addition of sodium chloride. The results demonstrated the ability of the micellar system to incorporate BPG, as well as to increase its apparent solubility in water. The enhancement of the solubility of BPG by the presence of NaDC micelles could be analyzed quantitatively within the framework of the pseudo-phase model. Concentration analysis showed that the micellar system could attain up to 90% incorporation of BPG. The incorporated drug is expected to exhibit improved stability, since the antibiotic enclosed in the hydrophobic core of micelles is rather shielded from the aqueous external environment.

O conceito de saber escolar clássico em Dermeval Saviani: Implicações para a Educação Matemática

The aim of this paper is initially to consider some issues related to the relationship between humanization and alienation in the process of historical social development of human gender. These considerations are fundamental for understanding the concept of classical in Dermeval Saviani and the consequences for research about the historical development of Mathematics currently found in school curriculums. The intention is to value the appropriation of school mathematics as a humanizing element that becomes accessible through the activity of teaching.

Trade and economic growth: a Latin American perspective on rhetoric and reality

Incluye Bibliografía

Geologia e Caracterização Tecnológica do Minério de Manganês da Mina Córrego do Cocho, Itapira (SP)

The objects of this study are three manganese ore deposits and one mine derived from lateritic weathering of gondites (spessartine quartzites). These deposits are associated with Mn-rich garnet metasediments of the Itapira Group (Paleoproterozoic) and the reserves were estimated at approximately 2.0 × 10 6 tons with an average grade of 23% MnO 2. The ore minerals are cryptomelane, pyrolusite, lithiophorite, spessartine and psilomelane. Several crystal shapes and textural characteristics were identifi ed in this study, which are related to the degree of liberation, as confi rmed by heavy media separation method. In this study, we determined the main characteristics of the liberation of manganese, which is concentrated in the fi ne grain-size fraction and is lost during ore dressing. Therefore, the low average content of MnO 2 (28%) is due to this loss, whereas at grain size of minus 0.074 mm, contents near 40% MnO 2 were observed. This suggests that the ore can be used for manufacturing manganese sulphate fertilizers. A comparative study with the ore deposits located at Ouro Fino (MG), mainly with the Caneleiras mine, showed that higher degree of liberation occurs in the coarse grain-size fractions (0.84 to 0.074 mm with MnO 2 content of 38%). As a consequence, the ore can be used for manufacturing Fe-Si-Mn alloys.

Acute phase protein profile in agoutis (Dasyprocta azarae; Lichtenstein, 1823) in captivity, determined by sodium dodecyl sulfate polyacrilamyde gel electrophoresis

The acute phase response refers to a nonspecific and complex systemic reaction of the organism that occurs shortly after any tissue injury. The acute phase response is considered a part of the innate host defense system, which is responsible for the survival of the host during the critical early stages of attack, and in evolutionary terms, it precedes the acquired immune response. The purpose of this study was to determine serum protein concentrations, including the acute phase protein profile in agoutis (Dasyprocta azarae) in captivity, by means of sodium dodecyl sulfate polyacrylamide gel electrophoresis. Blood samples from 11 adult healthy animals (nine females and two males) were obtained. The serum proteinogram had 21 proteins with molecular weights ranging from 15 to 240 kD. The acute phase proteins identified were: ceruloplasmin, transferrin, albumin, haptoglobin, α-1-acid glycoprotein, and hemoglobin. IgA, IgG heavy and light chains, and nonnominal identified proteins of 240, 210, 140, 98, 78, 48, 35, 31, 23, and 15 kD were also identified. The determination of the acute phase protein concentrations is a useful method for the early detection of subclinical disease or changes in the healthy animal, with predictive information on the development of disease in the future. It is possible to standardize the reference values of the serum protein profile of agoutis, which can be used for diagnosis and prognosis, treatment and clinical follow-up of nutritional disorders, and immune-mediated inflammatory diseases that may affect these animals. © 2012 Springer-Verlag London Limited.