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Item Abordagem dos princípios da Química Verde por meio do lúdico na formação ambiental de profissionais da química(Universidade Federal de Goiás, 2018-05-28) Costa, Mariângela Célia Souza; Mesquita, Nyuara Araújo da Silva; http://lattes.cnpq.br/6971106875143413; Echeverría, Agustina Rosa; Brito, Núbia Natália deThe environmental questions have been put forward for discussion in the formation of Chemistry professionals since the 20th Century’s end and the 21st Century’s beginning. In this context, the Green Chemistry (GC), even though is a recent perspective for the chemists’ professional formation, needs to be inserted in the formative discussions extent of students and industrial chemists. Even though it comes as an evaluation aspect in the chemists formation, being even a requested content in the Student Performance Nation Exam (SPNE), there are still gaps regarding the theme’s insertion throughout the graduation. Considering such aspect, this research aimed at making a documentary survey from the Chemistry Course Pedagogical Projects (CPP) in the state of Goias to identify the Green Chemistry theme’s presence in the referred pedagogical proposals. Beyond that, it was proposed the theme insertion in the Chemistry students’ formation by a playful activity carried out in a Chemistry Jury format about the GC and its 12 principles. The methodology adopted in this second moment, of Chemistry Jury development, was the research- action which involves various phases such as problem investigation, action planning, development and process evaluation. From the data collected three analysis categories emerged. The first has a relation with the appropriation of the concepts involved in the 12 principles by the students, the second refers to the characters’ representation process by the students, and the third category relates to the GC in the critical environmental education perspective and the students’ simplistic view. In the face of the analysis made in this research it is inferred that the insertion of the GC theme is necessary, and its principles from the critical environmental education in the Chemistry students’ formation as well as the Chemistry Jury appears as teaching strategies that make the theme discussion possible with everyone’s participation in a classroom giving voice to the students and putting them as protagonists in the teaching and learning process.Item O acidente radiológico de Goiânia e seus desdobramentos nos currículos da licenciatura em Química em Goiás: uma leitura freireana(Universidade Federal de Goiás, 2021-11-02) Nunes, Luclécia Dias; Mesquita, Nyuara Araújo da Silva; http://lattes.cnpq.br/6971106875143413; Mesquita, Nyuara Araújo da Silva; Soares, Marlon Herbert Flora Barbosa; Silva Filho, Juvenal Carolino da; Genovese, Cinthia Letícia de Carvalho RoversiIn Goiânia, in 1987, a radiological accident occurred with a Cesium 137 source, which could have been avoided if those involved had basic knowledge about some symbols related to the scientific context and to Radioactivity, which highlights the role of the school and teachers with regard to scientific literacy. Thus, this research sought to understand the relationship between the theme Radioactivity and scientific literacy, in the formation of Chemistry teachers, in the state of Goiás and the possible implications for their teaching performance. For this, a reading of the radiological was made from the Freireana perspective, seeking to understand the social relations that emerged in the context of the actions imbricated in the history of the accident. We also analyzed the PPC for degrees in Chemistry offered by the IES in the state and questionnaires sent to basic education teachers, in order to identify whether the courses include the theme Radioactivity and the accident in focus, so that we can understand, in terms of teacher training and action, the obliterating reflexes of the (non)approach to the Radioactivity theme in initial training for a pedagogical practice that considers scientific literacy as a (trans)forming element. In the analytical process, two a priori categories were used: the formation of Chemistry teachers in the state of Goiás and scientific literacy; and the approach of Radioactivity in the training of Chemistry teachers and na emerging category: the influences of initial training in relation to the theme Radioactivity in the teaching performace of Chemistry teachers in basic education. As a theoretical interlocutor for this tese and for data analysis, we used the theoretical framework from Paulo Freire. By analyzing the first category, we see that in the PPC there is evidence that the IES are conducting the training of undergraduates in Chemistry through the bias of scientific literacy, as all documents bring elements that indicate a pedagogical proposal that seeks to train teachers through a critical and reflective considering elements that characterize the formation for citizenship. In the processo of analyzing the second category, it was observed that of the 16 IES that offer the degree course in Chemistry, nine PPC have disciplines that somehow address the theme Radioactivity, three PPC have specific disciplines on the theme, but only one explicit in its menu that will address nuclear accidents. The analysis of the questionnaries showed that the teachers either did not study on the theme, or studied it superficially and the accident was little discussed, which reverberated in their teaching performance. Thus, what we infer from the analyzed documents was that, although there are indications that guide the reader initially to glimpse that the undersgraduate are being trained in the perspective of being prepared to, in their future teaching action, act as Chemistry teachers, who literate their students scientifically, the work as a whole shows that this training will most likely not be achieved in relation to the theme Radioactivity. Because, in general, teachers trained in Chemistry at the IES in the state of Goiás do not have opportunities to learn and discuss Radioactivity content and, specially the accident with Cesium 137, therefore, they are not prepared to scientifically literate education students basic in relation to theme Radioactivity.Item Adsorção de compostos nitrogenados utilizando carvão ativado(Universidade Federal de Goiás, 2017-06-22) Ferreira, Maria Eugênia de Oliveira; Alonso, Christian Gonçalves; http://buscatextual.cnpq.br/buscatextual/visualizacv.do?id=K4777466U2; Ostroski, Indianara Conceição; http://buscatextual.cnpq.br/buscatextual/visualizacv.do?id=K4751610A4; Oliveira, Sérgio Botelho de; Vaz, Boniek Gontijo; Alonso, Christian GonçalvesHeavy petroleum fractions, especially the vacuum residue, concentrate the largest amounts of nitrogen compounds. Such compounds are considered contaminants of the refining process, and interfere in the conversion steps to obtain lighter derivatives from the heavy fractions. In this study, the aim was to evaluate the removal of nitrogen compounds by adsorption process. Quinoline solution solubilized in toluene was used as a synthetic filler. Commercial activated carbons from coconut shell of babaçu and dendê in their original form and chemically modified with concentrated solutions of nitric and sulfuric acid, as well as sulfonated carbon developed from the rice husk, were evaluated for the adsorption capacity against compounds nitrogen residues present in the vacuum residue and synthetic charge. The textural characteristics of the adsorbents were also evaluated, in which it was observed that the modification with acid reduces the specific area of the activated carbons, but it promotes an increase in the removal of quinoline from the medium. From the preliminary batch adsorption test, the activated carbon from dendê treated with sulfuric acid (CDAS) was able to remove 67.08% of the quinoline present in the solution and was selected for kinetic and equilibrium study. The adsorption kinetics of quinoline were relatively fast for the three concentrations studied (500, 2000, 5000 mg L-1), reaching equilibrium after 240, 120 and 60 minutes of contact, respectively. The kinetic data for the three systems fit the pseudo-second order model better. The equilibrium data were better adjusted to the Freundlich model, revealing the physisorption character of adsorptive process. The maximum adsorption capacity obtained by Langmuir model was 56.63 mg g-1. The results show that CDAS is a promising adsorbent for the removal of quinoline in organic medium. In relation to the vacuum residue sample, batch adsorption tests were conducted in such a way to ascertain the efficiency in class N removal. The results of Mass Spectrometry, ESI (±) Orbitrap MS, showed that the adsorbents CBB and CBAN were more selective in the removal of the non-basic nitrogen compounds, while the basic nitrogenous ones were more persistent and were not removed by any of the adsorbents tested.Item Adsorção de contaminantes emergentes e o ambiente aquático: estrutura fitoplanctônica na presença de sulfametoxazol e diclofenaco(Universidade Federal de Goiás, 2022-12-15) Duarte, Joyce Auxiliadora Paiva; Bortolini, Jascieli Carla; http://lattes.cnpq.br/5475113165248615; Ostroski, Indianara Conceição; http://lattes.cnpq.br/9689394915288313; Ostroski, Indianara Conceição; Vendruscolo, Francielo; Nogueira, Ina de SouzaChemical products from anthropogenic activities have been one of the main sources of groundwater contamination. They can enter the aquatic environment through domestic sewage, leaching of pesticides and inadequate disposal of chemical products. One of the processes used to remove these contaminants is adsorption, in which different adsorbent materials can be subjected to chemical treatments to improve efficiency in operation. However, environmental analyses are rarely performed with post adsorption effluents. Thus, this study investigates the adsorption process for the emerging contaminants, the anti-inflammatory drug diclofenac (DCF) and the antibiotic sulfamethoxazole (SMX), as well as to evaluate the effects of these drugs on the aquatic environment evaluating the phytoplankton community structure. So, the coconut shell of dendê (Elaies guineenses Jacq) activated carbon was submitted to different chemical treatments and the same were tested in batchs in the removal of DCF and SMX. Kinetic and equilibrium data were obtained for the two contaminants using the best adsorbent. This data was best fitted to Freundlich pseuso-second order models and the best adsorbent was the one treated with phosphoric acid (CDAF), resulting in 80.63% removal for diclofenac and 91.49% removal for sulfamethoxazole. A microcosm experiment was conducted with 16 sampling units, each one with 500 mL of water sample containing phytoplankton exposed to these drugs at different concentrations (0.1, 0.5, and 1.0 mg.L-1). The experiment lasted 15 days, and samples were collected on days 0, 3, 5, 7, and 14 to evaluate the phytoplankton community, the concentrations of the drugs, and the nutrients in the samples. Using the filtered samples from the adsorption assay, representing the effluent from the adsorption process diluted to reach a concentration of 1.0 mg.L-1, plus the acclimated reservoir water containing microalgae, we performe a similar experiment as above, also lasting 15 days. It was identified 6 groups of microalgae, cyanobacteria, diatoms, green algae, myxotrophic flagellates, desmids and xanthophyceans, among them, diatoms and green algae were the most diverse and abundant groups for both experiments. In the first experiment, without containing the effluent, there were significant differences with the use of different concentrations in the samples with DCF in the cyanobacteria groups and significant differences for the desmids group containing SMX. In the post-adsorption effluent experiment, only the desmids group with DCF was significant for the use of the different adsorbents, but by ANOVA the total phytoplankton abundance was significant for the different adsorbents, while in the first experiment the time of duration/exposure to the drugs was significant. In conclusion, this study identified differences in the composition of phytoplankton groups for the two contaminants in the two experiments and in a short period there was a significant response to the interaction between microorganisms and exposure time, and between the different adsorbents used, showing a tendency to decrease the concentration of the drugs in the presence of these microorganisms. Then, the more resistant groups of algae develop more easily, the more sensitive ones decrease or stop developing.Item Adsorção e fotodegradação de corantes, amarelo crepúsculo e azul brilhante, para tratamento de efluentes de indústrias alimentícias(Universidade Federal de Goiás, 2013-04-26) Sá, Fernando Pereira de; Nunes, Liliane Magalhães; http://lattes.cnpq.br/6591210839894513; Nunes, Liliane Magalhães; Colmati Júnior, Flávio; Monteiro Júnior, Oyrton Azevedo de Castro; Seolatto, Araceli Aparecida; Borges, Elisangela Cardoso de LimaEffluents that are discarded by food industry are important sources of water pollution, as they may contain high concentrations of organic matter and intense color. We used the technique of design of experiments to evaluate the influence of some variables in the study of adsorption of food colors, sunset yellow and brilliant blue. The “batch” method was used to assess the effects of variaable: contact time, pH0 and concentration of the adsorbate in the adsorption process of colors in hydroxide double layered system CaAl-LDH-NO3. The LDH was synthesized by coprecipitation at pH variable and characterized by X-ray diffraction, infrared spectroscopy, electron microscopy scanning thermogravimetric analysis, zeta potential, surface area and pore volume. adsorption assays were performed as a function of contact time, pH0, dye concentration and temperature. Results showed that the pH affects the surface charge of the adsorbent and the degree of dissociation of the anionic dyes. Among the initial pHs (4 and 10) for sunset yellow and (6 and 10) to brilliant blue, as the pH0 increases, decreases the amount of dye removed. Langmuir equation was that more adequately described the equilibrium data, obtaining a maximum adsorption of 398.41 mg/g for sunset yellow and 108.23 mg/g for brilliant blue. In the process of photodegradation by direct photolysis using ultraviolet radiation, the efficiency of decolourisation percentages reached 98 % for the yellow dye twilight and 97 % to bright blue. The absorbance spectra for two samples of colorants showed a decrease of characteristic absorption bands of these materials throughout the irradiation time. The photodegradation was also performed on solid after adsorption, the visually observable discoloration of the material and confirming the degradation process by XRD. Adsorption, and photodegradation were effective also in the treatment of synthetic effluent (mixture the dyes sunset yellow and brilliant blue), presenting virtually the same kinetics observed for removing discoloration of dyes individually.Item Água em condição supercrítica: uma tecnologia versátil para o tratamento de efluentes industriais e produção de hidrogênio(Universidade Federal de Goiás, 2021-03-26) Ribeiro, Thiago Soares Silva; Oliveira, Sérgio Botelho de; http://lattes.cnpq.br/3447406257464639; Alonso, Christian; http://lattes.cnpq.br/7285754665946583; Oliveira, Sérgio Botelho de; Aranda , Donato Alexandre Gomes; Cardozo Filho, Lúcio; Antoniosi Filho, Nelson Roberto; Oliveira, Guilherme Roberto deIndustrial processes bring with them an important concern: the correct management of waste generated, whether solid, liquid or gaseous. Among the various types of industrial wastewater, those generated in pharmaceutical industries that produce hormonal drugs or in biodiesel producing plants stand out for their polluting potential and high organic load, respectively. Therefore, it is essential to perform the appropriate treatment of these industrial wastewater, which does not occur in many of the conventional processes used in wastewater treatment stations (WTS). In this scenario that the objective of this work was to treat samples of hormonal (synthetic (EHS) and industrial (EHI)) wastewater, in addition to samples of wastewater from a biodiesel producing plant (EPB) using the process with supercritical water (SCWP), in a continuous flow reactor in the absence of catalysts, aiming at the degradation of contaminants and obtaining hydrogen gas, syngas and other fuel gases. The use of samples with such a different chemical composition is justified by the intention to evaluate the versatility of the wastewater treatment via SCWP for both environmental and energy purposes. The liquid phase was characterized by the determination of physical-chemical parameters such as total organic carbon (TOC), Chemical Oxygen Demand (COD), Biochemical Oxygen Demand (BOD), Oils and Greases (OG), pH, nitrogen compounds, metals, among others, in addition to high performance liquid chromatography (HPLC), for EHS samples, mass spectrometry (EM), and phytotoxicity tests with cucumber seeds (Cucumis sativus). The gas phase was characterized by gas chromatography (GC). Regarding the reduction of TOC, it was possible to reduce between 80% and 90% of TOC in the EHS samples for most of the feed flow rate conditions evaluated at 700 °C and for the EHI samples the maximum value of 89 was obtained, 6% reduction in TOC at the highest temperature evaluated. In EPB samples, the maximum TOC reduction value reached was 98.8%. The other physical-chemical parameters analyzed point to the same trend: the higher the temperature and the spatial time, the greater the efficiency of the process in relation to the reduction of physical-chemical parameters. The phytotoxicity tests against cucumber seeds, indicate a significant reduction in the toxic effect of the chemical compounds present in the initial samples, in treatments from 600 °C. The results of mass spectrometry point to the predominance of esters and fatty acids in both samples analyzed. The characterization of the gases showed that the production of hydrogen gas stands out among the other gases, and the amount produced in the treatment of EPB samples (885.9 NmL(H2)/mL (powered EPB)) indicates several possibilities of using this gas in industrial processes such as Ammonia Production, Production of new compounds via Fischer-Tropsch process, Fuel cells, Burning as fuel, Hydrotreated vegetable oil (HVO) manufacturing processes, Power-to-X technologies (PtX). In view of the results, it is possible to infer that the treatment of organic contaminants via SCWP is quite promising for both energy and environmental purposes.Item Alcaloides de Psychotria capitata Ruiz & Pav. (Rubiaceae): determinação estrutural e atividade biológica(Universidade Federal de Goiás, 2014-10-09) Wakui, Vinícius Galvão; Oliveira, Cecilia Maria Alves de; Kato, Lucilia; http://lattes.cnpq.br/1362891438631386; Kato, Lucilia; Oliveira, Cecilia Maria Alves de; Severino, Richele Priscila; Santos, Suzana da CostaRegarding that Psychotria species are described as sources of alkaloids, mainly β-carboline type with potential biological activity, this work focused on the phytochemical study of Psychotria capitata Ruiz & Pav. (Rubiaceae) leaves with widely occurrence on Cerrado Biome. The study of this specie led to the isolation and structural elucidation of the alkaloids: bufotenine and bufotenine-N-oxide and coumarin iso-scopelletin. These alkaloids were found mostly in all studied fractions. Furthermore, two alkaloids were identified in misture: 6-hydroxide-2-methyl-1,2,3,4-tetrahydro-β- carboline and 7-carboxyl-2-methyl-dihydro-β-carbolinium. Last one is novel alkaloid which however still in structural elucidation. Additionally, considering the great bioactive potential of indol alkaloids, particularly those found in Psychotria species regarding to central nervous system biological activity, we have submitted fractions and isolated compounds of P. capitata to in vitro evaluation with monoamineoxidases MAO-A and MAO-B as bio targets. These biological essays was realized in collaboration with research group of FF/UFRGS that develops studies searching for enzymatic inhibitors involved in neurodegenerative disease such as Parkinson´s disease and Alzheimer. Thus, search of compounds that interact with cholinesterase (AChE and BCHE) and monoamineoxidases (MAO-A and MAO-B) enzymes are important to the comprehension of neurochemical bases of these diseases. The alkaloidal fractions of P. capitata (10 mg/mL) showed inhibition rates between 60 and 89 %, which demonstrate the potential of these fractions. Bufotenine showed selective inhibiton (89 μM) to MAO-A, while bufotenine-Noxide didn´t showed inhibition to none of the enzymes. Therefore, this work contributes to the study of the species of Rubiaceae family, confirming the great potential of this family as source of indol alkaloids with a β- carboline nucleous, which show biological activity of great interest.Item Alcaloides indólicos das partes aéreas de psychotria sp.(rubiaceae) e síntese de tiohidantoínas e tioureias derivadas de aminoácidos e do r-(+)-limoneno(Universidade Federal de Goiás, 2013-05-03) Moraes, Aline Pereira; Oliveira , Cecília Maria Alves de; http://lattes.cnpq.br/3152041311943092; Oliveira, Cecília Maria Alves de; Fátima, Angelo de; Queiroz Jùnior, Luiz Henrique KengThe use of natural products and their synthetic derivatives has been a relevant strategy in the development of novel medicines. Phytochemical studies and synthesis of natural-product-based libraries are primordial in the search for therapeutic agents. Previous phytochemical studies of genus Psychotria (Rubiaceae) have resulted in the identification of polypyrrolidine indole and monoterpenoid indole alkaloids, which present a broad range of biological activities, such as antifungal and inhibition of monoamine oxidases (MAOs) A e B, that are related to neurodegenerative diseases. This study aims to evaluate the phytochemical composition of the aerial parts of Psychotria sp. collected in Brazilian Cerrado. Fractionation of the crude extract by column chromatography on silica gel and Sephadex led to isolation of three known indole alkaloids: bahienoside A, desoxycordifoline and desoxycordifolinic acid. Additionally, thiohydantoins and thioureas were synthesized from amino acids and R- (+)-limonene, in order to assess the cooperative effect of indole nucleus combined with terpene, thiourea and thiohydantoin units. Preliminary tests showed that desoxycordifoline, hydantoin (20) and thiohydantoin necrostatin-1 (14) inhibit the enzyme MAO-A higher than 80% at concentrations of 175 mM, 100 mM, 386 mM, respectively. Also, the polar extracts of the leaves of Psychotria sp. showed antioxidant activity with IC50 < 50 mg.mL-1 measured by DPPH free radical scavenging assay.Item Amplificação isotérmica de DNA mediada por loop (LAMP) em microchip de poliéster-toner(Universidade Federal de Goiás, 2016-10-07) Oliveira, Kezia Gomes de; Bailão, Alexandre Melo; http://lattes.cnpq.br/5415221996976886; Duarte, Gabriela Rodrigues Mendes; http://lattes.cnpq.br/9005971441891787; Duarte, Gabriela Rodrigues Mendes; Carrilho, Emanuel; Coltro, Wendell Karlos Tomazelli; Bailão, Alexandre MeloThe several advantages of miniaturization of DNA amplification and coupling with sample preparation and detection steps on the same chip are well known. Currently, most miniaturized systems for nucleic acids analysis are based on polymerase chain reaction (PCR). PCR amplification requires precise temperature control, switching between heating and cooling solution in three specific temperatures. Therefore, the adaptation of PCR for microchip is relatively complex and presents some limitations particularly for use in remote locations. Without the need for heating cycles, isothermal microsystems for DNA amplification can be designed to be simple and low energy consumption and hence can overlap the portable PCR detection systems. The loop-mediated isothermal amplification (LAMP) is a novel technique which has emerged as a simple and fast tool for DNA amplification which can be used for the detection and identification of several pathogens. The LAMP using Bst DNA polymerase enzyme which is an enzyme having strand displacement activity and uses a set of four primers designed from six individual segments of the sequence to be amplified. In this study, we developed a simple and rapid LAMP reaction for the E. coli malB gene amplification in the reaction was thermally controlled with a thermoblock for 60 minutes at 66 ° C. The PeT microdevices demonstrated compatibility with all reagents used in the LAMP and the success of the isothermal amplification was observed by agarose gel electrophoresis, yielding detectable amount amplicons as few as starting with 1 copy of DNA. Moreover, the success of the nucleic acid amplification reaction was evaluated by visual detection of the amplicons in the microchip by the use of fluorescent DNA intercalators, which yielded fluorescence in positive reactions. The LAMP in PeT microdevice is a simple and inexpensive method, that allowed a rapid detection (62 minutes) of E. coli. Because of simple operation and without the need for sophisticated instrumentation, LAMP held in microchip PeT has proven to be a valuable tool for molecular diagnostics, with great potential for applications in point-of-care.Item Análise da segregação axial e radial em um leito de jorro cônico(Universidade Federal de Goiás, 2020-02-17) Morais, Jéssika Nayara Santos; Santos, Dyrney Araújo dos; http://lattes.cnpq.br/8987869956010169; Duarte, Claudio Roberto; Freitas, Fernanda FerreiraThe particle cyclic and orderly movement inside a spouted bed has as main advantages of this technique, thus enabling an effective particle-particle and fluid-particle contact, which results in high transfer rates of heat, mass and movement. Due to their intrinsic characteristics, spouted beds have been widely used in industrial processes, however, there are some disadvantages operation inherent, the most complex of which are related to the segregation phenomenon, which occurs due to the multicomponent mixtures use in production lines, causing a non-uniform product formation, which compromises the equipment performance. In this way, a better understanding of the segregation phenomenon inside a spouted bed, is of fundamental importance for its design, operation and optimization. In the present work, a non-intrusive methodology using a solidification-slicing approach was used for the investigation of radial and axial segregation behavior in a spouted bed. The effects of diameter, density, and shape of the particles, as well as the initial particle loading, and the inlet air velocity, on segregation were qualitatively and quantitatively assessed. Regarding the results, binary mixtures with aspect, diameter and density ratios, equals a 2.0, 2.0, and 1.9, respectively, show a random mixture condition. Binary mixtures with diameter ratio of 4.5 and density ratio of 5.8, show radial and axial segregation. As regards to radial segregation, the higher or denser particles, tended to form a central core at the spout region, and the smaller or lighter particles, flowed to the annular region near the spouted bed wall. The particle dynamics seemed not to be significantly affected by changing the particle initial loadings in systems with aspect ratio of 2.0 and density ratio of 5.8, however, affected systems with diameter ratio of 4.5. As expected, the increase in diameter and density ratios caused an increase in radial and axial segregation. The segregation phenomenon for binary mixtures with high density ratio, were shown to be dependent of the initial particle loading configuration, but independent of the superficial gas velocity.Item Análise de íons inorgânicos em resíduos de explosão utilizando microssistemas eletroforéticos(Universidade Federal de Goiás, 2018-08-01) Pinheiro, Kemilly Mara Pires; Coltro, Wendell Karlos Tomazelli; http://lattes.cnpq.br/8302650734477213; Coltro, Wendell Karlos Tomazelli; Rosseto, Renato; lonashiro, Elias YukiThis study describes the development of an analytical methodology based on the use of microchip electrophoresis (MSE) devices integrated with capacitively coupled contactless conductivity detection (C4D) for the separation and detection of inorganic anions in post-blast explosive residues. The best separation condition was achieved using a running buffer composed of 35 mmol L-1 lactic acid, 10 mmol L-1 histidine and 0.070 mmol L-1 cetyl(trimethyl ammonium) bromide. For C4D measurements, the highest sensitivity was obtained applying a 700 kHz sinusoidal wave with excitation voltage of 20 Vpp. The separation of Cl-, NO3-, NO2-, SO42-, ClO4- and ClO3- was performed within ca. 150 s with baseline resolution and efficiencies between 4.4x104 and 1.7x105 plates/m. The found limits of detection ranged between 2.5 and 9.5 μmol L-1. Also, excellent repeatability was obtained, with relative standard deviation lower than 0.8%, 8.8% and 13.5% for the injection time, for the intensity and the peak areas, respectively. Lastly, real samples of post-blast explosive residues were analyzed on the MSE-C4D devices obtaining successfully the determination of Cl-, NO3- and SO42-. The achieved concentration values varied between 2301,610 µg g-1 for Cl-, 805,490 µg g-1 for NO3- and 1453,270 µg g-1 for SO42-. It was also possible to compare the anionic profile of residues of an improved explosive device and a commercial explosive emulsion, confirming the improved explosive device composition, based on ammonium nitrate fuel oil (ANFO). The approach reported herein has provided short analysis time, instrumental simplicity, good analytical performance and low cost. Furthermore, the MSE-C4D devices emerge as a powerful and portable analytical platform for on-site analysis demonstrating to be a promising tool for the crime scene investigation.Item Análise de síntons intermoleculares de bases N-heterocíclicas e suas correlações com propriedades óticas(Universidade Federal de Goiás, 2021-12-17) Valdo, Ana Karoline Silva Mendanha; Martins, Felipe Terra; http://lattes.cnpq.br/0466799995060671; Martins, Felipe Terra; Guimarães, Freddy Fernandes; Nakahata, Douglas Hideki; Santana, Ricardo Costa de; Araujo Neto, João Honorato deOne of the aims of crystal engineering is the analysis of synthons. The understanding of synthons formation allows modifying them to obtain chemical and physical properties of interest. Among those properties, structure dependents, are optical and electronic properties. The second harmonic generation (SHG) is one example of nonlinear optics phenomena and has a great potential aaplication. In this area, several organic compounds, such as nitrogenous aromatic ones, show SHG. Although robust synthons exist, their modification is delicate, since various parameters induce their formation. Moreover, the SHG has a requirement of inversion center absence in the structure. In this context, guiding structure to specific symmetries are still a crystallographic hard task. In this work the synthons of monoprotonated nitrogenous aromatic compounds salts were analyzed. The salts were synthesized throughout the reaction of nitrogenous compounds (dissolved in isopropanol) with organic and inorganic acids. The used compounds belong to the classes of pyrimidines and pyrazines. After the synthesis, the acidified solutions were submitted to crystallization using the slow evaporation technique. The single crystals had their X-Ray Diffraction data collected. Yet, reflectance diffuse spectroscopy data were collected for some samples. Further, calculations of electronic structure to obtain geometric optimization and spectra absorption data were performed. These calculations were done with density functional theory (and time-dependent density functional theory), with the functional M06-2X or B3LYP and the base 6-31G** or Def2-TZV. In this study fifteen unpublished structures were obtained, among which only one was solved in a noncentrosymmetic space group. The analyses of synthons in all structures revealed two tendencies. The first was observed for the structures obtained from 2-aminopyrazine. In those structures, the protonation of 2-aminopyrazine nitrogen (from aromatic ring) not depended on exclusively of 𝑝𝑘𝑎 from compounds, but also has relation with the final synthons. Accordingly, it was possible to noted that not only a chemical propriety dictates the protonation in the formation of a crystalline medium. Beyond that, the energy of finals intra and intermolecular interactions were essential to understand this result. The other tendency was verified for the compound derived of 2-aminopyrazine substituted by halogen atoms in the aromatic ring, in which, the synthons for the aromatic compounds with or without halogen atoms were the same. Thus, it was observed that a structural modification as an insertion of a halogen atom did not alter the interactions pattern in aromatic compounds. Regarding the physical properties, the direct band gap value for some nitrogenous compound was determined experimentally. Finally, we related the approximationof theoretical and experimental data on electronic transition with the energy of synthons or interactions for a set of atoms present in the structures. For some data, we observed that the greater the stability of the interactions involved, the closer were the theoretical data to the experimental one for the electronic transitions. However, this did not extend to all datasets analyzed in this work.Item Análise Ecotoxicológica e Química da Estação de Tratamento de Efluentes de uma Indústria de Laticínios em Goiás(Universidade Federal de Goiás, 2011-08-26) Machado, Victor Vinicius Batista; Tavares, Maria Gizelda de Oliveira; http://lattes.cnpq.br/0066533047918329; Leles, Maria Inês Goncalves; http://lattes.cnpq.br/1614912440064013; Coltro, Wendell Karlos Tomazelli Coltro; http://lattes.cnpq.br/8302650734477213; Brait, Carlos Henrique Hoff; http://lattes.cnpq.br/8443681172569310The dairy industries represent one of the most important sectors for the economy of Goiás. The intense industrialization, together with the lack of specialized labor, means that these industries generally produce without any concern for the waste generated. Besides solid waste, these industries generate effluents with high levels of pollution that can affect the water and soil quality, in water bodies into which they flow. Faced with this scenario, the need arose to carry out a study of the risks inherent to this type of effluent, both from a physical-chemical and ecotoxicological point of view. For this purpose, acute toxicity studies were carried out with the Zebrafish (Danio rerio), to evaluate the toxicity of the effluents in pre-defined points of the Wastewater Treatment Plant (WTP) analyzed (points A, D and F). To evaluate the efficiency of the WTP, some physical-chemical parameters were measured (pH, conductivity, cloudiness, BOD, COD, TS, OG among others), and a chemical analysis was carried out of the metals Zn, Cd, Cu and Pb. To determine the solid residues in the effluent, thermogravimetric analyses were performed. Through mathematical models, the efficiency of the WTP was evaluated in terms of the parameters measured, which throughout the treatment process, proved inefficient, presenting mainly negative values. The tests of acute toxicity carried out with the test organisms in contact with the effluent from the dairy effluent, collected in various points of the plant, enabled the LC50 to be calculated, which indicated a moderate to high toxicity of the effluents analyzed.Item Análise multiparamétrica da qualidade dos frutos, mostos e vinhos de jabuticaba(Universidade Federal de Goiás, 2012-06-28) FORTES, Gilmara Aparecida Corrêa; SANTOS, Suzana da Costa; http://lattes.cnpq.br/7811945085200334Chemical parameters were monitored during the jabuticaba s development, fermentation and ageing of its wine, by quantitative 1H NMR, spectrophotometric assays and standard methods of analysis. Data collected were analysed by variance (ANOVA), principal components (PCA), hierarchical cluster (HCA) and canonical correlation analyses (CCA). Jabuticaba s development was analysed in order to identify the optimal harvest period for winemaking. Total acidity decreased 70.5%, whereas reducing sugars increased about threefold in pulps up until the full ripe stage. Anthocyanin levels underwent a sharp increase in the skins reaching 22.0 mg/g at complete maturation. Tannins and total phenols showed no significant differences in their levels between ripe and full ripe stages. The PCA and HCA distinguished two sample groups, the first comprised of samples from the first four days of fermentation characterized by high levels of fructose, glucose, anthocianins and colour intensity (19.90 g/kg; 36.95 g/kg; 177.88 mg/L and 8.6). The second cluster consisted of samples from days 5 to 14 with higher levels of ethanol, glycerol, methanol, acetic acid (75.02; 3.13; 0.19 and 0.99 g/kg), hue and pH (1.25 and 3.49). The canonical correlation analysis confirmed the influence of alcohols (ethanol, methanol and glycerol), organic acids (citric, succinic and acetic acids), pH and titratable acidity on the extraction and stability of anthocyanins and copigments. Three clusters were identified by the multivariate statistical analysis of red wine samples from 2001 to 2010. Cluster I, wines from 2001, 2002, 2003 and 2006, was characterized by chemical age 1 and 3, hue (1.02; 0.89; 1.83), acetaldehyde and alcohols (0.04 and 0.24 g/L). The wines from 2005, 2007 and 2008 formed the second cluster and presented the lowest content of superior alcohols (0.14 g/L). The third cluster was comprised by wines from 2009 and 2010, which contained higher levels of methanol, acetic and latic acids (0.12; 1.24; 0.35 g/L), and the highest pH (3.96). The canonical correlation analysis revealed that chemical age 1, 2 and 3 correlate negatively with anthocyanins, pH and titratable acidity, confirming the importance of pH and acidity in the anthocyanins stability and polimerization.Item Análise Químico-Morfológica de Hyptis Jacq. e Hypenia (Mart. ex Benth.) R. Harley (Lamiaceae)(Universidade Federal de Goiás, 2012-04-13) SILVA, Julierme Gonçalves da; FERRI, Pedro Henrique; http://lattes.cnpq.br/2129799749473005Cerrado is the second largest Brazilian biome, occupying about 24% of the country. However, there are only 61% of preserved Cerrado areas. Therefore, studies are needed in order to preserve these natural resources. For this purpose the reassessment of systematic relationships between 88 taxa of Hyptis Jacq. were based on the vegetative and reproductive morphological characters (chapter 1). In order to perform a phenetic study, multivariate statistical analysis were used for determination of taxa distribution patterns. The relationships between the examined taxa have been expressed as Ward hierarchical clustering using multiple correspondence analysis of 50 characters distributed into 168 character states. The perceptual map shows a subdivision of Hyptis into two major clusters. Cluster I contained 41 taxa belonging to sections Cyanocephalus, Cyrta, Gymneia, Mesosphaeria, Polydesmia and Tricosphaeria which mainly showed elongated, elliptic, linear bracts, curvature of the calyx's tube upper limb, oblique calyx tube orifice, as well as smooth nutlets. Cluster II contained 47 taxa from sections Apodotes, Eriosphaeria, Hyptis, Induratae, Pachyphyllae, Pusilae and Xylodontes. Their main morphological characteristics included hemispheric or subglobose cymes, the presence of a stylopodium, slightly rough nutlets and nutlets truncate at apex. Cluster analysis focused on 6 of the morphological characters which were distinguished by discriminant correspondence analysis, revealed similar traits. Multivariate analyses were also applied in the essential oil chemovariations of 13 Hypenia species (chapter 2). The results revealed the presence of two taxonomic clusters. Cluster I included 3 species belonging to section Densiflorae in addition to H. subrosea Harley and H. aristulata (Epl.) R. Harley, and showed the highest percentages of α-muurolol (5.85 ± 3.08%). In Cluster II, which contained 8 species belonging to section Laxiflorae, the major discriminant constituents were (E)-caryophyllene (7.09 ± 4.88%), germacrene D (18.1 ± 11.4%) and bicyclogermacrene (6.65 ± 1.19%). All essential oils showed a predominance of sesquiterpenes, such as spathulenol (4.5-31.6%), caryophyllene oxide (2.2-14.4%) and selin-11-en-4α-ol (0-34.8%). Furthermore, identical clusters were revealed by multivariate analysis of chemical constituents based on carbon skeletons, as well as on 18 morphological leaf characters of the species studied.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 Análise termodinâmica da reforma com vapor de água de um composto modelo de bio-óleo para produção de hidrogênio(Universidade Federal de Goiás, 2018-09-28) Trevisan, Ivo Junior; Alonso, Cristian Gonçalves; http://buscatextual.cnpq.br/buscatextual/visualizacv.do?metodo=apresentar&id=K4777466U2; Souza, Thiago Leandro de; http://buscatextual.cnpq.br/buscatextual/visualizacv.do?metodo=apresentar&id=K4250090T1; Souza, Thiago Leandro de; Alonso , Cristian Gonçalves; Cardozo Filho, Lucio; Oliveira, Sérgio Botelho de; Ostroski , Índianara ConceiçãoIn this work, a thermodynamic analysis of the water vapor reforming reaction of a bio-oil model compound was performed and the objective is producing hydrogen through an alternative source of fossil fuels. The bio-oil model compound was considered to be a molar fraction of 1:1:1 mixture of phenol, acetic acid and hydroxyketone and the thermodynamic data were obtained in DIPPR® software version 1.2.0. The chemical and phase equilibrium were calculated by the Gibbs energy minimization method. Constant pressure of 1 bar, temperature ratio from 673.15K to 1273.15K and water and carbon ratio of the substrate (H2O(v)/C(ent)) of 0.01 to 3.00 were used to construct the optimization problem and the software GAMS® version 2.0.29.8 was used by optimization problem resolution. The gas phase was considered with behavior of ideal gas and the solid phase was considered with solid carbon. Hydrogen, water, carbon monoxide, carbon dioxide, solid carbon and methane formation data were collected after solving the optimization problem and the reaction heat and syngas production were also analyzed. The maximum hydrogen yield obtained was 1.3 moles in the 1100 K region with 1 mole water per carbon of the substrate (H2O(v)/C(ent)). It was also observed that the greater amount of syngas occurs in the 950 K region and 1,2 of the H2O(v)/C(ent) ratio. An exothermic region and an exothermic region were observed in the reaction heat analysis and in the exothermic region there is a higher incidence of coke and methane generation and in the endothermic region a higher incidence of hydrogen and carbon monoxide generation.Item Análise termodinâmica do processo de pirólise de microalga a partir do cálculo de equilíbrio químico e de fases simultâneo(Universidade Federal de Goiás, 2021-05-13) Viegas, Júnnio de Sousa; Souza, Thiago Leandro de; http://lattes.cnpq.br/7431199944070783; Souza, Thiago Leandro de; Silva, Simone Monteiro e; Corazza, Marcos LúcioIn a scenario where population growth is exponential, the supply of the energy matrix is finite, the processing and use of current sources are extremely harmful to the environment, a new name is pointed out as a sustainable energy source to supply all these issues: microalgae biomass. This is particularly interesting due to its high growth rate, high productivity, adaptability to different habitats, non-competitiveness with agriculture and the results of its processing can be used to produce biofuels, products of high added value of industrial interest, treatment and soil recovery. In addition, we may subject it to a decomposition process to obtain your products (bio-oil, gas and charcoal). In addition, it can be subjected to a decomposition process to obtain its products (bio-oil, gas and charcoal). In this study, a thermodynamic analysis of the pyrolysis of microalgae biomass was carried out, which consists of processing the biomass at high temperatures in the absence or low presence of oxygen. From this work, data were obtained that represent the behavior of the reaction system in chemical and phase equilibrium for different operating conditions, varying temperature and humidity, in which the conditions in which the required products are found in greater and/or less quantities. The method for calculating the chemical and phase simultaneous equilibrium explored was Gibbs minimization, under constant temperature and pressure conditions, by a non-stoichiometric approach. A mixture-model composed of palmitic acid, glucose and glutamic acid was considered to represent the biomass of microalgae. The possibility of forming a liquid phase, simulated by the UNIFAC thermodynamic model, was investigated, using the stochastic particle swarm optimization method, in which the possibility of forming 3 distinct phases was considered, one phase behaving as a mixture of ideal gases, a liquid phase and another solid phase modeled as pure solid carbon. The minimization model was also implemented in the GAMS® software, General Algebraic Modeling System, using the CONOPT non-linear programming solver, in which only formation of solid and gaseous products was considered. The studied pyrolysis reaction was predominantly exothermic, with heat of reaction varying from approximately -32 to -16 kJ/mol. For the studied conditions, there was no prediction of liquid phase in the reaction system. Gaseous products such as H2 and CO2 showed maximum yield, 0.246 and 0.415 mol per mol of carbon fed respectively, both under maximum operating conditions for humidity and temperature, under the same conditions there was a greater potential for thermal energy generation, evaluated by the total heating value.Item Aplicação de métodos quimiométricos em estudos de bioequivalência do antibiótico amoxicilina(Universidade Federal de Goiás, 2008-02-28) Ramos, Douglas Rodrigues; Souza, Paulo Sérgio de; http://lattes.cnpq.br/0834231763464061; Souza, Paulo Sérgio de; Garrote, Clévia Ferreira Duarte; Coelho, Clarimar JoséThe generic medicines have brought to the national population a higher possibility to access the treatment with medication, the competition stimulation and the medicine exchange insertion, in which the reference formulation can be substituted by the generic medicine, without any harm to the treatment. ANVISA (National Agency of Sanitary Surveillance) regulates this national market, demanding the bioequivalence confirmation between test and reference medicines. Therefore, in a period of six years, those studies have been performed and several generic medicines have been liberated to commercialization. However, the exchange confirmation among the several generic and reference medication are still difficult to observe due to the complexity of the values obtained. The chemometrics analysis decreases the sample space of the complex data which allows samples similarity observation as well as their classification in distinct groups. For that, Principal Components Analysis (PCA) and the Hierarchical Cluster Analysis (HCA) have been used. With these techniques an n-dimension space statistics have been evaluated for a bi-dimension of six amoxicillin bioequivalence studies as capsules and suspensions and therefore, classified them in groups in accordance with the similarity of the formulations pharmacokinetic profiles, which has allowed the medicine exchange observation. The chemometrics applications in pharmacokinetic data differentiated the pharmaceuticals forms capsule and suspensions, of absorption and elimination parameters allowing the exchange avaliations of formulations showing been useful in research laboratories or by regulatories agency for the quality monitoring of the medicine.Item Aplicação de métodos quimiométricos para a classificação de águas minerais comercializadas em Goiânia-GO(Universidade Federal de Goiás, 2010-08-27) BORGES FILHO, Dorivan; SOUZA, Paulo Sérgio de; http://lattes.cnpq.br/0834231763464061