Síntese e caracterização de compostos de coordenação homolépticos e heterolépticos com o ligante ácido kójico

The present work has as main objective to contribute to the coordination chemistry of the ligand kojic acid, with the synthesis and characterization of the homoleptic compounds [Al(kj)3], [Fe(kj)3], [Fe(kj)2], [Cu(kj)2] e [Ru(kj)3], and the new heteroleptic complexes, trans- K2[Fe(kj)2(CN)2] and trans-Na2[Ru(kj)2(CN)2]. The obtained compounds were characterized by vibrational spectroscopy in the infrared region (IV) and Electronic spectroscopy in the ultraviolet and visible region (Uv-Vis). The infrared results indicated the coordination of the bidentate ligand kojic acid, due to reductions in the values of the stretching frequencies of the carbonyl and double bonds, compared to the free ligand for all complexes obtained. The presence of new vibrational modes indicated the change of symmetry of the molecules in the new compounds synthesized. Additionally, the presence of vibrational modes assigned to metal-oxygen also contributed to confirm the ligand coordinating to the metal ions. Through this technique, was also possible to perform correlations of the numbers of vibrational modes, in the region 1400-900 cm-1 and the compounds geometry. The heteroleptic compounds exhibited υC≡N in 2065 and 2053 cm-1, respectively, for the trans-K2[Fe(kj)2(CN)2] and trans-Na2[Ru(kj)2(CN)2], indicating coordination of the cyano ligand to metal ions FeII e RuII. Comparing the obtained values with literature data was possible to identify the complex isomerism as trans. In relation to the results of electronic spectroscopy, studies of pH variation of kojic acid provided information on the distribution of electron density in the molecule, showing characteristic spectral profile of kojic ion and its protonated form (Hkj, kojic acid), with two bands at 215 and 269 nm, or deprotonated (kj-), with bands at 226 and 315 nm. The electronic spectra obtained for all complexes in aqueous medium, in the ultraviolet region, exhibited variations of the energies assigned to kojic acid intraligand transitions while in the visible region, only transitions assigned to charge transfer of iron and ruthenium complex have been identified

Estudo cinético da degradação térmica e catalítica de petróleo pesado usando Al-MCM-41

The mesoporous nanostructured materials have been studied for application in the oil industry, in particular Al-MCM-41, due to the surface area around 800 to 1.000 m2 g-1 and, pore diameters ranging from 2 to 10 nm, suitable for catalysis to large molecules such as heavy oil. The MCM-41 has been synthesized by hydrothermal method, on which aluminum was added, in the ratio Si/Al equal to 50, to increase the generation of active acid sites in the nanotubes. The catalyst was characterized by X-ray diffraction (XRD), surface area by the BET method and, the average pore volume BJH method using the N2 adsorption, absorption spectroscopy in the infrared Fourier Transform (FT-IR) and determination of surface acidity with application of a probe molecule - n-butylamine. The catalyst showed well-defined structural properties and consistent with the literature. The overall objective was to test the Al-MCM-41 as catalyst and thermogravimetric perform tests, using two samples of heavy oil with API º equal to 14.0 and 18.5. Assays were performed using a temperature range of 30-900 ° C and heating ratios (β) ranging from 5, 10 and 20 °C min-1.The aim was to verify the thermogravimetric profiles of these oils when subjected to the action of the catalyst Al- MCM-41. Therefore, the percentage ranged catalyst applied 1, 3, 5, 10 and 20 wt%, and from the TG data were applied two different kinetic models: Ozawa-Flynn-Wall (OFW) and Kissinger-Akahrira-Sunose (KAS).The apparent activation energies found for both models had similar values and were lower for the second event of mass loss known as cracking zone, indicating a more effective performance of Al-MCM-41 in that area. Furthermore, there was a more pronounced reduction in the value of activation energy for between 10 and 20% by weight of the oil-catalyst mixture. It was concluded that the Al-MCM-41 catalyst has applicability in heavy oils to reduce the apparent activation energy of a catalyst-oil system, and the best result with 20% by weight of Al-MCM-41

Avaliação das propriedades físico-químicas de sistemas a base de carboximetilcelulose e poli (N-isopropilacrilamida) em soluções aquosas para aplicação na indústria do petróleo

Sustainable development is a major challenge in the oil industry and has aroused growing interest in research to obtain materials from renewable sources. Carboxymethylcellulose (CMC) is a polysaccharide derived from cellulose and becomes attractive because it is water-soluble, renewable, biodegradable and inexpensive, as well as may be chemically modified to gain new properties. Among the derivatives of carboxymethylcellulose, systems have been developed to induce stimuli-responsive properties and extend the applicability of multiple-responsive materials. Although these new materials have been the subject of study, understanding of their physicochemical properties, such as viscosity, solubility and particle size as a function of pH and temperature, is still very limited. This study describes systems of physical blends and copolymers based on carboxymethylcellulose and poly (N-isopropylacrylamide) (PNIPAM), with different feed percentage compositions of the reaction (25CMC, 50CMC e 75CMC), in aqueous solution. The chemical structure of the polymers was investigated by infrared and CHN elementary analysis. The physical blends were analyzed by rheology and the copolymers by UV-visible spectroscopy, small-angle X-ray scattering (SAXS), dynamic light scattering (DLS) and zeta potential. CMC and copolymer were assessed as scale inhibitors of calcium carbonate (CaCO3) using dynamic tube blocking tests and chemical compatibility tests, as well as scanning electron microscopy (SEM). Thermothickening behavior was observed for the 50 % CMC_50 % PNIPAM and 25 % CMC_75 % PNIPAM physical blends in aqueous solution at concentrations of 6 and 2 g/L, respectively, depending on polymer concentration and composition. For the copolymers, the increase in temperature and amount of PNIPAM favored polymer-polymer interactions through hydrophobic groups, resulting in increased turbidity of polymer solutions. Particle size decreased with the rise in copolymer PNIPAM content as a function of pH (3-12), at 25 °C. Larger amounts of CMC result in a stronger effect of pH on particle size, indicating pH-responsive behavior. Thus, 25CMC was not affected by the change in pH, exhibiting similar behavior to PNIPAM. In addition, the presence of acidic or basic additives influenced particle size, which was smaller in the presence of the additives than in distilled water. The results of zeta potential also showed greater variation for polymers in distilled water than in the presence of acids and bases. The lower critical solution temperature (LCST) of PNIPAM determined by DLS corroborated the value obtained by UV-visible spectroscopy. SAXS data for PNIPAM and 50CMC indicated phase transition when the temperature increased from 32 to 34 °C. A reduction in or absence of electrostatic properties was observed as a function of increased PNIPAM in copolymer composition. Assessment of samples as scale inhibitors showed that CMC performed better than the copolymers. This was attributed to the higher charge density present in CMC. The SEM micrographs confirmed morphological changes in the CaCO3 crystals, demonstrating the scale inhibiting potential of these polymers

Percepção ambiental por uma comunidade rural do entorno de uma reserva particular do patrimônio natural (RPPN), semiárido brasileiro

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

A produção de biodiesel no assentamento Canudos RN: perspectivas e limites da inclusão social

The need to become energy self-sufficient a country with which Brazil has sought renewable energy sources due to the possibility of depletion of oil in coming decades. This paper will examine the perspective of social inclusion the latest energy plan developed by the Federal Government: the National Program of Biodiesel Production and Use - PNPB. It aims to find out whether that work with family farmers who participated in the PNPB socially included and what limits its inclusion. Secondly, the objective is to analyze the Brazilian biodiesel production and its uses. The methodology used for the preparation of this study was to examine the literature, visits to the study area, conducting interviews with the leadership of the settlement, questionnaires and semi-structured interviews with families producing sunflower. Finally, the research dealt with the statistical data. After analyzing the data was verified that the instrument PNPB is able to promote the social inclusion of family farmers, but this occurred in the initial stages because the families involved need a minimum framework of organization and infrastructure to develop activities related to biodiesel

No mutations found in exons of TP53, H-RAS and K-RAS genes in liver of male Wistar rats submitted to a medium-term chemical carcinogenesis assay

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

Propriedades termo-eletrônicas da molécula do DNA

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Transporte eletrônico e propriedades termodinâmicas de nanobiomoléculas

We use a tight-binding formulation to investigate the transmissivity and the currentvoltage (I_V) characteristics of sequences of double-strand DNA molecules. In order to reveal the relevance of the underlying correlations in the nucleotides distribution, we compare theresults for the genomic DNA sequence with those of arti_cial sequences (the long-range correlated Fibonacci and RudinShapiro one) and a random sequence, which is a kind of prototype of a short-range correlated system. The random sequence is presented here with the same _rst neighbors pair correlations of the human DNA sequence. We found that the long-range character of the correlations is important to the transmissivity spectra, although the I_V curves seem to be mostly inuenced by the short-range correlations. We also analyze in this work the electronic and thermal properties along an _-helix sequence obtained from an _3 peptide which has the uni-dimensional sequence (Leu-Glu-Thr- Leu-Ala-Lys-Ala)3. An ab initio quantum chemical calculation procedure is used to obtain the highest occupied molecular orbital (HOMO) as well as their charge transfer integrals, when the _-helix sequence forms two di_erent variants with (the so-called 5Q variant) and without (the 7Q variant) _brous assemblies that can be observed by transmission electron microscopy. The di_erence between the two structures is that the 5Q (7Q) structure have Ala ! Gln substitution at the 5th (7th) position, respectively. We estimate theoretically the density of states as well as the electronic transmission spectra for the peptides using a tight-binding Hamiltonian model together with the Dyson's equation. Besides, we solve the time dependent Schrodinger equation to compute the spread of an initially localized wave-packet. We also compute the localization length in the _nite _-helix segment and the quantum especi_c heat. Keeping in mind that _brous protein can be associated with diseases, the important di_erences observed in the present vi electronic transport studies encourage us to suggest this method as a molecular diagnostic tool

Conhecimento sobre energia eólica: um estudo exploratório a partir das redes semânticas naturais de estudantes da cidade de Natal

The human being has a fundamental role in issues concerning scarcity of energy resources as well as in the success of technologies which favor the use of renewable sources, such as wind energy. But what does wind energy mean for people? What are the psychological meanings concerning this term? Aiming to answer these questions, the general objective of this dissertation was to identify and to analyze the knowledge about wind energy taking into account a network of psychological meanings. One hundred and ninety one (191) university students from Natal-RN participated in the study, being male the majority (53%); aged between 17 and 51 years old (M=23.3 years; SD=5.7). Participants responded to self reports using the Natural Semantic Networks (NSW) technique, as well as to several sociodemographic questions. The results showed a consistent, positive and useful general semantic network. In this semantic network, knowledge about wind energy was represented by words that correspond to the appeal of (pro) environmental stance (e.g., clean and nature), that evinced both the technological aspect (e.g., force) and the economic aspect (e.g., economy). Results from different groups were also analyzed. The first set of groups (non-environemental and environmental) was divided considering the course (e.g., ecology and economy). The second set of groups(non-caretaker and caretaker) was divided based on the practice of environmental care expressed. Subtle differences were observed in the semantic networks of caretakers, who emphasized environment, an attribute not mentioned by non-caretakes. This indicates a construction of knowledge that is influenced by the presence or absence of the environmental commitment. Such findings may be useful in the construction of instruments for surveys and in the development of public and educational policies. Additionally, they may assist the media towards a more objective performance concerning wind energy

Os problemas de espalhamento quântico em potenciais elementares

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

Comparison of the dehydration kinetics of solid state compounds of 2-methoxybenzylidenepyruvate with some divalent metal ions

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Uma discussão sobre as densidades de energia em ondas mecânicas unidimensionais

Estudam-se as médias temporais das densidades das energias cinética e potencial em ondas mecânicas unidimensionais. Demonstra-se que o movimento harmônico simples dos elementos do meio não é condição suficiente nem necessária para que aquelas médias sejam iguais. Isso contradiz as abordagens em textos de Halliday et al. e Nussenzveig.

Basicities of primary arylamines and calculated amine nitrogen electronic charges

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

Simulation of the energy performance of maize production integrated to pig farming

Foi avaliado o desempenho energético da suinocultura integrada à produção de milho em grão em sistema de plantio direto mecanizado. Nesta concepção de integração proposta, os dejetos suínos são utilizados como fertilizantes na produção de milho. O sistema foi delimitado envolvendo as atividades associadas ao manejo dos suínos e de produção do milho (manejo do solo, cultivo e colheita). O período de análise considerado foi de um ano, o que possibilita a produção de três lotes de suínos e duas safras de milho. Para avaliar o desempenho energético, foram criados três indicadores: eficiência energética, eficiência de uso de fontes não renováveis e o custo de energia não renovável para a produção de proteína. As entradas energéticas são compostas pelos insumos e pela infraestrutura, utilizados na criação dos suínos e na produção de milho, e pela radiação solar incidente no agrossistema. Já as saídas são representadas pelos seus produtos (suínos terminados e o milho). Os resultados obtidos nas simulações apontam que a integração melhora o desempenho energético das granjas suinícolas, aumentando a eficiência energética (186%) e a eficiência não renovável (352%), além de reduzir o custo de energia não renovável para a produção de proteína (‑58%).

Caracterização elétrica de blocos varistores à base de SnO2

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)