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Item Novas abordagens em petroleômica: extração e caracterização de ácidos naftênicos de águas produzidas por espectrometria de massas de ultra-alta resolução(Universidade Federal de Goiás, 2020-02-12) Aguiar, Deborah Victória Alves de; Vaz, Boniek Gontijo; lattes.cnpq.br/781453471055063; Vaz, Boniek Gontijo; Coltro, Wendell Karlos Tomazelli; Carvalho, Rogério Mesquita deOil production is accompanied by water production, called produced water (PW), which is abundant in reservoirs. By being in contact with oil and in high-pressure environments, some components of oil, by equilibrium, can be transferred to water, such as naphthenic acids (NAs). NAs are associated with corrosion problems, scale formation and deposits, and high toxicity to aquatic biota. Here, we propose the use of solvent-terminated dispersive liquid-liquid microextraction (ST-DLLME) coupled with high-resolution mass spectrometry (UHR MS) in order to extract and detect PW dispersed and dissolved NAs, as well as to analyze the distribution of NAs in the oil/water balance. At first, the optimization of solvents to be used and the influence of the pH of sample AP 1 on the extraction of dispersed NAs were performed. Seven solvent systems (dispersing solvent + extracting solvent + demulsifying solvent) were used at pHs 2, 7, and 10. For analysis of dissolved NAs, sample PW 1 was subjected to a n-hexane clean-up step for removal of dispersed oil droplets. Extractions of the dispersed NAs showed that at pH 2 the solvent system that obtained the highest percentage of extracted Ox class was 7 (DCM / CH / Ace). At pH 7 and 10 in the solvent system 2 (CH / Tol / Ace) compounds above C30 were detected and a double bond equivalent (DBE) variation was found between 1 and 11. After clean-up with n-hexane a decrease of the detected carbon number range as well as the DBE range was found. The distribution of NAs in oil/water allowed for the analysis of which NAs are most likely to be transferred to water produced in both dispersed and dissolved form. In addition, ST-DLLME and miniaturized liquid-liquid extraction (LLE) were employed as extraction methodologies for samples AP 2, AP 3 and AP 4, in which it was observed that ST-DLLME reached carbon number values and DBE value higher than miniaturized LLE. In summary, ST-DLLME coupled with UHR MS can be a valuable analytical tool for the extraction of naphthenic acids in produced waters, since the use of this extraction technique minimizes the consumption of samples and solvents.Item Células solares de perovskitas: uma análise da qualidade das informações em bases de patentes e em artigos científicos(Universidade Federal de Goiás, 2019-04-24) Aguiar, Lucas Fernandes; Martins, Tatiana Duque; http://lattes.cnpq.br/9082478597898534; Martins, Tatiana Duque; Santos, Nivaldo dos; Soares, Marlon Herbert Flora BarbosaPerovskite solar cells have been the biggest driver in solar cell development in the last few years because of its low cost, it is easy to manufacture and has high power conversion efficiencies. The progress of this technology has been observed by the records achieved in efficiency since 2011 and rapidly caught the attention of the scientific community. The perovskites used are of the halogen hybrids type, where it is present a organic cation CH3NH3, a heavy metal, commonly Pb or Sn, and halogen ions or a mixture, commonly I, Br, and Cl. This study focused on understanding, by searching in patent and scientific article databases, the data that could show how the development of this technology happened, giving a bird’s eye view of the current development in the solar cell sector, as well as showing, from the results obtained, the possible routes for the development of new technologies in Brazil. Through this search it was possible to point out the main differences between the models used for developing new technologies currently in use in Asia, Europe and Brazil, as well as determine the dependency relation between the development and the the use of the international patent system and how it is fundamental for the launching of new products based on perovskite.Item Síntese, caracterização físico-química e elucidação estrutural de bischalconas simétricas(Universidade Federal de Goiás, 2019-06-07) Almeida, Lívia Oliveira Alves Ferreira de; Martins, Felipe Terra; http://lattes.cnpq.br/0466799995060671; Noda Pérez, Caridad; http://lattes.cnpq.br/7849604313803596; Noda Pérez, Caridad; Lariucci, Carlito; Costa, Maísa BorgesIn the present work the synthesis, characterization of seven symmetric bischalcones, of which two are unpublished, and the structural elucidation by means of the crystallography of one of them, besides the cytotoxic analysis of all the compounds against 3 different lines of cancer. After synthesizing the compounds were characterized by 1 H Nuclear Magnetic Resonance (NMR), melting point, infrared (IR), Mass Spectrometry (MS) and elemental analysis of C and H (CHN). The compounds were obtained by the reaction of aldol condensation between the acetone and the benzaldehydes for substituted, in a yield of between 81.19 and 26.92%. The results of 1 H NMR, MS and CHN analyzes confirmed that the expected compounds were obtained in high purity. The crystallographic study was chosen as a technique to elucidate crystalline structure because it has been shown to be of fundamental importance to know the molecular arrangement and thus serving as an important tool for pharmacology and other related areas. The data of the unpublished molecule were obtained by X-ray diffraction of monocrystal, thus allowing to evaluate the geometric parameters, the distances and the interatomic angles, intermolecular interactions and the supramolecular arrangement. The selected crystal crystallized in the monoclinic system with four symmetry operations and a 50% disorder in two of its atoms, its interatomic distances and its binding angles were measured and compared with structures previously deposited in the Cambridge Crystallographic Data Center (CCDC). With the aid of 13 C solid-state nuclear magnetic resonance (NMR-s) and theoretical energy analysis, the presence of the mixed anti-syn confomer was detected. Considering the great advance in the studies of bischalcone and its potential tumor inhibitor, these compounds were sent to the Nucleus of Research and Development of Medicines (NRDM) of the Federal University of Ceará (UFC), with the purpose of evaluating its antitumor activity against the human cancer cells (SNB-19) (glioblastoma), PC-3 (prostate) and HCT-116 (colon), obtaining values of inhibition of growth in the 11% to 100%, and the ability to inhibit (IC 50 ) 50% of cell proliferation from 0.48 to 13.17 μg.ml -1 , the best compound being the 5.Item Síntese e caracterização de nanopartículas de maguemita recobertas com sílica funcionalizada com grupos amina(Universidade Federal de Goiás, 2008-11-25) ALMEIDA, Michelly Patrícia Santana de; SARTORATTO, Patrícia Pommé Confessori; http://lattes.cnpq.br/9777959525393785Magnetic nanoparticles coated with several kinds of materials have been the focus of intense research due to their potential applications in biomedicine. This type of material contains a magnetic core that is involved by a shell of different composition. The coating of magnetic nanoparticles with amino-functionalized silica is particularly important because of its reactivity which allows the coupling with biological molecules such as fragments of DNA, antibodies, proteins, among others. In this work, maghemite nanoparticles were coated with silica and with amino-functionalized silica, the incorporation of them being achieved by using tetraethoxysilane (TEOS) and aminopropyltrimethoxysilane (APTS) as the precursors of the sol-gel system. Firstly, the magnetic fluids of maghemita were prepared and afterwards they were employed in the silica-coating procedures which were based on the Stöber method. Some experimental parameters were varied, such as the number of maghemita nanoparticles, pH of the reaction medium, time of reaction and amount of TEOS, with the aim of modulating the characteristics of the solids and obtaining stable aqueous suspensions of the materials. All products were analyzed by the following techniques: X- ray diffraction, diffuse reflectance infrared spectroscopy, dynamic light scattering, electrophoretic mobility (zeta potential) and transmission electron microscopy.Item Estudo cristaloquímico do 2-(2-tienil) -1,3 benzotiazol: polimorfos orientacionais com alto Z’ e co-cristalização com calix[4]tubo(Universidade Federal de Goiás, 2019-02-12) Alvarenga, Meiry Edivirges; Martins, Felipe Terra; http://lattes.cnpq.br/0466799995060671; Martins, Felipe Terra; Gomes, Danielle Cangussu de Castro; Chagas, Rafael Pavão dasThis work the first time a cocrystal of the so-called neutral calix[4]tube, that is two tail-to-tail arranged and partially deprotonated tetra(carboxymethoxy)calix[4]arene molecules including three sodium ions, with 2-(2-thienyl)-1,3-benzothiazole, which means a new approach into host-guest chemistry of inclusion complexes. Three packing polymorphs of the same benzothiazole with high Z’ (one with Z’ = 8 and two with Z’ = 4) were also discovered in the course of our desired cocrystallization. The inspection of these polymorphs and another previously known one with Z’ = 2 revealed that Z’ increases as the strength of intermolecular contacts decreases. By the discovery of the polymorphs the theoretical study of the intermolecular interactions was realized to understand the evolution of the value of Z’. Also, these results expand the frontier of invoking calixarenes as host for non-solvent small molecules, besides adding knowledge to the rare formation of high Z’ packing polymorphs of simple molecules as the target benzothiazole.Item Ressonância Magnética Nuclear e quimiometria como ferramentas de distinção e quantificação de metabólitos de cana-de-açúcar (Saccharum officinarum) e feijão-comum (Phaseolus vulgaris)(Universidade Federal de Goiás, 2010-06-11) ALVES FILHO, Elenilson de Godoy; ALCANTARA, Glaucia Braz; http://lattes.cnpq.br/6408676855110487; LIÃO, Luciano Morais; http://lattes.cnpq.br/2647529909397336Five different common beans cultivars (Phaseolus vulgaris) in the raw conditions, after water immersion (soaking) and after domestic processing (cooking), were studied by NMR in solution and HR-MAS NMR, to obtain a protocol that quantify the oligosaccharides raffinose, stachyose and verbascose contents in bean seeds. The looking for low contents of these oligosaccharides in bean seeds is inserted in Embrapa Arroz e Feijão objectives. This study describes yet the potentiality of chemometric analysis applied in 1H HR-MAS NMR and in solution NMR for investigation of sugarcane varieties. Sugarcane is a primordial material used in Brazil for production of ethanol biofuel. Several technologies to development of new sugarcane cultivars have mainly focused the increase of productivity and greater disease resistance. Sugarcane cultivars are usually identified by organography of leaves and stems, as well as the analysis of peroxydase and esterase isoenzyme activities, soluble total protein and soluble solids content. In this work eight different cultivars of sugarcane leaves were analyzed: RB72454, RB835054, RB835486, RB855113, RB855156, RB855453, RB855536 and RB867515. NMR and chemometric analysis showed useful tools for distinction of the different sugarcane cultivars. In addition, these techniques successfully demonstrated the chemical differences about the investigated cultivars, specially the sugar contents.Item Incorporação de nanopartículas de ferrita de cobalto (CoFe2O4) em resina epoxídica para a obtenção de nanocompósitos(Universidade Federal de Goiás, 2016-10-18) Alves Júnior, Eli Silveira; Franco Júnior, Adolfo; http://lattes.cnpq.br/0187547195548392; Sartoratto, Patrícia Pommé Confessori; http://lattes.cnpq.br/9777959525393785; Sartoratto, Patrícia Pommé Confessori; Franco Júnior, Adolfo; Caiado, Kely Lopes; Nunes, Liliane MagalhãesNanocomposites based on magnetic nanoparticles dispersed in a polymer matrix has emerged as a new class of materials that might be applied in various technology segments, such as telecommunication, aerospace and recently biomedical industry. However, obtaining nanocomposites with uniform distribution of nanoparticles in the polymeric matrix has been a challenge due to the chemical incompatibility between these materials. In this context, the objective of this study was to evaluate the homogeneity of the dispersion of cobalt ferrite (CoFe2O4) nanoparticles in an epoxy resin matrix by varying the method of incorporating them into the polymeric matrix (by adding a powder or a colloidal dispersion of nanoparticles). The prepared materials were evaluated by chemical (FTIR, AA, UV-Vis), structural (XRD), thermal (TG, DSC), morphological (DLS, SEM, TEM) and magnetic (VSM) characterization techniques. A strong correlation between the method of incorporation of the cobalt ferrite nanoparticles, the uniformity of their dispersion into the polymeric matrix and the thermal and magnetic properties of the nanocomposites was verified.Item Estudo estrutural por 1h-rmn de peptídeos bioativos isolados da secreção cutânea de Hypsiboas Albopunctatus E Leptodactylus Labyrinthicus(Universidade Federal de Goiás, 2012-02-24) ALVES, Eliane Santana Fernandes; LIÃO, Luciano Morais; http://lattes.cnpq.br/2647529909397336Currently, the emergence of fungi, bacteria and viruses resistant to multiple drugs has stimulated interest in the development of antimicrobial peptides with increased therapeutic potential. They generally have properties of extreme importance as antimicrobial selective toxicity, rapid action, specific mechanisms of action and a broad spectrum of antimicrobial action. Many of these features can be found in peptides isolated from frog skin secretions. The main factor that differentiates antimicrobial peptides from other commonly antibiotics used in the conventional therapy is related to their mechanism of action. The driving force for much of the action of antimicrobial peptides is their ability to lysis cell membranes, rapidly killing a broad spectrum of microorganisms. Accordingly, the conformation of the peptide has a great importance in their interaction with the amphiphilic structure of biological membranes. The determination of the tridimensional structure by Nuclear Magnetic Resonance (NMR) technique allows the identification of the spatial position of each amino acid residue and highlighting those that are important for its action and, therefore, could be modified to increase the antimicrobial activity. The study of the three-dimensional structure of peptides in solution is an advantage of the NMR spectroscopy, since it can simulate the physiological environment, by means of surfactants. In this context, the tridimensional structures of two synthetic peptides: ocellatin-P1G16 (GLLDTLKGAAKNVVGGLASKVMEKL-NH2), isolated from the amphibians Leptodactylus labyrinthicus, and hylin a1 (IFGAILPLALGALKNLIK-NH2), isolated from Hypsiboas Albopunctatus, were proposed by NMR. The amphipathic caracter can be visualized by separation of the helix into two distinct sides, one hydrophobic (nonpolar) and the other hydrophilic (polar). The peptide hylin a1 in presence of SDS-d25 showed helical structure between residues Ile-5 to Ile-17 and the peptide ocellatin-P1G16 in SDS-d25 micelles showed a α-helical structure between residues Leu-3 to Lys-24, both are presented in amphipathic α-helix Finally, the molecular analyses of amphipathicity, electrostatic interaction, polarity and exchange hydrogen/deuterium, corroborate the proposed model, suggesting a model of parallel orientation to the peptide hylin a1 and the peptide ocellatin-P1G16 a parallel orientation, but with the cterminal portion immersed in the micelle SDS-d25 between residues Ser-19 to Leu-25, as observed by analyzing exchange hydrogen/deuterium. These structural characteristics make these peptides promising candidates for the development of a new antimicrobial drug.Item Meso-tetra-(piridil)-porfirinas com complexos periféricos de paládio: busca por novos compostos com ação fotodinâmica(Universidade Federal de Goiás, 2020-12-16) Alves, Kamilla Moraes; Batista, Alzir Azevedo; http://lattes.cnpq.br/6469642481998660; Gonçalves, Pablo José; http://lattes.cnpq.br/0515343409614452; Martins, Felipe Terra; Iglesias, Bernardo Almeida; Gonçalves, Pablo José; Batista, Alzir AzevedoThe present dissertation had as objective at the synthesis of new photosensitizing compounds for use in Photodynamic Therapy through the modification of meso-tetra (4-pyridyl) porphyrin (TPyP). For that, phosphine binders containing palladium atoms were inserted: 1,2-bis(diphenylphosphine)ethane (dppe), 1,3-bis(diphenylphosphine) propane (dppp), 1,4-bis(diphenylphosphine)butane (dppb) and 1,1'-bis (diphenylphosphine)ferrocene (dppf), dating in porphyrins: {TPyP[PdCl(dppe)]4}(PF6)4, {TPyP[PdCl(dppp)]4}(PF6)4, {TPyP[PdCl(dppb)]4}(PF6)4 e {TPyP[PdCl(dppf)]4}(PF6)4, respectively. After synthesis, structural characterization was performed using infrared spectroscopic techniques (FTIR), elementar analysis and 1H, 13C{1H} e 31P{1H} nuclear magnetic resonance (NMR). X-ray diffraction (XRD) was used to prove a structure for obtaining monocrystal porphyrin {TPyP[PdCl(dppb)]4}BF4. Through spectroscopicUV-Vis absorption, fluorescent emission and flash-photolysis techniques, it was possible to determine the lipophilicity of the molar absorption coefficients (), the lifetime of the triplet state and the fluorescence (Φf) and oxygen production quantum singlet (ΦΔ). In addition, an interaction with DNA was evaluated through spectrophotometric titration and viscosity. Finally, phototoxicity and cytotoxicity in the tumor cell line MDA-MB231 and healthy HACAT were evaluated. Biological tests were performed on two cell lines: MDA-MB231 and MCF-10A. The experiments were carried out in the dark and in the presence of irradiation, to determine the photodynamic efficiency of the synthesized compounds. The porphyrin-derived complexes exhibited IC50 values similar to that presented by cisplatin, in the MDA-MB231 breast cell, however, with respect to the non-tumoral breast cell, MCF-10A, they were more cytotoxic than the commercial drug, so that the selectivity index values were much lower for porphyrins than that presented by cisplatin.Item Síntese, caracterização e estudo das propriedades magnéticas do Zn1-xFexO (0,00 ≤ x ≤ 0,09) produzido por reação de combustão(Universidade Federal de Goiás, 2010-11-25) ALVES, Thiago Eduardo Pereira; FRANCO JÚNIOR, Adolfo; http://lattes.cnpq.br/0187547195548392In this work compounds Zn1-xFexO, with 0.00 ≤ x ≤ 0.09, were synthesized by combustion reaction method with two different heating processes, in a thermal blanket and muffle furnace. Chemical analysis of compounds was performed by atomic absorption spectroscopy (AAS) and Fourier transform infrared (FTIR). Structural analysis of the crystalline phase, the diameter of the crystallites and the lattice parameters were checked by X-ray diffraction (XRD, powder method) and refinement software (Unitt and powder X cell). The analysis of surfaces and morphologies were determined by adsorption and desorption of N2 (ASAP, BET model) and transmission electron microscopy (TEM). Finally, Magnetic measurements were performed by vibrating sample magnetometer (VSM). The stoichiometric determined by atomic absorption is in good agreement with the calculated value for all samples. The samples were synthesized in a thermal blanket which corresponds to the wurtzite crystal structure with no secondary phases. The samples synthesized in furnace had wurtzite crystal structure, however, showed a small sample to phase segregation above 5%. The second phases are found with spinel phase indicate that the formation of zinc ferrite. The data of thermal analysis, infrared and X-ray diffraction, we show that the synthesis product in blanket form moving slowly in several stages, while that in the synthesis furnace gets the product directly. We noted the tendency of the formation of smaller particles for the samples from the thermal blanket, as well as high surface areas for these samples, those prepared in a muffle grating. Images by transmission electron microscopy confirm the observations made by x-ray diffraction measurements of surface areas by BET model. The magnetic measurements show ferromagnetic phenomenon only for the sample produced in a muffle. The saturation magnetization was calculated by extrapolation, and their values are promising when compared with the literature. The Curie temperatures were estimated for some samples and all values were well above room temperature.Item Estudos sobre a educação para as relações étnico-raciais e a descolonização do currículo de química(Universidade Federal de Goiás, 2017-07-26) Alvino, Antônio César Batista; Benite, Anna Maria Canavarro; http://lattes.cnpq.br/8433607360245647; Benite, Anna Maria Canavarro; Dias, Luciene de Oliveira; Souza, Lorena Francisco deThis study suggests the debate on the Decolonization of the Chemistry curriculum considering that America is a continent that had its social formation and culture founded on slave labor (Native Americans and Africans), the school as a microcosm of this society, in its curricula, also omits these presences. We argue that the best possible education is the one that ensures the rights of all (colonizers and colonized). However, the Brazilian school curriculum prioritizes the culture of the colonizer; in other words, the teaching of chemistry is based on European culture. The research proposes a curriculum that is committed to developing students' potentialities, understanding the organization, transformations, structure and properties of the matter and to understand the complex social and racial reality of Brazil. The objective of this research is to reconsider the teaching of chemistry by performing an epistemic displacement of the Chemistry curriculum. The empirical results presented in this text were collected in an Experimental Chemistry class that focuses on the Decolonization of the curriculum. This class had the purpose of making the epistemic displacement of the Chemistry curriculum working within the topic of the Law 10.639/03. Empirical results of three pedagogical interventions developed in the class are presented, eight excerpts from the discourse produced (biofuels, global warming, bleaching ideology, surface tension and body cleaning) are presented according to the topic of each class. The results show possibilities of teaching Chemistry from an epistemic matrix that is not European. The results indicate the need to think about the relationship between the construction of chemical knowledge and the social and racial relations within the classrooms and how they favor student development.Item Hidrocalcogenação de derivados de álcoois propargílicos mediados por calcogenolatos de zinco(Universidade Federal de Goiás, 2014-02-28) Andrade, Floyd Custódio Diniz; Barros, Olga Soares do Rego; http://lattes.cnpq.br/8311808341863723; Kato, Lucilia; http://lattes.cnpq.br/1362891438631386; Barros, Olga Soares do Rego; Kato, Lucilia; Chagas, Rafael Pavão das; Cunha, Rodrigo Luiz Oliveira RodriguesOrganylzinc chalcogenolate mediated hydrochalcogenation of propargyl alcohols organylzinc chalcogenolate (chalcogen = sulfur, selenium and tellurium) prepared from the reductive cleavage of diorganyl dichalcogenide bonds by the Zn/NH4OH system led to organylzinc chalcogenolates that provide an alternative synthetic route to produce carbon-chalcogen bonds. This work presents new synthetic methodology and discusses the general aspects and limitations of organylzinc chalcogenolate to promote the hydrochalcogenetion of 2-alkyn-1-ol derivates leading mainly the Markovnikov allylic alcohols bearing a vinylic chalcogenide substituints. We investigated the chemo, regio- and stereoselctivity for this protocol in two different systems: in aqueous medium and in organic medium.Item Tratamento químico de poluentes emergentes da indústria cosmética utilizando materiais de baixo custo(Universidade Federal de Goiás, 2019-09-06) Andrade, Pryscilla Martins de; Brito, Núbia Natália de; http://lattes.cnpq.br/9075769086344855; Ionashiro , Elias Yuki; Arruda , Andréa Fernandes; Brito, Núbia Natália deThe cosmetics industry presents a variety of products that contain numerous organic structures, which once in contact with water, release effluents with low biodegradability, high organic load, high levels of suspended solids, fats and oils. These effluents, when subjected to conventional (isolated) treatment at sewage treatment plants, based mainly on microbiological degradation, are not treated efficiently, leaving significant concentrations of emerging pollutants at the end of the treatment. As an alternative for effluent treatment from the cosmetics industry, advanced oxidation process (AOP) treatment technologies, which involve the generation of hydroxyl radical (•OH), with a 2.8 V potential redox, are interesting because present mineralization capacity of organic matter. Among them, the photo Fenton Like process is promising, as it has as its differential the feasibility of harnessing solar energy as a source of radiation and the utilization of by-products from the steel/metallurgical industry, besides providing the lowest generation of sludge. In this work, the photo Fenton Like treatment was proposed for the cosmetic effluent, using as source of iron, metallurgical residue, and as radiation source, light-emitting diode lamps (LED) and the construction of a recirculating photocatalytic reactor. An integration of technologies was proposed as the final polish using a filter built with layers of agro-industrial waste (rice husks, vermiculite and carbonized corn cob). The acid-washed metallurgical residue had about 96% iron oxide III in its composition, confirming its viability for the application of the heterogeneous photo Fenton Like process. Under the conditions of metallurgical residue with acid wash (HCl) in dosage of 8 g L-1, H2O2 in 0.05 g L-1, effluent with pH 3.0 adjustment and time of 6 minutes, the advanced oxidative treatment provided 99.25% chemical oxygen demand removals and 75.73% total organic carbon. Thermogravimetric analysis of the chemical sludge revealed the presence of 14% by mass of organic matter in the metallurgical residue, indicating that most of the organic matter present in the cosmetic matrix was oxidized. Infrared spectroscopy analysis found that the small amount of material adsorbed and possibly related to paraffin. With the combined process, advanced oxidation by heterogeneous photo Fenton Like and slow filtration, it was possible to achieve an overall removal of 99.48% COD with a final value of 255.98 mgO2 L-1, which meets the required state parameters for disposal in water sources. Through these results, the integration of the treatment technologies proved to be satisfactory for the remediation of this recalcitrant matrix, since high removal of the organic matter parameter values was achieved, which may be indicative of the possibility of integration with the treatment technologies conventional.Item Síntese, otimização e avaliação da atividade biológica de derivados de chalconas(Universidade Federal de Goiás, 2015-06-19) Anjos, Murilo Machado dos; Oliveira, Guilherme Roberto de; http://lattes.cnpq.br/8239498431579015; Oliveira, Guilherme Roberto de; Matos, Ricardo Alexandre Figueiredo de; Perez, Caridad NodaThe world's population sees aging and some diseases that become more common. Alzheimer's disease (AD) is a dementia caused by loss of cognitive function of the individual and drugs used in their treatment is based on the inhibition of the enzyme acetylcholinesterase (AChE). Cancer is a group of diseases that develop due to the disorderly proliferation of cells may be related to genetic factors as well as dietary habits and exposure to radiation, the treatment being based on three main techniques: surgery, radiation and chemotherapy. In this work we synthesized 15 compounds (11 chalcones and 4 imines), based on the condensation of Claisen-Smth, and they are characterized by NMR (1H and 13C), IV These compounds were submitted to acetylcholinesterase activity by the modified method of Elman, using CCD and Martson, in addition to the evaluation of cytotoxic tumorias lines SF-295 (glioblastoma - human), HL-60 (acute leukemia promielítica) and HCT-116 (colon). The compounds showed no activity for the enzyme AChE front of the methods employed, and this cause investigated using molecular modeling methods, which sought in the literature active compounds for this enzyme, containing resemblance with the structures synthesized in this work. 80 descriptors were calculated being submitted to statistical analysis (Fisher's weight) where the number of variables is reduced to 24 and these have been selected GAP and bond angle where it was observed that the values of the synthesized compounds, mostly It was found out of range for the active compounds. The previous modeling studies are not sufficient to determine the causes of inactivity of the compounds, being necessary to the realization of a structure and reactivity studies. The evaluation of the antitumor compounds presented become more positive as the MCH-1Item Remoção de compostos ácidos do petróleo em diferentes tipos de carvão ativado(Universidade Federal de Goiás, 2016-02-29) Araújo, Anderson Barros Caixeta; Vaz, Boniek Gontijo; Ostroski, Indianara Conceição; http://lattes.cnpq.br/9689394915288313; Ostroski, Indianara Conceição; Vaz, Boniek Gontijo; Oliveira, Emília Celma de; Romão, WandersonThe naphthenic acids comprise a complex mixture of carboxylic acids that are present in petroleum. They are directly responsible for the oil acidity and its corrosiveness in liquid phase during the refining process. Such compounds are also presents in the derivatives, causing several problems to product quality. A possible way of removing these acids from those oil fractions is using the adsorption process in porous solids, as activated carbons. There are few studies about the removal of naphthenic acids on coals. For this reason, we chose four types of activated carbons for adsorption tests, and they coal babassu, palm kernel, coconut and of Bahia ox bone. In order to assess the possibility of further removing acidic compounds, the four carbons were subjected to a chemical treatment with concentrated sodium hydroxide. Physical and chemical analyzes were performed in order to promote the characterization of all adsorbents, showing that the treatment previously mentioned was leading to an increase in the adsorption capacity of the coals. The adsorption experiments with commercial batch naphthenic acid solution showed that the treated ox bone char had the highest retention efficiency, which is the adsorbent used to construct the adsorption isotherms. The isotherms were better adjusted by Langmuir model, revealing the chemisorption of character adsorptive process. The thermodynamic data showed that the process is spontaneous and endothermic, is favored by increasing the temperature. Regarding the crude oil sample, batch adsorption experiments were conducted in such a way as to determine the removal efficiency of class O2 and reducing the Total Acid Number (IAT). The results spectrometry FTICR ix MS Pasta, they showed that all coals chemically treated were able to remove more acidic compounds in relation to their untreated related. The raw coals babassu oil, palm oil and coconut Bahia showed a potential for adsorption of nitrogen compounds from oil, given that there was a decrease in its class in the class chart. As a final analysis, all the coals were evaluated for their ability to lower oil IAT, it was found that the ox bone char treated again achieved the best result, reducing by 70% the value of the IAT.Item Análise termodinâmica da gaseificação do licor negro em água supercrítica(Universidade Federal de Goiás, 2022-01-28) Araújo, Beatriz Mendes Mazon de; Souza, Thiago Leandro de; http://lattes.cnpq.br/7431199944070783; Alonso, Christian Gonçalves; Machado, Guilherme Duenhas; Souza, Thiago Leandro deBlack liquor (BL) is a by-product of the pulp and paper industry process. Its composition is full of organic and inorganic matter and products of lignin’s solubilisation. Nowadays, black liquor has been used as a burning source for the boilers and generates the biggest part of the electricity in the industry where it’s produced. However, the actual process has low efficiency, reduced flexibility, besides promoting the emission of harmful gases and corrosion in boilers. The supercritical water gasification (SCWG) introduces many advantages when compared to current recovery process of black liquor, making possible the generation of high added value gases such as hydrogen and methane and contributing to energetic efficiency of the plants. In this work, a thermodynamic analysis of supercritical water gasification was conducted in a black liquor representative compound, from the Kraft process and eucalyptus wood. The chemical-and-phase equilibrium calculations were performed using Gibbs minimization method, with a non-stoichiometric approach, that is, the direct Gibbs minimization. To simulate the gas phase behaviour, two different models were compared: the ideal gas mixture model and the Peng Robinson state equation with the van der Waals mixing rule. The solid phase was considered as pure graphite carbon. From the simulations performed, a sensitivity analysis of of pressure and temperature influence on the balance composition of the reactive system was conducted, what makes possible to predict behaviors and so, makes easier decision making, saving time and resources. The Results indicate that besides generate value added gases, BLSCWG could also produce more thermal energy when compared to conventional BL recovery process.Item Desenvolvimento do método de extração por eletromembrana para análise de ácidos naftênicos em água produzida por espectrometria de massas de ultra-alta resolução(Universidade Federal de Goiás, 2021-07-20) Araújo, Giovanna Lopes de; Chaves, Andréa Rodrigues; http://lattes.cnpq.br/6064014965252121; Vaz, Boniek Gontijo; http://lattes.cnpq.br/7814534710550639; Vaz, Boniek Gontijo; Chaves, Andréa Rodrigues; Coltro, Wendell Karlos Tomazelli; Nascentes, Clésia CristinaMiniaturized techniques are better alternatives than traditional sample preparation techniques. They use simpler and more direct approaches, reducing the waste generated at the end of the process. Innovatively, these techniques can be applied to create more eco-friendly routine methodologies that contribute to analytical chemistry. This work develops a methodology using Electromembrane Extraction (EME) for the extraction of carboxylic acids, called Naphthenic Acids (NAs). These toxic species are found in Produced Water (PW), an effluent from the petroleum industry. Comparing it to other miniaturized techniques, it obtains better recoveries and shorter extraction times with EME, due to the application of the electric field. The applicability of the EME technique is explored here for the first time in a matrix such as PW. For this, an adaptation of the traditional methodology was carried out, using the hollow fiber membrane in a “U” shape. The conditions that demonstrated the best performance for EME-UHRMS was the 1-decanol as an organic solvent in SLM, pH of 10, five minutes of extraction applying 200 V, and a ratio of 1:4 of matrix and buffer. A migration analysis of some analytes through the membrane was also performed, observing relationships between the Log P and ion mobility. The analytical performance of EME-UHRMS was evaluated for three standards of NAs, obtaining calibration curves with R2> 0.98. LODs and LOQs were between 0.12 to 0.20 μg mL-1 and 0.40 and 0.67 μg mL-1, respectively, generating a huge influence on the matrix of the research data. The relative recovery of the technique is 75% and 111%, adequate values for the EME methodology used. Finally, EME-UHRMS was effectively applied in the produced water sample, demonstrating a more homogeneous extraction of the analytes when compared to the ones obtained by the classical Liquid-Liquid Extraction (LLE) technique.Item Estudo da determinação de ácido ascórbico em solução utilizando eletrodo de carbono vítreo modificado com Nafion®(Universidade Federal de Goiás, 2017-03-28) Araújo, Kelly Rejane de Oliveira; Colmati Junior, Flávio; http://lattes.cnpq.br/0231242349462585; Colmati Junior, Flavio; Angelucci, Camilo Andrea; Arruda, Andrea FernandesThis work was developed with the objective of determining the oxidation profile of ascorbic acid in solution using cyclic voltammetry, square wave voltammetry and differential pulse voltammetry, observing the oxidation behavior due to the increase in the concentration of ascorbic acid in solution using In the electrochemical measurements, a carbon-modified glass-carbon electrode and Nafion®, a polymer widely used in electrochemical analysis. The experiments had an emphasy on standard ascorbic acid analysis, but were also performed with vitamin C tablets of different trade marks, obtaining in both a significant increase of the anodic peak currents coming from the oxidation of the ascorbic acid, resulting from a good stability Of the modified working electrode. For comparison purposes with the Nafion®-modified glass carbon electrode, standard ascorbic acid analyzes were also performed with the use of the vitreous carbon electrode. With the results of the analysis it was possible to determine the mass of ascorbic acid found in vitamin C tablets, from the construction of an analytical curve, in which it presented the necessary parameters for this. By varying the scanning velocities of the analyzes by cyclic voltammetry, it was possible to find out when plotting the current x square root velocity graphs by which process the oxidation of ascorbic acid on the electrode surface would occur. The electrochemical experiments with standard ascorbic acid showed the oxidation behavior by varying the pH of the phosphate buffer solution, evidencing the best pH range to work using the Nafion® modified glass carbon electrode. The use of square wave and differential pulse voltammetry techniques allowed to now the profile of the oxidation of ascorbic acid in vitamin C tablets, demonstrating a better sensibility in the peak current signal by the use of differential pulse voltammetry.Item Geração de compostos químicos de interesse via pirólise lenta da microalga spirulina platensis(Universidade Federal de Goiás, 2021-02-25) Arruda, Ketley Costa Rocha; Andrade, Laiane Alves de; http://lattes.cnpq.br/6777831109573242; Ostroski, Indianara Conceição; http://lattes.cnpq.br/9689394915288313; Ostroski, Indianara Conceição; Andrade, Laiane Alves de; Alonso, Christian Gonçalves; Borél, Lidja Dahiane Menezes SantosInvestigations on the use of microalgae biomass, converted by pyrolysis, to replace fossil fuels have increased over the past decade. However, bio-oil contains oxygenated and nitrogenous compounds that prevent its direct application. Although prejudicial to biofuel, nitrogenous compounds could be separated and used for other applications, such as in the production of fine chemicals. Therefore, the potential of the highly proteinaceous biomass Spirulina platensis was evaluated to identify the optimum conditions for the production of high added-value nitrogenous compounds in liquid fraction via slow pyrolysis. Thus, in this work, the effects of operational conditions mass load, temperature, and heating rate on the liquid yield and the formation of nitrogenous compounds were evaluated using Experimental Design and Response Surface Methodology (RSM) techniques. An optimization study was performed through the use of Differential Evolution methodology (DE) to determine the operating conditions that maximize the liquid yield. After the pyrolysis process, extraction and adsorption routes were evaluated as potential processes for the separation of nitrogenous compounds. The experimental results indicated that bio-oil produced from slow pyrolysis of Spirulina platensis is a promising source for the generation of nitrogenous compounds, with a maximum of 90.64% of the compounds identified by gas chromatography – mass spectrometry (GC-MS) at mass conditions of 3.75 g, temperature 450 °C and heating rate of 1.7 ° C min-1. The results showed that operating conditions, especially the heating rate, significantly impacted both the liquid yield and the formation of these compounds. From the experimental test at optimal conditions (1.78 g, 556 °C and 10.48 °C m-1) a maximum liquid yield of 64.59% was obtained. The experimental values showed good agreement with the corresponding predicted values, with an error of less than 10%. The extraction with phosphoric acid showed to be a promising route to selectively separate the classes of compound, having remained cyclic compounds in the heavy phase and non-cyclic compounds in the light phase. While adsorption using activated carbon from coconut shell chemically treated with phosphoric acid (FAAC) was favorable in the selective separation of nitrogen compounds, especially the class of amides.Item Licenciaturas em Química do IF Goiano: concepções e influências no contexto formativo(Universidade Federal de Goiás, 2016-08-03) Aves, Dylan Ávila; Mesquita, Nyuara Araújo da Silva; http://lattes.cnpq.br/6971106875143413; Mesquita, Nyuara Araújo da Silva; Felício, Cinthia Maria; Souza, Aparecido Ribeiro deThe deficit of teachers in the country throughout the history of Brazil is due to many factors and among them the low expectations for the teaching profession presented by young Brazilians, especially in the areas of Exact Sciences, contributed to the Federal Government to establish from the law No. 11,892 / 08, the Federal Institutes (IF) should allocate 20% (twenty percent) of the budget funds for degree courses and teacher qualifications. The state of Goiás currently has two IF, the IFG and the IF Goiano, each institution has five chemistry degree courses created from the year 2008. In this study we sought to analyze the training context in degree courses in Chemistry IF Goiano and used as research objects courses Pedagogical Project (PPP) of the five undergraduate programs of the institution, in order to analyze the professional profile sought this in the documents built by the members of each campus, and also use the "voices "the licentiate in chemistry obtained from questionnaires, to seek the views and perspectives imposed on teacher training. Analyses signaled that although undergraduate courses, direct courses for teacher training with the technological bias and the formation of structure has a trodden direction in the training model by technical rationality. This model can interfere in the professional profile to be formed in the IF Goiano, which can approach the bachelor's degree programs. This distortion in the formation may possess intrinsic relationship with the habitus set of IF Goiano, which compromises the teacher training of future teachers, in order not to become autonomous and reflective teachers. is denoted by the voices of licensees, that the teaching profession is not the first option after completing the course and end up choosing to work in industries, laboratories, other areas, or end up postponing the educational performance when enrolling in graduate school and this lack of perspective may be related to the lack of incentive and encouragement in their own courses. The survey also allowed us to analyze the implicit concepts in PPC interfere with the type of teacher training not targeted by the survey, able to exercise it in the educational field, with a survey of the overlap of the chemical field, which contributes to the misconception with relation to the training model of the teacher, which is a professional performer of routine activities, not using research as a tool towards a transformative education.