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    Estudo de propriedades estruturais e espectroscópicas de nanotubos de carbono usando teoria do funcional da densidade
    (Universidade Federal de Goiás, 2024-02-02) Ferreira, Murilo Benedito Martins; Castro, Marcos Antônio de; Castro, Marcos Antônio de; Fonseca, Tertius Lima da; Georg, Herbert de Castro
    Nanotubes have intriguing properties and therefore have been the target of many investigations, both experimental and theoretical. This work will present a study on the structural and spectroscopic properties of carbon nanotubes. The goal is to investigate how geometric shapes, vibrational frequencies and other properties vary with the size and type of nanotube.
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    Foto-oxidação de proteínas por porfirinas hidrossolúveis
    (Universidade Federal de Goiás, 2024-01-29) Arantes, Ariane Gornates; Gonçalves, Pablo José; Gonçalves, Pablo José; Alonso, Antônio; Marquezin, Cássia Alessandra
    Photodynamic Therapy (PDT) is a growing therapy, indicated as an alternative to the treatment of microorganisms and various types of cancer. For its operation, three components are necessary: molecular oxygen, visible light and a photosensitizer (FS). Among the most used FS are porphyrins, which can be cationic or anionic depending on the peripheral charge of their structure. In systemic administration, FS travel through the bloodstream, making it possible to interact with body elements such as proteins, which can be photo-oxidized with controlled administration of light, losing their function, whether structurally or functionally, which can cause death. cell of target tissues. The present work analyzed the photo-oxidation of bovine serum albumin (BSA) by two cationic (TMPyP and ZnTMPyP) and two anionic (TPPS and ZnTPPS) water-soluble porphyrins. The effect of the presence of the metallic atom in the central ring of the porphyrin was analyzed; two types of irradiation sources (a halogen source and a laser module emitting at 532 mn); the effect of BSA on the production of singlet oxygen and, finally, the effect of adding constant photo-oxidation oxygen. Initially, a protocol was found that allowed the reproductive obtainment of photo-oxidation constants. Subsequently, it was observed that the photo-oxidation constant is greater for cationic porphyrins, due to their greater proximity to the fluorescent residue tryptophan, and increases with the presence of zinc, which, as it is a heavy atom, favors the process of intersystem crossing and production. of reactive species. It was also observed that the halogen lamp provides faster degradation than the laser, which may be associated with its greater spectral amplitude and could oxidize other albumin components. Furthermore, it was possible to conclude that BSA acts as an obstacle between FS and molecular oxygen, reducing the formation of singlet oxygen, which made it necessary to add oxygen gas to the solution to obtain a phosphorescence signal, which promotes a reduction in photo-oxidative rate. Our hypothesis is that rapid photo-oxidation at the beginning of the process can change the conformation of BSA, blocking oxygen access. The results obtained here are valuable for the study of protein photo-oxidation and can be extended to other biological structures targeted for studies on photodynamic action.
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    A utilização de esportes no ensino de física: análise de artigos publicados nos últimos 22 anos
    (Universidade Federal de Goiás, 2023-08-30) Lima, Vitória Ribeiro de Sousa; Ferrari, Paulo Celso; Ferrari, Paulo Celso; Cunha, Jefferson Adriany Ribeiro da; Santos, Aliny Tinoco
    Despite the undeniable importance of sports in quality of life, there are access difficulties in this field, especially for people in lower classes of society, and when comes to mind the educational field, is almost completely limited to physical education classes. On the other hand, physics teachers face difficulties while teaching the regular discipline at the same time that motivates students by putting the physics in context, even though the subject is considered hard and useless. Thus, this work describes a literature review research that seeks to understand how researchers combined the two areas: physics and sports. For that, 13 papers published in the last 22 years and available on Google Scholar were selected, resulting in three categories to analyze the papers: the writer’s reasons, objectives and methods, and the ways in which the chosen sports were used to put the physics in context. We see, then, how much concerned the scientists were when approaching the physics concepts to the student’s daily life as a way to attract them to the subject. Also, the more popular sports in the papers were soccer, running, swimming and long jump, that were mainly used in the teaching of kinematics and dynamics. It is possible to conclude through the analysis that the sports helps the physics teachers, as it puts the subject in context and makes the classes more innovative, even in schools with poor structure, what can put students away from physical activities.
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    As atividades experimentais no ensino de termologia e a teoria de Vigotski
    (Universidade Federal de Goiás, 2023-08-18) Ferreira, Manoel Giovane Mendes; Cunha, Jefferson Adriany Ribeiro da; Cunha, Jefferson Adriany Ribeiro da; Genovese, Luiz Gonzaga Roversi; Queiroz, José Rildo de Oliveira
    Main theme of this work is the authors' intention to present a didactic sequence involving three alternative experiments. We know that the low-cost experiment, understood in a general and, therefore, imprecise way, is a practical activity that possesses the following characteristics: ease in acquiring materials; the value associated with the objects used; the possibility of being carried out in various environments, and the quick assembly of these in the classroom. A relevant factor associated with low-cost experimentation is the possibility of synchronizing experimentation with theoretical knowledge using easily accessible materials, provided that the teacher chooses, for example, to offer their students practical activities that emphasize the qualitative description of phenomena, without the need for sophisticated laboratories, which are not available in most public and private high schools, setting achievable goals involving a minimum of specific materials. To achieve this, we are based on the socioconstructivist theories of the Russian thinker Lev Vygotski (2001), which enables the educator to lead the student, through social interaction, to the acquisition of new knowledge. Experimentation through socioconstructivist interaction facilitates the learning of abstract concepts such as those in thermology.
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    Processos termodinâmicos em um poço de potencial infinito
    (Universidade Federal de Goiás, 2023-08-21) Ramos Júnior, Alessandro; Cunha, Jefferson Adriany Ribeiro da; Cunha, Jefferson Adriany Ribeiro da; Almeida, Norton Gomes de; Marques, Ivo de Almeida
    Using classical thermodynamics concepts as a basis, the objective was to find expressions for pressure and temperature, based on a quantum system composed of a particle trapped in a one-dimensional potential well. Initially, a historical overview of thermal machines is presented, including their practical utility and how they have evolved over the centuries. Next, the issue is introduced, the system and its components are described, and the equation defining its energy state is presented. Using the derived equations, relationships were deduced that, for the infinite one-dimensional potential well, are analogous to the concepts of temperature and pressure. Subsequently, two thermal cycles are presented (the Carnot cycle and the Otto cycle), and the curves that form them are described based on the concepts established throughout the work. In conclusion, it can be stated that the obtained results were satisfactory, as they not only exhibit dimensional agreement with the initially proposed ideas but also expand the theory already well-founded in the literature [2] by introducing two expressions that serve as quantum analogs to concepts established for classical systems.
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    A study of the thermodynamic principles and implementations of the quantum Otto engine
    (Universidade Federal de Goiás, 2023-08-11) Costa, Rafael do Lago Souza; Céleri, Lucas Chibebe; Céleri, Lucas Chibebe; Pontes, Renato Borges; Carvalho, Vanuildo Silva de
    This monography provides a comprehensive overview of classical and quantum thermodynamics. The classical formulations of thermodynamics are discussed in detail, including concepts such as energy and equilibrium, ideal gases and internal energy. Study the first and second laws of thermodynamics and their applications to mechanical work, heat engines and thermodynamic cycles. The present work also covers some quantum thermodynamics principles, including the use of density operators to describe pure and mixed states of quantum systems and the time evolution of these operators. The first law of quantum thermodynamics is introduced, along with the concepts of quantum adiabatic evolution and quantum Otto cycles. In addition, this monography briefly discusses the concept of Maxwell’s demon in the context of quantum thermodynamics and its implications for the second law. Overall, this work provides a comprehensive introduction to the basic principles of classical and quantum thermodynamics.
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    LudEnsina: educação lúdica na formação inicial e continuada de professores
    (Universidade Federal de Goiás, 2023-08-18) Lima, Gabryela Martins; Queiroz, José Rildo de Oliveira; Queiroz, José Rildo de Oliveira; Genovese, Luiz Gonzaga Roversi; Cunha, Jefferson Adriany Ribeiro da
    The objective of this work is to report the trajectory and actions of the LudEnsina group between January 2021 and July 2023. The purpose of the group is to use games for science teaching and the initial and continuing training of teachers in ludic education. The activities proposed by LudEnsina range from game development to lectures, always focused on education. In conclusion, despite the fact that the group is relatively recent, it made great contributions to the discussions of ludic education in the participating institutions.
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    Dimensionamento sensorial para o desenvolvimento de um protótipo funcional modular para a análise de grãos
    (Universidade Federal de Goiás, 2023-08-25) Galvão, Gustavo Lourenço Silva; Abegão, Luís Miguel Gomes; Abegão, Luís Miguel Gomes; Santos, Marcus Carrião dos; Mello, Hugo José Nogueira Pedroza Dias
    This work discusses and reports load cells for evaluating the specific mass of grains based on their relative humidity to develop a future prototype device to be used in the field by the Brazilian Agricultural Research Corporation (EMBRAPA). The load cells investigated in this work were based on strain gauge (SG) and force sensitive resistor (FSR). The load cells’ analysis was made by theoretical and experimental approaches. A stress tensor component theoretical analysis was carried out through computational simulations using Finite Element Methods (FEM) via Autodesk FUSION 360 software. On the other hand, the experimental results were obtained by acquiring the voltage as a function of the National Institute of Standards and Technology (NIST) traceable reference masses. The experimental preliminary results acquired in this work show that a load cell based on SG is the most accurate way to measure the grain’s mass from 2-100 g. In fact, SG presented a linear behavior between voltage and mass in the mentioned mass range. Also, the theoretical results can be correlated with the experimental ones once a linear behavior was observed between the mechanical deformation and tension in the equivalent range of the experimental masses used. Moreover, the SG also has the lowest price of the investigated sensors. Therefore, this work shows that SG achieved the highest overall performance to be used in a future low-cost prototype device to quantify the specific mass of several grains in a straightforward but reliable way.
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    Estudo das propriedades de estados excitados de porfirinas: formação de estados tripletos e oxigênio singlete
    (Universidade Federal de Goiás, 2023-08-22) França, Andrew Gabriel Boaventura; Gonçalves, Pablo José; Gonçalves, Pablo José; Souza, Márcio Adriano Rodrigues; Marquezin, Cássia Alessandra
    Photophysics has been gaining more and more importance, both in the academic area and in the technological area. In particular, we highlight its importance in Photomedicine, where photophysical controls are fundamental to explain Photodynamic Therapy, a new therapeutic modality used for the treatment of microorganisms and even tumors. This therapy employs the use of a photosensitizing compound, which in its excited state after absorption of visible light, produces reactive oxygen species that can lead to cell death of specific targets. In this course conclusion work, a study of the dynamics of excited states of organic signals, the main characteristics of excited states of porphyrins and a brief review of the experimental techniques involved for the proper characterization of a photosensitizer compound were carried out.Experimentally, the efficiency of triplet state formation was obtained, analyzing the effects of the concentration of photosensitizers and the concentration of oxygens on the phosphorescence emission of singlet oxygen, one of the main reactive oxygen species involved in the photodynamic action. It was also verified the importance of adjusting the absorption of the sample under study to 0.2 and a time of 20 to 30 minutes of bubbling oxygen for saturation of the solution.
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    Hiperpolarizabilidades das moléculas Li-H3C4N2 · · ·Na2 e Li-H3C4N2 · · ·Ca: comparação entre resultados baseados em teoria do funcional da densidade e coupled cluster
    (Universidade Federal de Goiás, 2023-08-22) Costa, João Victor de Brito; Castro, Marcos Antônio de; Castro, Marcos Antônio de; Fonseca, Tertius Lima da; Osório, Francisco Aparecido Pinto
    Electrides and alkalides are materials with diffuse electrons, consequently presenting applications in several areas os physics. In this work, We present result in calculations of first and second hyperpolarizabilities of the lithium salt electride (Li-H3C4N2· · · Na2) and the calcium-doped lithium salt of pyridazine (Li-H3C4N2· · · Ca). The calculations intend to analyze wheter the density functional theory (DFT) returns good results, so we compared it to the CCSD method. The results obtained using DFT appear to be insufficient when it comes to calculate hyperpolarizabilities of molecules with diffuse electrons.
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    Influência da concentração de nanopartículas de ouro do tipo (AU)144(SRCOO1−)60 em solução: uma análise utilizando dinâmica molecular
    (Universidade Federal de Goiás, 2023-08-16) Bordoni, Giulia Picciola; Oliveira, Guilherme Colherinhas de; Oliveira, Guilherme Colherinhas de; Almeida, Agnaldo Rosa de; Andrade, Douglas Xavier de
    In this study, we investigated the behavior of interactions between functionalized gold nanoparticles (NPs), specifically of the (Au)144(SRCOO1-)60 type, and sodium ions Na{1+) in aqueous solution. These nanoparticles play a crucial role in research on necrosis and mitochondrial damage in several cell lines, and it is essential to understand their ability to insert and penetrate lipid membranes, and how this relates to their charge and surface composition (functionalization). The study was conducted utilizing classical molecular dynamics simulations (MD) in conjunction with developed analytical protocols to assess the impacts of increasing the quantity of nanoparticles in the solution, resulting in a subsequent rise in AuNP concentration. The objective was to investigate how this variation affects the energetic interaction between nanoparticles and ions, the distribution of hydrogen bonds (HBs) formed between nanoparticles and water molecules, the lifetime of these HBs interactions, as well as changes in the spatial arrangement and on the dynamics and mobility of nanoparticles in solution. By exploring these aspects, we seek to understand how increasing the concentration of AuNPs can impact the properties and behavior of these nanostructures in aqueous solution. These insights are relevant to provide a more complete understanding of the interactions of gold nanoparticles in a biologically relevant environment, and may contribute to the development of more effective therapeutic and diagnostic strategies based on nanotechnology.
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    Estudo do mecanismo de ação da atividade leishmanicida da miltefosina
    (Universidade Federal de Goiás, 2023-08-17) Fontenele, Thaís Moreira; Alonso, Antonio; Alonso, Antonio; Mendanha Neto, Sebastião Antônio; Marquezin, Cássia Alessandra
    Miltefosine (MT) is an internationally approved oral drug for the treatment of leishmaniasis, however, its mechanisms of action are not clear yet. In this study, we used electron paramagnetic resonance (EPR) spectroscopy associated with the spin label method to demonstrate that MT causes membrane rigidity in promastigotes of L. amazonensis after treatments of 24, 48 and 72 h. The EPR spectra were consistent with the occurrence of intense lipoperoxidation and oxidation of membrane proteins. These results agree with reported works showing that MT also causes changes in the mitochondrial membrane potential, as well as several compounds that also cause membrane rigidity in the Leishmania parasite. As previous studies have shown that MT causes great fluidity in the parasite's membrane after two hours of treatment, the results of this work suggest that the primary action of MT is on the plasmatic membrane, with probable alteration in the ionic balance, like ivermectin that alters the electrical potential on the parasite membrane and causes membrane rigidity as has been reported.
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    Desenvolvimento de um protótipo auxiliar para pesquisas com plantas em estresse hídrico
    (Universidade Federal de Goiás, 2023-08-16) Mendes, Patrick Soares; Narciso, Marcelo Gonçalves; Paula, Geyverson Teixeira de; Paula, Geyverson Teixeira de; Jesus, Luiz Henrique Reis de; Vieira, Silvio Leão; Narciso, Marcelo Gonçalves
    Climate change has the potential to transform society and the human relationship with the environment. With the growing need for food and climate change already impacting global production, studies warn of possible worrying scenarios if the exploitation of natural resources continues. A crucial solution is to increase agricultural production with efficient use of water to ensure food security. Developing techniques in this direction requires accurate collection of climate, plant and soil data. Indiscriminate and manual collection undermines the reliability of the research carried out. To solve this, embedded systems from the Agro 4.0 network are suitable for automating research processes. At Embrapa Rice and Beans, work is being done on the impact of water stress on plant production, so an auxiliary prototype was proposed, with the ability to collect data such as plant pot weight, water mass loss and soil moisture. A low-cost electronic circuit was developed with the ESP32 microcontroller in order to perform the task. Experiments with cotton plants in a controlled environment were conducted to validate the prototype. Results showed that the sensors selected, device communication and data storage worked properly, including being recorded in a spreadsheet. With adaptations, the prototype has the potential to be improved for external use, monitoring atmospheric pressure, intensity of sun exposure and temperature, among others.