Brazilian Journal of Science

Acetylcholinesterase inhibitory potential of plant-based phenolics in the treatment of Alzheimer's disease: An in silico approach

Mojeed Ashiru — 2025-09-24

Alzheimer's disease is the most prevalent cause of dementia, accounting for more than seventy per cent of all the reported cases. Among the various treatment strategies, inhibiting the action of acetylcholinesterase that breaks down the neurotransmitter acetylcholine is the most common. In this report, thirty-eight phenolic compounds were retrieved from the PubChem database and screened in silico against acetylcholinesterase. Non-covalent molecular docking, molecular mechanics-generalized born surface area (MM-GBSA), and molecular dynamics (MD) were used to predict their binding mode, affinity, free energy, and the stability of the protein-ligand complex. These were followed by drug-likeness screening and a rigorous prediction of their absorption, distribution, metabolism, excretion, and toxicity (ADMET) parameters. Myricetin (-13.9 kcal/mol) was predicted to have the highest binding affinity among the phenolics, though lower than the bound donepezil (-16.3 kcal/mol). To increase the binding affinity of myricetin, it was modified via a Schiff base formation, which gave the hydrazine B-1 a binding affinity of -17.7 kcal/mol, higher than that of donepezil. The molecular dynamics simulation showed that the modified ligands have better stability than myricetin. The ADMET and drug-likeness studies showed that the top four phenolics and myricetin analogue derivatives could be further developed as potential drug candidates.

Keywords: Acetylcholinesterase, ADMET Modeling, Alzheimer’s disease, Molecular Docking, Molecular Dynamics

Embodying occupational justice and narratives: A theatre-pedagogy session in occupational therapy education

Panagiotis Barmpagiannis — 2025-09-27

This study explores how a theatre-pedagogy session supported first-year occupational therapy students in engaging with the foundational concepts of occupational justice and occupational narratives. The session was embedded in a core undergraduate course and aimed to provide a relational, embodied alternative to theoretical instruction. The session followed a four-phase structure - activation, deconstruction, reconstruction, and reflection - and was grounded in embodied participation, symbolic interaction, and collective meaning-making. Post-session interviews were analyzed using reflexive thematic analysis. Findings suggest that participants began to interpret occupational justice and occupational narratives not through theoretical abstraction, but through lived, emotional, and relational experience. Themes such as narrative expression, positional tension, and socio-cultural awareness emerged as central. While understandings remained tentative, they marked an entry point into the personal and social dimensions of professional learning. The study illustrates how theatre pedagogy can support the development of reflexivity and critical awareness in early stages of professional education, contributing to wider conversations around the role of arts-based methods in socially responsive and justice-oriented occupational therapy.

Ethical challenges in the therapeutic application of classical psychedelics for pediatric health conditions: A comprehensive review

Konstantinos Christodoulou — 2025-09-29

Classical psychedelics encompass psilocybin, lysergic acid diethylamide (LSD), N, N-dimethyltryptamine (DMT), and mescaline and are psychoactive substances that primarily function as agonists at the serotonin 5-hydroxytryptamine receptors (5-HT). In the immediate term, they modify perception, cognition, emotional state, social processing, and introspection, leading to a subjective mystical encounter. They also yield enduring effects by mediating neural plasticity. A renaissance in the potential benefits of using psychedelics, especially for psychiatric disorders, has led to clinical trials with adults. When considering a possible equivalent application of classical psychedelics for pediatric conditions, autonomy, beneficence, non-maleficence, and justice have to be contemplated, following the framework of Beauchamp and Childress. The purpose of this study was to provide a comprehensive review of the use of classical psychedelics, hence providing a balanced evaluation of the ethical considerations surrounding the administration of psychedelic compounds to pediatric populations. We summarized evidence indicating that classical psychedelics have shown efficacy in treating various disorders in adults, with ongoing research exploring their potential for additional conditions. While this suggests they could offer benefits for children, the current research remains preliminary, with uncertain outcomes and significant limitations. These factors highlight the ethical and practical challenges of applying such treatments to children, a particularly vulnerable population.

Analysis of flow characteristics in circular pipes

Eder Dias — 2025-09-29

Determining the fluid flow regime is critical for optimizing oil production processes. To address this need, we evaluated a method for characterizing flow by calculating the Reynolds number. Experiments were conducted using a closed-loop piping system equipped with a flow meter and a visualization chamber. The flow rate was systematically increased, and all tests were performed in triplicate to ensure accuracy and reliability. The results showed that the experimental setup effectively distinguished laminar, transitional, and turbulent flows in both single-phase and multiphase systems, with transitions visually confirmed by observing streamlines. This study presents a validated and practical approach for accurately determining flow regimes, offering direct benefits for the design and operation of industrial flow systems.

Enhance the growth and yield of garden egg varieties (Solanum aethiopicum L.) through integrated arbuscular mycorrhizal fungi biochar and application

Jean Bosco Ngarukiyimana — 2025-09-29

This study investigates the effects of Arbuscular Mycorrhizal Fungi (AMF), Biochar, and Nitrogen on the growth and yield of garden egg (Solanum aethiopicum L.) in both rain and dry seasons. The analysis of variance (ANOVA) for plant height revealed that AMF and Biochar significantly increased plant height in both seasons, while Nitrogen's impact was not significant. However, the interactions among AMF, Biochar, and Nitrogen were generally not significant for plant height, suggesting no synergistic effects among these factors during the entire growing period. The Tukey HSD test indicated that treatments combining AMF and Biochar, particularly at optimum levels, resulted in the tallest plants. For fresh fruit yield, significant three-way interactions (AMF.BIOCHAR.NITROGEN) were observed, particularly in the rain season, underscoring the importance of integrating these soil amendments to enhance yield. This interaction remained significant in the dry season, demonstrating the robustness of combined AMF, Biochar, and Nitrogen applications in improving plant performance under varying environmental conditions. Non-marketable yield was significantly reduced by the three-way interaction in both seasons, likely due to the combined benefits of enhanced nutrient uptake, improved soil structure, and optimized Nitrogen use. The significant interaction effects highlighted the complex synergy among AMF, Biochar, and Nitrogen, resulting in better crop productivity and reduced non-marketable yield. Chlorophyll content (SPAD units) was also significantly influenced by the three-way interaction in both seasons, with treatments involving AMF showing higher chlorophyll content. This finding aligned with previous research demonstrating the role of AMF in improving nutrient uptake and plant growth, while Biochar enhances soil properties and Nitrogen efficiency. The study concluded that AMF and Biochar significantly improve plant height and yield of garden egg in both rainy and dry seasons. The combined application of AMF, Biochar, and Nitrogen resulted in significant synergistic effects, enhancing crop productivity and reducing non-marketable yield. These findings emphasized the potential of integrating AMF and Biochar in soil management practices to achieve sustainable agricultural productivity. Further research should explore the long-term effects of AMF and Biochar on soil health and crop performance, as well as the economic feasibility of these amendments for large-scale agricultural practices. Additionally, investigating the molecular mechanisms underlying the synergistic interactions among AMF, Biochar, and Nitrogen can provide deeper insights into optimizing these factors for various crops and environmental conditions.

The plasma ball in physics teaching: A classroom approach to plasma ionization

Antonio Carlos Pereira de Menezes Filho — 2025-09-24

Plasma is recognized by Physics as the fourth state of matter. However, the study of plasmas in schools and universities often faces challenges, mainly due to the high cost of science and physics laboratories, which can be inaccessible to many groups of students. As a viable and affordable alternative, devices such as the plasma ball have been used in teaching this physical state of matter, even allowing the quantification of electric fields and the observation of electromagnetic waves. This study aimed to use a low-cost plasma ball in teaching a university-level Physics class, enabling hands-on experiments related to the determination of electric and magnetic fields. For this purpose, a low-cost digital sensor for electromagnetism and electric fields, a neon lamp, and a metallic coin were used. Students learned how to calculate the power of the plasma ball and explore the concepts of electric fields and electromagnetism, when present. The introduction of simple and engaging teaching tools significantly contributed to the students' involvement. They showed increased interest and ease in understanding the concepts related to the Physics of Electromagnetic Interactions (Electromagnetism), highlighting the pedagogical potential of accessible instruments in the teaching-learning process. Therefore, Physics classes must include basic, low-cost equipment or materials that can be easily constructed from readily available resources to enhance the teaching of this exact science.