TEDE Communidade:http://localhost:8080/tede/handle/tede/232024-01-20T20:02:07Z2024-01-20T20:02:07ZIdentificação de compostos bioativos nos extratos etanólico das raízes e folhas da Cecropia pachystachya Tréc. e estudos in silico preADMET e docagem molecular com as enzimas 5-LOX e α-1-antitripsinaMourão, Penina Sousahttp://localhost:8080/tede/handle/tede/4062023-07-18T12:53:08Z2022-08-26T00:00:00ZTítulo: Identificação de compostos bioativos nos extratos etanólico das raízes e folhas da Cecropia pachystachya Tréc. e estudos in silico preADMET e docagem molecular com as enzimas 5-LOX e α-1-antitripsina
Autor: Mourão, Penina Sousa
Primeiro orientador: Uchôa, Valdiléia Teixeira
Abstract: The medicinal plants are widely studied because their phytochemical compounds have a therapeutic potential for the treatment of various diseases. “ embaúba”, belongs to the Cecropiaceae family, and is used by the native population in the treatment of bronchitis, asthma, high blood pressure, fever, and as a diuretic. Its pharmacological actions such as anti-inflammatory, antioxidant, cardiotonic effect, sedative and others have been scientifically proven. Thus, the objective of this work is to identify bioactive compounds from ethanolic extracts of the roots and leaves of C. pachystachya (ERCP and EFCP), as well as to verify the affinity of these metabolites with the enzymes 5-Lipoxygenase (5-LOX) and α-1-antitrypsin through in silico tests. Isolation of the compounds from ERCP was performed by classical chromatography and identification was carried out using GC-MS, HPLC, Infrared (IR) and Nuclear Magnetic Resonance (NMR) techniques. After the identification and/or isolation of the bactive compounds, they were subjected to the in silico study that proceeded in performing PreADMET simulations and molecular docking calculations. The bioactive compounds identified were: L - (+) - ascorbic acid 2,6-dihexadecanoate, ethyl hexadecanoate, ethyl (9E,12E)-octadec-9,12-dienoate, ethyl (Z)-octadec-9-enoate, ethyl octadecanoate, phytol, linoleic acid and tridec-2-inyl 2,2-dichloroacetate by GC-MS; chlorogenic acid, catechin, epicatechin, syringaldehyde, coumaric acid by CLAE; β-sitosterol, sitostenone, beccaridiol, tormentic acid, lupeol, α- and β-amyrin by classical chromatography, IR, 1H and 13C NMR techniques. ADMET properties were determined for each bioactive compound. Beccaridiol showed better affinity for the 5-LOX enzyme and sitostenone showed better affinity for the α-1-antitrypsin enzyme. Thus, we have that the C. pachystachya studied presents a diverse range of secondary metabolites, and these showed relevant interactions with the enzymes 5-LOX and α-1-antitrypsin. Thus, we emphasize that the embaúba can be employed in in vivo experimental studies as a form of alternative treatment for chronic pulmonary diseases.
Instituição: Universidade Estadual do Piauí
Tipo do documento: Dissertação2022-08-26T00:00:00ZA gamificação como estratégia metodológica para o ensino de química na forma de trilhas de aprendizagemVieira, Thalita Brenda dos Santoshttp://localhost:8080/tede/handle/tede/4052023-06-14T15:02:35Z2023-01-13T00:00:00ZTítulo: A gamificação como estratégia metodológica para o ensino de química na forma de trilhas de aprendizagem
Autor: Vieira, Thalita Brenda dos Santos
Primeiro orientador: Luz, Roberto Alves de Sousa
Abstract: It is a consensus in the technical-scientific literature that the inclusion of innovative tools with the use of Digital Information and Communication Technologies (DICTs), associated with gamification strategies have proven to be alternatives to make Chemistry teaching more dynamic and attractive.In this sense, this work developed a gamified system formed by learning trails with Chemistry contents of the 1st grade of regular High School and was applied with high school students from public schools in order to evaluate its potential for improving the learning process. The methodology adopted consisted of building a gamified system called “The Nucleus: the mystical city of knowledge”, which took place through learning trails organized in phases and levels, considering the degree of difficulty of the contents. For the construction of the system, the Google Forms tool was use, in which the contents were approache considering David Ausubel's Theory of Meaningful Learning and in a personalized way, so that the students could advance in the tracks according to their learning pace. Students were satisfied with the proposal presented and, despite demonstrating difficulty in handling the system, 81.4% marked good or great when asked about their interest and engagement in overcoming the challenges and completing the activity. It was also possible to contribute to the students' knowledge to obtain a meaningful learning of Chemistry such as in the content simple and compound substances that, according to the analysis of the graphs presented difficulty in their concept, which was minimized along the trails. In this way, it is believed that the use of gamification strategies, such as the one presented in this work, can significantly contribute to facilitate the learning of Chemistry in virtual teaching and learning environments, increasing the classes or even in extra hours, facilitating its acceptance by students and teachers.
Instituição: Universidade Estadual do Piauí
Tipo do documento: Dissertação2023-01-13T00:00:00ZInfluência da temperatura de tratamento térmico nas propriedades estruturais e ópticas de cristais de NiWO4Sales, Ana Gabriele da Costahttp://localhost:8080/tede/handle/tede/4042023-06-14T14:50:17Z2022-02-14T00:00:00ZTítulo: Influência da temperatura de tratamento térmico nas propriedades estruturais e ópticas de cristais de NiWO4
Autor: Sales, Ana Gabriele da Costa
Primeiro orientador: Luz Júnior, Geraldo Eduardo da
Abstract: In this work, we investigated the effect of heat treatment on the structural and optical behavior of NiWO4 crystals synthesized by coprecipitation followed by the hydrothermal method, with post-treatment at different temperatures. XRD patterns, Rietveld refinement and Raman spectra indicate that NiWO4 crystals have a wolframite-like monoclinic structure with a space group (P2/c) and a point symmetry group (C2h4). A preferential growth in the (011) planes was observed at 500 °C, confirmed by XRD, theoretical and documented, thus, crimped on the y-axis of partialst (W) tung event sequences for modeling unit cells/crystals10 in this temperature range in TGA and DSC. In Raman spectroscopy, the NiWO4 spectrum gradually changed in the spectra from its nanometer character and became a bulk material. The Egap values showed a tendency of temperature reduction with increasing heat treatment up to 500 °C (2.75 eV), increasing from there. Such alterations being confirmed in the colorimetric analysis, where from the temperature of 500 °C/2h the material acquired the yellow color and it becomes intended.
Instituição: Universidade Estadual do Piauí
Tipo do documento: Dissertação2022-02-14T00:00:00ZAnálise da citogenotoxicidade e identificação de compostos bioativos presentes no óleo essencial das folhas de Croton heliotropiifolius KunthLopes, Katianne Soareshttp://localhost:8080/tede/handle/tede/4032023-06-14T14:33:15Z2022-07-20T00:00:00ZTítulo: Análise da citogenotoxicidade e identificação de compostos bioativos presentes no óleo essencial das folhas de Croton heliotropiifolius Kunth
Autor: Lopes, Katianne Soares
Primeiro orientador: Maia Filho, Antônio Luiz Martins
Abstract: Croton heliotropiifolius Kunth, popularly known as “quince” and “velame”, has a high concentration of volatile oils in the leaves, and is widely used in folk medicine. The objectives of this work were to identify the phytochemical compounds and analyze the cytogenotoxicity of the essential oil from the leaves of C. heliotropiifolius Kunth. The oil was extracted by hydrodistillation and the phytochemical profile was detected by gas chromatography and mass spectrometry. In the toxicogenetics analysis, Allium cepa roots were exposed to 1% Dimethylsulfoxide and Methylmethanesulfonate (MMS, 10μg/mL), negative and positive controls, respectively, and to C. heliotropiifolius oil at six concentrations (0.32; 1.6; 8; 40; 200 and 1000 mg/L). The phytochemical profile showed 40 chromatographic bands, and 33 compounds were identified. α-pinene (16.70%) and 1,8-cineole (13.81%) were identified as the majority. Some of these identified secondary metabolites have biological and pharmacological activities already studied as antiseptic, insecticide, viricidal, fungicidal, analgesic, sedative, and anti-inflammatory, among others. In the A. cepa test, oil cytotoxicity was observed at concentrations of 0.32; 1.6, and 200 mg/L and genotoxicity at 200 and 1000 mg/L with micronuclei and significant chromosomal losses. Based on the results presented here, it can be concluded that the essential oil of C. heliotropiifolius leaves has monoterpene hydrocarbons, and oxygenated monoterpenes, sesquiterpenes, and oxygenated sesquiterpenes, in addition to having a cytotoxic and genotoxic effect on A. cepa cells. It is noticed that the project contributes significantly to the experimental proof of the bioactive compounds present in the essential oil of the leaves of this plant. In addition to encouraging future research involving therapeutic and/or phytochemical use.
Instituição: Universidade Estadual do Piauí
Tipo do documento: Dissertação2022-07-20T00:00:00Z