Materiais a base de estruturas carbonáceas para a remoção de ácidos húmicos em soluções aquosas através da adsorção e oxidação

O presente estudo aborda a utilização de carvão ativado comercial na remoção de ácidos húmicos em meio aquoso. O objetivo principal é desenvolver e caracterizar materiais carbonáceos visando aplicações de remoção de ácidos húmicos em meio aquoso por processos de adsorção e oxidação. Testes de remoção do poluente foram desenvolvidos com a utilização do carvão comercial, carvão modificado a partir de tratamentos ácidos e compósito confeccionado com a impregnação de ferro no carvão. Espumas de carbono com dispersões de carvão ativado e óxidos de ferro também foram desenvolvidas buscando aplicações de remoção do poluente através de processos eletroquímicos. Os resultados das caracterizações demonstraram ganho de área superficial a partir do tratamento ácido, a presença dispersa de ferro em todo carvão na forma de fase maghemita com a introdução do metal, e ganho de estabilidade eletroquímica na espuma, com a presença de dispersões de carvão ativados impregnados com ferro. O processo oxidativo Fenton, foto assistido por radiação UV, demonstrou maior eficiência para remoção do ácido húmico em água.

Aplicação e otimização de métodos eletroquímicos combinados para remoção e determinação de cromo hexavalente em efluentes simulados

Hexavalent chromium is a heavy metal present in various industrial effluents, and depending on its concentration may cause irreparable damage to the environment and to humans. Facing this surrounding context, this study aimed on the application of electrochemical methods to determine and remove the hexavalent chromium (Cr6+) in simulated wastewater. To determine was applied to cathodic stripping voltammetry (CSV) using ultra trace graphite electrodes ultra trace (work), Ag/AgCl (reference) and platinum (counter electrode), the samples were complexed with 1,5- diphenylcarbazide and then subjected to analysis. The removal of Cr6+ was applied electrocoagulation process (EC) using Fe and Al electrodes. The variables that constituted the factorial design 24, applied to optimizing the EC process, were: current density (5 and 10 mA.cm-2), temperature (25 and 60 ºC), concentration (50 and 100 ppm) and agitation rate (400 and 600 RPM). Through the preliminary test it was possible the adequacy of applying the CSV for determining of Cr6+, removed during the EC process. The Fe and Al electrodes as anodes sacrifice showed satisfactory results in the EC process, however Fe favored complete removal in 30 min, whereas with Al occurred at 240 min. In the application of factorial design 24 and analysis of Response Surface Methodology was possible to optimize the EC process for removal of Cr6+ in H2SO4 solution (0.5 mol.L-1), in which the temperature, with positive effect, was the variable that presented higher statistical significance compared with other variables and interactions, while in optimizing the EC process for removal of Cr6+ in NaCl solution (0.1 mol.L-1) the current density, with positive effect, and concentration, with a negative effect were the variables that had greater statistical significance with greater statistical significance compared with other variables and interactions. The utilization of electrolytes supports NaCl and Na2SO4 showed no significant differences, however NaCl resulted in rapid improvement in Cr6+ removal kinetics and increasing the NaCl concentration provided an increase in conductivity of the solution, resulting in lower energy consumption. The wear of the electrodes evaluated in all the process of EC showed that the Al in H2SO4 solution (0.5 mol.L-1), undergoes during the process of anodization CE, then the experimental mass loss is less than the theoretical mass loss, however, the Fe in the same medium showed a loss of mass greater experimental estimated theoretically. This fact is due to a spontaneous reaction of Fe with H2SO4, and when the reaction medium was the NaCl and Na2SO4 loss experimental mass approached the theoretical mass loss. Furthermore, it was observed the energy consumption of all processes involved in this study had a low operating cost, thus enabling the application of the EC process for treating industrial effluents. The results were satisfactory, it was achieved complete removal of Cr6+ in all processes used in this study.

Novos protocolos teóricos utilizados nos estudos das ligações hidrogênio-hidrogênio, na estabilidade do tetraedrano, seus derivados e das reações de diels-alder e na quantificação da afinidade de fármacos

This thesis was performed in four chapters, at the theoretical level, focused mainly on electronic density. In the first chapter, we have applied an undergraduate minicourse of Diels-Alder reaction in Federal University of Rio Grande do Norte. By using computational chemistry tools students could build the knowledge by themselves and they could associate important aspects of physical-chemistry with Organic Chemistry. In the second chapter, we studied a new type of chemical bond between a pair of identical or similar hydrogen atoms that are close to electrical neutrality, known as hydrogen-hydrogen (H-H) bond. In this study performed with complexed alkanes, provides new and important information about their stability involving this type of interaction. We show that the H-H bond playing a secondary role in the stability of branched alkanes in comparison with linear or less branched isomers. In the third chapter, we study the electronic structure and the stability of tetrahedrane, substituted tetrahedranes and silicon and germanium parents, it was evaluated the substituent effect on the carbon cage in the tetrahedrane derivatives and the results indicate that stronger electron withdrawing groups (EWG) makes the tetrahedrane cage slightly unstable while slight EWG causes a greater instability in the tetrahedrane cage. We showed that the sigma aromaticity EWG and electron donating groups (EDG) results in decrease and increase, respectively, of NICS and D3BIA aromaticity indices. In addition, another factor can be utilized to explain the stability of tetra-tert-butyltetrahedrane as well as HH bond. GVB and ADMP were also used to explain the stability effect of the substituents bonded to the carbon of the tetrahedrane cage. In the fourth chapter, we performed a theoretical investigation of the inhibitory effect of the drug abiraterone (ABE), used in the prostate cancer treatment as CYP17 inhibitor, comparing the interaction energies and electron density of the ABE with the natural substrate, pregnenolone (PREG). Molecular dynamics and docking were used to obtain the CYP1ABE and CYP17-PREG complexes. From molecular dynamics was obtained that the ABE has higher diffusion trend water CYP17 binding site compared to the PREG. With the ONIOM (B3LYP:AMBER) method, we find that the interaction electronic energy of ABE is 21.38 kcal mol-1 more stable than PREG. The results obtained by QTAIM indicate that such stability is due a higher electronic density of interactions between ABE and CYP17

Cálculo das incertezas climáticas sobre América do Sul utilizando modelos do CMIP5: aferição através das redes neurais artificiais

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Materiais bionanocompósitos a base de argilominerais e hidróxidos duplos lamelares como sistemas de liberação de fármacos

Bionanocomposites systems clay base (montmorillonite and sepiolite), layered double hidroxides and biopolymers (carboxymethylcellulose and zein) were evaluated as topical delivery systems with antibacterial activity and as oral delivery systems. For this study, neomycin, a topical antibiotic, indicated mainly for open wound infections. The drug amoxicillin, an antibiotic indicated mainly for throat infections, were also used in this study. Both antibiotics were used as model drugs. Initially, drugs were incorporated directly into the biopolymer matrix, comprising the combination of carboxymethylcellulos and zein, being conformed as movies and balls and evaluated for their antibacterial activity and controlled release simulating gastrointestinal fluids. Moreover, hybrids materials have been prepared where the neomycin drug was incorporated into the lamellar inorganic solids, such as montmorillonite by ion exchange reaction, and the fibrous type, such as sepiolite by adsorption in aqueous solution. But the drug amoxicillin was incorporated into layered double hydroxides by anion exchange and montmorillonite by cation exchange. The resulting hybrids were in turn combined with the biopolymer matrix yielding bionanocomposites shaped materials such as films were tested for their antibacterial activity, and the shaped materials beads were tested for their release in the gastrointestinal fluids. Through the analysis of various physico-chemical techniques, we observed the interactions between the studied materials, the formation of hybrids materials, obtaining the bionanocomposites materials and material efficiency when applied in controlled release of drugs both topical and use oral mainly influenced by the presence of zein, are promising as topical delivery systems and oral drugs.

Avaliação sistemática de uma abordagem para integração de funcionalidades em sistemas web clonados

The software product line engineering brings advantages when compared with the traditional software development regarding the mass customization of the system components. However, there are scenarios that to maintain separated clones of a software system seems to be an easier and more flexible approach to manage their variabilities of a software product line. This dissertation evaluates qualitatively an approach that aims to support the reconciliation of functionalities between cloned systems. The analyzed approach is based on mining data about the issues and source code of evolved cloned web systems. The next step is to process the merge conflicts collected by the approach and not indicated by traditional control version systems to identify potential integration problems from the cloned software systems. The results of the study show the feasibility of the approach to perform a systematic characterization and analysis of merge conflicts for large-scale web-based systems.

Avaliação da aplicabilidade de correlações matemáticas e redes neurais na predição de parâmetros de especificação do diesel

Diesel fuel is one of leading petroleum products marketed in Brazil, and has its quality monitored by specialized laboratories linked to the National Agency of Petroleum, Natural Gas and Biofuels - ANP. The main trial evaluating physicochemical properties of diesel are listed in the resolutions ANP Nº 65 of December 9th, 2011 and Nº 45 of December 20th, 2012 that determine the specification limits for each parameter and methodologies of analysis that should be adopted. However the methods used although quite consolidated, require dedicated equipment with high cost of acquisition and maintenance, as well as technical expertise for completion of these trials. Studies for development of more rapid alternative methods and lower cost have been the focus of many researchers. In this same perspective, this work conducted an assessment of the applicability of existing specialized literature on mathematical equations and artificial neural networks (ANN) for the determination of parameters of specification diesel fuel. 162 samples of diesel with a maximum sulfur content of 50, 500 and 1800 ppm, which were analyzed in a specialized laboratory using ASTM methods recommended by the ANP, with a total of 810 trials were used for this study. Experimental results atmospheric distillation (ASTM D86), and density (ASTM D4052) of diesel samples were used as basic input variables to the equations evaluated. The RNAs were applied to predict the flash point, cetane number and sulfur content (S50, S500, S1800), in which were tested network architectures feed-forward backpropagation and generalized regression varying the parameters of the matrix input in order to determine the set of variables and the best type of network for the prediction of variables of interest. The results obtained by the equations and RNAs were compared with experimental results using the nonparametric Wilcoxon test and Student's t test, at a significance level of 5%, as well as the coefficient of determination and percentage error, an error which was obtained 27, 61% for the flash point using a specific equation. The cetane number was obtained by three equations, and both showed good correlation coefficients, especially equation based on aniline point, with the lowest error of 0,816%. ANNs for predicting the flash point and the index cetane showed quite superior results to those observed with the mathematical equations, respectively, with errors of 2,55% and 0,23%. Among the samples with different sulfur contents, the RNAs were better able to predict the S1800 with error of 1,557%. Generally, networks of the type feedforward proved superior to generalized regression.

Aprendizagem significativa: uma proposta de ensino e aprendizagem da geometria euclidiana espacial no ensino médio

This dissertation is a research based on the Meaningful Learning Theory, with students from the second year of High School, in the city named Capinzal do Norte, state of Maranhão. The pedagogic approach of this research focuses on what to do and how to do so students can better grasp knowledge inherent to the Euclidean Special Geometry in a more meaningful and changing way, also that information may be kept longer in their brain, so it can last longer in the present and future. The methodological strategy adopted was the research-action, followed by the constant observance of a researcher on the matter with the purpose to ensure consistent results, which come from the use of a variety of data collector instruments, such as: Concept Maps, manipulatives, educational softwares and application of evaluative tests, besides the observations made throughout the process of investigation and the diagnosis itself. It is all due to the fact that we rely on the premise that knowledge is assimilated in particular and idiosyncratic ways, which means each and every student learns in different ways and in different periods of time. That is why it is so important to develop diversified methodologies to the same subject. This research adds to the other ones related to the theoretical frameworks of the Meaningful Learning Theory, of Concept Maps, of the use of technology on the educational process and of manipulatives, which purpose is to connect their common dots. This pedagogical intervention also focuses on the construction of the educational orientations with applicability directly on class, directed specially by the Mathematics teacher of the basic education, who might use them during your teaching practice. Such guidelines established here as an educational product aim to follow the Theory's assumptions that serves as basis to this research, thus becoming an educational element with a relevant significance. The results, with which we are faced, proved overwhelming to the proposed objectives in terms of learning, which were evident in the construction of Conceptual Maps, as well as in the use of Concrete Materials, in addition to serving as a motivational element to participating students of research. The results obtained are indeed reliable in terms of learning, considered the expected goals, and made us certain that the way we have approached the subject is consistent with a holistic education and that at the same time values the tiniest details, which are fundamental to all the learning-teaching process.

Análise wavelet da variabilidade do quasar 3C 273

Discovered in 1963, 3C 273 was the second quasar identified and cataloged in the Third Cambridge Catalog for radio sources, and the first one for which emission lines were identified with a hydrogen sequence redshifted. It is the brightest quasar of the celestial sphere, the most studied, analyzed, and with a resulting abundance of data available in a vast literature. The accurate analysis of the deviations of the spectral lines of quasars provides enough information to put in evidence the variation of fundamental constants of nature and similarly the universe expansion rate. The analysis of the variability of the light curves of these bodies, and the consequent accuracy of their periodicity, is of utmost importance as it provides an efficiency of their observations, enables a greater understanding of the physical phenomena, and makes it possible to conduct spectral observations on more accurate dates (when their light curves show pronounced peaks and therefore richer spectra information). In this master’s thesis twenty eight light curves from the quasar 3C 273 are studied, covering all the electromagnetic spectrum wavebands (radio emission to gamma rays), totaling in the analysis of four light curves for each waveband. We have applied the method of Continuous Wavelet Transform using the sixth-order (!0 = 6) Morlet wavelet function, and obtained excellent results in accordance with the literature.

Análise wavelet da variabilidade do quasar 3C 273

Discovered in 1963, 3C 273 was the second quasar identified and cataloged in the Third Cambridge Catalog for radio sources, and the first one for which emission lines were identified with a hydrogen sequence redshifted. It is the brightest quasar of the celestial sphere, the most studied, analyzed, and with a resulting abundance of data available in a vast literature. The accurate analysis of the deviations of the spectral lines of quasars provides enough information to put in evidence the variation of fundamental constants of nature and similarly the universe expansion rate. The analysis of the variability of the light curves of these bodies, and the consequent accuracy of their periodicity, is of utmost importance as it provides an efficiency of their observations, enables a greater understanding of the physical phenomena, and makes it possible to conduct spectral observations on more accurate dates (when their light curves show pronounced peaks and therefore richer spectra information). In this master’s thesis twenty eight light curves from the quasar 3C 273 are studied, covering all the electromagnetic spectrum wavebands (radio emission to gamma rays), totaling in the analysis of four light curves for each waveband. We have applied the method of Continuous Wavelet Transform using the sixth-order (!0 = 6) Morlet wavelet function, and obtained excellent results in accordance with the literature.

Estudo e aplicação da transformada de Fourier na regularização de dados sísmicos na exploração de petróleo

In the oil prospection research seismic data are usually irregular and sparsely sampled along the spatial coordinates due to obstacles in placement of geophones. Fourier methods provide a way to make the regularization of seismic data which are efficient if the input data is sampled on a regular grid. However, when these methods are applied to a set of irregularly sampled data, the orthogonality among the Fourier components is broken and the energy of a Fourier component may "leak" to other components, a phenomenon called "spectral leakage". The objective of this research is to study the spectral representation of irregularly sampled data method. In particular, it will be presented the basic structure of representation of the NDFT (nonuniform discrete Fourier transform), study their properties and demonstrate its potential in the processing of the seismic signal. In this way we study the FFT (fast Fourier transform) and the NFFT (nonuniform fast Fourier transform) which rapidly calculate the DFT (discrete Fourier transform) and NDFT. We compare the recovery of the signal using the FFT, DFT and NFFT. We approach the interpolation of seismic trace using the ALFT (antileakage Fourier transform) to overcome the problem of spectral leakage caused by uneven sampling. Applications to synthetic and real data showed that ALFT method works well on complex geology seismic data and suffers little with irregular spatial sampling of the data and edge effects, in addition it is robust and stable with noisy data. However, it is not as efficient as the FFT and its reconstruction is not as good in the case of irregular filling with large holes in the acquisition.

Estudo e aplicação da transformada de Fourier na regularização de dados sísmicos na exploração de petróleo

In the oil prospection research seismic data are usually irregular and sparsely sampled along the spatial coordinates due to obstacles in placement of geophones. Fourier methods provide a way to make the regularization of seismic data which are efficient if the input data is sampled on a regular grid. However, when these methods are applied to a set of irregularly sampled data, the orthogonality among the Fourier components is broken and the energy of a Fourier component may "leak" to other components, a phenomenon called "spectral leakage". The objective of this research is to study the spectral representation of irregularly sampled data method. In particular, it will be presented the basic structure of representation of the NDFT (nonuniform discrete Fourier transform), study their properties and demonstrate its potential in the processing of the seismic signal. In this way we study the FFT (fast Fourier transform) and the NFFT (nonuniform fast Fourier transform) which rapidly calculate the DFT (discrete Fourier transform) and NDFT. We compare the recovery of the signal using the FFT, DFT and NFFT. We approach the interpolation of seismic trace using the ALFT (antileakage Fourier transform) to overcome the problem of spectral leakage caused by uneven sampling. Applications to synthetic and real data showed that ALFT method works well on complex geology seismic data and suffers little with irregular spatial sampling of the data and edge effects, in addition it is robust and stable with noisy data. However, it is not as efficient as the FFT and its reconstruction is not as good in the case of irregular filling with large holes in the acquisition.

Análise da variabilidade climática sobre a produtividade da soja no município de Bom Jesus (PI)

The climate is still main responsible for the variations soybean productivity (Glycine max (L.) Merrill), exerting a limiting action on these agricultural systems. The bomjesuense cerrado, this culture has proved, over the years, an increase of cultivated areas, however, productivity does not keep the same pace, going through periods of oscillations. Thus, although the crop is added to high technology, culture has great vulnerability to climatic adversities. Thus, the present study aims to analyze possible trends in meteorological variables, which can influence the soybean yield in Bom Jesus. For this purpose, different datasets were used, as follows: i) two periods of daily data (1984-2014 and 1974-2014), both obtained from the National Meteorological Institute (INMET); ii) climate normals from 1961-1990 as defined by INMET; iii) local agricultural production data of soybean-year (1997/1998 to 2012/2013) obtained from the Municipal Agricultural Production (PAM) dataset, which is management by Brazilian Institute of Geography and Statistics (IBGE). The analysis procedures included calculations of climate normals for 1984 to 2014 period and some statistical applications, as follows: i) the Wilcoxon test, used to evaluate differences between climate normals (1961 to 1990 and 1984 to 2014); ii) the Mann-Kendall nonparametric test, in order to analyze the linear trend of agrometeorological variables (rainfall, maximum temperature, minimum temperature and diurnal range of temperature; iii) cluster analysis by Ward method and the Spearman correlation test (rs) to identify the relationship between agrometeorological variable and soybean annual productivity. We adopted a statistical significance level of 5%. The results indicate changes in seasonality of the 1984-2014 climatology with respect to past climatology for all variables analyzed, except for insolation and precipitation. However, the monthly analysis of precipitation indicate negative trend during October and positive trend in December, causing a delay in start of rainy season. If this trend is persistent this result must be considered in futures definitions of the soybean crop sowing date over the region studied. With Mann-Kendall test was possible to identify positive trends with statistical significance in maximum temperature for all month forming part of soybean cycle (from November to April), which in turn tends to cause adverse effects on crop physiology, and consequently impacts on the final yield. Was identified a significant positive correlation between soybean yield and precipitation observed in March, thus precipitation deficit in this month is harmful to the soybean crop development. No statistically significant correlation was identified among maximum temperature, minimum temperature, and DTR with annual soybean productivity due these range of meteorological variables are not limiting factors in the final soybean yield in Bom Jesus (PI). It is expected that this study will contribute to propose planning strategies considering the role of climate variability on soybean crop final yield.

Explorando a matemática dentro da calculadora

This dissertation aims to suggest the teacher of high school mathematics a way of teaching logic to students. For this uses up a teaching sequence that explores the mathematical concepts that are involved in the operation of a calculator one of the greatest symbols of mathematics.

Explorando a matemática dentro da calculadora

This dissertation aims to suggest the teacher of high school mathematics a way of teaching logic to students. For this uses up a teaching sequence that explores the mathematical concepts that are involved in the operation of a calculator one of the greatest symbols of mathematics.