Resumen: En esta investigación se analizaron las estrategias didácticas utilizadas por las personas docentes de Química de educación secundaria en Costa Rica, al abordar el tema configuración electrónica. El estudio se desarrolló bajo un enfoque mixto con predominancia cualitativa utilizando un diseño de tipo incrustado concurrente (CUAL-cuan). La información se recolectó durante los meses de septiembre y octubre de 2021 utilizando un cuestionario dirigido a las personas docentes, una encuesta dirigida a las personas estudiantes y la técnica de grupo focal. La población estudiada incluyó a 10 personas docentes y 150 personas estudiantes de cuatro instituciones educativas públicas de Costa Rica (Liceo Fernando Volio, Liceo Laboratorio de Liberia, Liceo UNESCO y Liceo Diurno de Río Frío). Se encontró que, durante la mediación pedagógica, las personas estudiantes experimentaron estados de ánimo positivos (motivación, emoción, diversión) y negativos (tensión, confusión) que incidieron en el proceso enseñanza-aprendizaje y que un alto porcentaje de las personas estudiantes afirmó comprender el tema configuración electrónica, así como percibir el propósito de las estrategias utilizadas. Se concluyó que el dominio conceptual de las personas docentes para abordar el tema configuración electrónica fue el adecuado y que las estrategias didácticas más empleadas por las personas docentes carecían de componentes dinámicos. Adicionalmente, se concluyó que las estrategias didácticas dinámicas (uso de simuladores, aplicaciones y plataformas web, entre otros) se consideran apropiadas para mejorar el proceso de enseñanza-aprendizaje, pero su implementación se ve limitada por la falta de capacitación y las restricciones de tiempo de las personas docentes.

Resumo: Nesta pesquisa, foram analisadas as estratégias didáticas utilizadas pelos professores de Química da educação secundária na Costa Rica ao abordar o tema da configuração eletrônica. O estudo foi desenvolvido sob uma abordagem mista, com predominância qualitativa, utilizando um design do tipo embutido concorrente (CUAL-cuan). As informações foram coletadas durante os meses de setembro e outubro de 2021, utilizando um questionário dirigido aos professores, uma pesquisa direcionada aos alunos e a técnica de grupo focal. A população estudada incluiu 10 professores e 150 alunos de quatro instituições públicas de ensino da Costa Rica (Liceu Fernando Volio, Liceu Laboratório de Liberia, Liceu UNESCO e Liceu Diurno de Río Frío). Constatou- se que, durante a mediação pedagógica, os alunos experimentaram estados de ânimo positivos (motivação, emoção, diversão) e negativos (tensão, confusão), que impactaram o processo de ensino-aprendizagem, e que uma alta porcentagem dos alunos afirmou compreender o tema da configuração eletrônica, além de perceber o propósito das estratégias utilizadas. Concluiu-se que o domínio conceitual dos professores para abordar o tema da configuração eletrônica foi adequado e que as estratégias didáticas mais empregadas pelos docentes careciam de componentes dinâmicos. Adicionalmente, concluiu-se que as estratégias didáticas dinâmicas (uso de simuladores, aplicativos e plataformas web, entre outros) são consideradas apropriadas para melhorar o processo de ensino-aprendizagem, mas sua implementação é limitada pela falta de capacitação e pelas restrições de tempo dos professores.

Abstract: This research analyzed the didactic strategies used by middle school education chemistry teachers in Costa Rica when addressing the topic of electronic configuration. The study was conducted under a mixed- methods approach, predominantly qualitative, using a concurrent embedded design (QUAL, quan). Information was collected during September and October 2021 using a questionnaire directed at teachers, a survey aimed at students, and the focus group technique. The studied population included 10 teachers and 150 students from four public educational institutions in Costa Rica (Liceo Fernando Volio, Liceo Laboratorio de Liberia, Liceo UNESCO, and Liceo Diurno de Río Frío). It was found that during the pedagogical mediation, students experienced positive emotional states (motivation, excitement, fun) and negative ones (tension, confusion), which affected the teaching-learning process. A high percentage of students reported understanding the topic of electronic configuration and perceived the purpose of the strategies used. It was concluded that the conceptual mastery of teachers when addressing the topic of electronic configuration was adequate and that the most commonly used didactic strategies lacked dynamic components. Additionally, it was concluded that dynamic didactic strategies (use of simulators, applications, and web platforms, among others) are considered appropriate for improving the teaching-learning process, but their implementation is limited by the lack of training and the time constraints faced by teachers.

Abstract The study presents the main findings on the impact that experimental kits have had on the formation of scientific and practical skills in high school and university chemistry students through a systematic review following the phases of the PRISMA protocol. After a search and selection using inclusion and exclusion criteria, 18 studies selected from the Scopus, Google Scholar, and ERIC databases were analyzed. The results indicated that experimental kits facilitate observation, interpretation of results, proper handling of instruments, formulation of hypotheses, analysis of physical and chemical changes, as well as evaluation of quantitative and qualitative data, among others. In addition, socioeconomic factors such as inclusion in curricular planning are key determinants of the effectiveness and scope of experimental kits. In contexts where these aspects are adequately managed, a notable improvement in the quality of practical education was observed, contributing significantly to more enriching and effective learning. Concluding that experimental kits are effective resources for the training of practical and scientific skills, offering remarkable benefits thanks to their versatility, portability, safety, ease of use, and low maintenance cost.

Resumen El estudio presentó los principales hallazgos acerca del impacto que han tenido los kits experimentales en la formación de habilidades científicas y prácticas en estudiantes de química de secundaria y universitaria, mediante una revisión sistemática siguiendo las fases del protocolo PRISMA. Luego de una búsqueda y selección mediante criterios de inclusión y exclusión, se analizaron 18 estudios seleccionados de las bases de datos Scopus, Google Académico y ERIC. Los resultados señalaron que los kits experimentales facilitan la observación, la interpretación de los resultados, un adecuado manejo de instrumentos, formulación de hipótesis y análisis de cambios físicos y químicos, así como la evaluación de datos cuantitativos y cualitativos, entre otros. Además, factores socioeconómicos como la inclusión en la planificación curricular son determinantes claves en la efectividad y el alcance de los kits experimentales. En contextos donde estos aspectos se gestionan de manera adecuada, se observó una notable mejora en la calidad de la educación práctica que contribuye significativamente a un aprendizaje más enriquecedor y efectivo. Concluyendo que los kits experimentales son recursos eficaces para la formación de habilidades prácticas y científicas, ofreciendo beneficios notables gracias a su versatilidad, portabilidad, seguridad, facilidad de uso y su bajo costo de mantenimiento.

RESUMEN La utilización de los entornos virtuales de aprendizaje en el proceso docente de la carrera Ingeniería en Bioinformática es una de las prioridades en la actualidad en la Universidad de las Ciencias Informáticas. La caracterización de los procesos formativos en varias disciplinas en el uso de las Tecnologías de la Información y las Comunicaciones, arrojó uno de los resultados del proyecto de investigación “Estrategia didáctica de innovación que potencie la utilización de los entornos virtuales de aprendizaje en el montaje de las asignaturas en la carrera de Ingeniería en Bioinformática ”, en el que se detectó inconsistencia en el uso del entorno virtual de aprendizaje, manifestada en la escasa preparación de docentes y en la carencia de la identificación de los nodos integradores que permiten darle un enfoque a la enseñanza de la Química que sirven de base a otras disciplinas de la carrera como la Biología y la Bioinformática. El objetivo de este trabajo fue diseñar un sistema de acciones que permitan la preparación de los profesores en los contenidos químicos, en función de los procesos formativos de la carrera de Ingeniería en Bioinformática. Los métodos que se utilizaron fueron: el analítico sintético, el histórico lógico, el análisis documental, la observación y la entrevista, además, se utilizaron algunas herramientas informáticas. Los resultados alcanzados se concretaron en un conjunto de acciones para la preparación de los profesores de la carrera en los contenidos químicos y el uso de las bases de datos biológicas, de gran actualidad en el proceso docente.

ABSTRACT The use of virtual learning environments in the teaching process of the Bioinformatics Engineering career is one of the current priorities at the University of Informatics Sciences. The characterization of the formative processes in several disciplines in the use of Information and Communication Technologies, showed one of the results of the research project “Didactic strategy of innovation that enhances the use of virtual learning environments in the assembly of subjects in the career of Bioinformatics Engineering”, in which inconsistency was detected in the use of the virtual learning environment, manifested in the poor preparation of teachers and in the lack of identification of the integrating nodes that allow giving an approach to the teaching of Chemistry that serve as a basis for other disciplines of the career such as Biology and Bioinformatics. The objective of this work was to design a system of actions that allow the preparation of teachers in chemical contents, according to the formative processes of the Bioinformatics Engineering career. The methods used were: synthetic analytical, historical-logical, documentary analysis, observation and interview, and some computer tools were also used. The results achieved resulted in a set of actions for the preparation of the professors of the career in chemical contents.

RESUMEN El artículo presenta una reflexión derivada de una revisión sistemática (RS) de literatura sobre formación inicial docente (FID) y la implementación de controversias sociocientíficas (CSC), como herramienta esencial en la FID de profesores de ciencias, con énfasis en profesores de química en formación, como población estudio, del proyecto de investigación que sustenta esta reflexión. Las CSC se destacan como una oportunidad para contribuir a la alfabetización científica (AC) con fines democratizantes de la ciencia, más allá de la AC funcional, especialmente en un contexto post-pandemia, caracterizado por la necesidad de innovar en metodologías para desarrollar motivación y pensamiento crítico, valorando el conocimiento científico en contexto y territorio, para una ciudadanía responsable. La integración de CSC en la FID, desafía las prácticas tradicionales y dogmáticas, transitando a una educación contextualmente relevante. La reflexión está situada en el contexto chileno, con el objetivo de tensionar la FID en ciencias y su propósito.

RESUMO O artigo apresenta uma reflexão decorrente de uma revisão sistemática da literatura sobre a formação inicial de professores e a implementação de Controvérsias Sociocientíficas (CSC), como ferramenta essencial na formação inicial de professores de ciências, com ênfase nos professores de química. As CSC destacam-se como uma oportunidade de contribuir para a alfabetização científica (AC) com objetivos democratizantes da ciência, para além da AC funcional, especialmente num contexto pós-pandemia, caracterizado pela necessidade de inovar através de metodologias com o intuito de desenvolver a motivação e o pensamento crítico, valorizando o conhecimento científico em contexto e território, na procura de uma cidadania responsável. A integração das CSC na formação inicial de professores desafiou práticas mais tradicionais e dogmáticas, caminhando para uma educação contextualmente relevante. A reflexão situa-se no contexto chileno, com o objetivo de destacar a formação inicial de professores em ciências e a sua finalidade.

ABSTRACT The article presents a reflection derived from a systematic review of literature on initial teacher training (ITT) and the implementation of socio-scientific issues (SSI), as an essential tool in the ITT of science teachers, with emphasis on chemistry teachers in formation, as a population study of the research project that supports this reflection. SSI stand out as an opportunity to contribute to scientific literacy (SL) with democratizing goals of science, beyond functional SL, especially in a post-pandemic context, characterized by the need to innovate in methodologies to develop motivation and critical thinking, valuing scientific knowledge in context and territory, for responsible citizenship. The integration of SSI into the ITT challenged traditional and dogmatic practices, moving towards a contextually relevant education. The reflection is situated in the Chilean context, with the objective of stressing the ITT in science and its purpose.

Given the challenges associated with understanding electrochemistry content by engaging in prediction, observation, and explanation, laboratory activities can foster active participation and critical thinking, enabling individuals to proactively confront and revise their understanding. Since pre-service teachers should gain firsthand experience with predict-observe-based on a predict-observe-explain strategy, we propose a laboratory activity presented as a “mystery box” related to concentration cells coupled with an Arduino-based electronic data measurement system to identify how pre-service chemistry teachers move from observations to inferences in a qualitative research. Data was collected by written records and oral explanations during the practical interactions. Results suggest that the proposed laboratory activity allows pre-service chemistry teachers to access data and correct inferences related to electrochemistry content, promoting critical thinking. Data also showed a connection between the macroscopic and symbolic domains, and pre-service teachers recognized concepts associated with the activity, such as solution conductivity and the potential difference in chemical reactions, interpreting the system with prior knowledge, like electron flow direction and concentration cell components. However, additional strategies are needed for detailed and consistent observation and inference recording, enhancing the potential of such activities in favoring electrochemistry education in high schools.

HUMPHRY DAVY ON THE PAGES OF BRAZILIAN EARLY - NINETEENTH CENTURY PUBLICATIONS. Humphry Davy (1778-1829) occupies a singular place in the history of science. His career flourished after the great systematizations carried out at the final decades of the eighteenth century and the early years of the following century. His many discoveries, both of a fundamental as well as of an applied nature, opened numerous pathways in chemistry. This paper aims to show how his research was followed attentively by many in Brazil, at a time when the country was just beginning to establish its very first institutions of higher education and scientific research. It is interesting to see how those new discoveries were avidly followed from a distance and the repercussions they were enjoying at such an early stage in Brazil as an autonomous state.

A brief overview of the long-standing and rich academic and scientific career of Professor José Israel Vargas is presented, along with some of his thoughts and notable achievements since obtaining his university degree in Chemistry from Federal University of Minas Gerais (UFMG) in Belo Horizonte, Brazil. He received his doctorate from the Faculty of Physical Chemistry (1960, Cambridge University, UK), working with radiochemistry and hyperfine interactions. Six years after his return to Brazil, he began working as a leading researcher at the Centre d’Études Nucléaires de Grenoble, France, where he stayed until 1972. He then once more returned to Brazil and initiated a time of intense scientific activity at the Department of Chemistry, UFMG, as well as of great involvement in science and technology policy in Brazil. In 1977, he was appointed the first state secretary for Science and Technology in Minas Gerais; from 1994 to 2000, he served as the Brazilian Minister of Science, Technology, and Innovation. The present paper will highlight his key role in fostering the scientific careers of numerous young scientists and also pay him homage to recognize his significant contributions to Brazilian and French science, particularly in chemistry and physics.

2,5-Diketopiperazines (2,5-DKPs) are valued in Medicinal Chemistry for their diverse properties and are considered privileged structures. The natural alkaloids class of fumiquinazolines, combining 2,5-DKP and quinazolinone cores within a pyrazino[1,2-b]quinazoline-3,6-dione framework, is known for its broad biological activity. Although few synthetic approaches to such structures have been explored, this study focuses on synthesizing novel fumiquinazolines analogs featuring a pyrazinopyrido[2,3-d]pyrimidine-5,7-dione core bearing various substituents on the pyrazine moiety (C-6 and C-9), classified into three series (A, B, and C). To investigate an efficient sequential one-pot method, we used a pyridine precursor and L-amino acids in two condensation and cyclization reactions, under controlled microwave irradiations at lower temperatures than previously reported. This approach generated protected bicyclic intermediates, particularly pyrido[2,3-d]pyrimidin-4(3H)-one derivatives, which were smoothly deprotected, allowing for final intramolecular cyclization to yield disubstituted fumiquinazoline analogs (series A) without observed epimerization. The optimized protocol revealed greater efficiency for monosubstituted analogs (series B and C), speeding up the tricyclic products synthesis without the need for intermediates isolation and deprotection. Overall, this study demonstrates the incorporation of diverse protected amino acids, featuring different electronic and structural side chains, via a rapid and effective sequential one-pot strategy, resulting in the synthesis of 19 novel fumiquinazoline analogs.

This research addresses the importance of introducing students to the scientist’s methods of thinking and acting in science teaching. We highlight two sets of science skills related to collecting and analyzing data, and communicating scientific ideas. The innovation is the use of a low cost digital microscope with a USB (universal serial bus) interface to monitor the experimental activities of steel corrosion and water electrolysis in the context of teaching electrochemistry in a physical chemistry graduation course. Thirty-three students from the chemical engineering course at a university in Northern Brazil participated in this research, who were studying the discipline, arranged in groups. The results show that the students performed well in the scientific skills assessed during the steel corrosion experiment due to the apparatus. However, in the water electrolysis experiment, there were more difficulties, especially in communicating scientific ideas. Participants reported that using the microscope helped them understand chemical phenomena and increased curiosity and learning. It highlights the importance of the pedagogical approach based on experimental activities, which are similar to the practices of science, allowing students to be active agents in the construction of knowledge and the use of the low cost digital microscope as an innovative tool in teaching electrochemistry.

AN INTERNAL STRUCTURE OF THE CHEMISTRY FIELD IN BRAZIL. This article investigates the configuration of the internal structure of the field of chemistry in Brazil, with an emphasis on the positions occupied by dominant and dominated agents. Utilizing the theoretical framework by Pierre Bourdieu, specifically his approach to fields of power and capital, the study proposes a detailed analysis of the distribution of specific capital among Brazilian chemists. The research was divided into two main methodological stages: firstly, configuring the field through the localization of agents in the academic space based on their volume of specific capital; secondly, an analysis focused on the agents occupying the extreme positions in this space, identified as dominants and dominated. This type of analysis contributes to understanding the field, its values and how its power structure is distributed. This information helps agents to understand and move within this configuration with a view to its conservation or subversion.

QUANTUM COMPUTING IN CHEMISTRY. Quantum computing offers transformative potential for quantum chemistry, enabling the exploration of complex molecular simulations with unprecedented accuracy. By leveraging qubits and powerful quantum algorithms like the variational quantum eigensolver (VQE) and quantum phase estimation (QPE), quantum computing provides a novel approach to unraveling the intricacies of electronic structures and properties of molecules. While challenges persist in qubit stability and error mitigation, continuous innovation is fostered by collaborative efforts between the quantum computing and chemistry communities. These collaborations pave the way for groundbreaking advancements in drug discovery and materials science. This research employed quantum computing simulators to investigate the potential energy surface (PES) of the H2 molecule at the CCSD/STO-3G level of theory. These simulators, leveraging qubits and sophisticated algorithms, facilitated the acquisition of detailed information regarding the electronic structure, bonding mechanisms, and spectroscopic properties of the diatomic molecules.

Abstract Caused by the protozoan Trypanosoma cruzi, Chagas disease affects six to seven million people worldwide, mainly in Latin America. The drugs currently available for treating the disease are ineffective during its chronic phase and have serious adverse effects. Essential for the survival of T. cruzi, the enzyme dihydroorotate dehydrogenase (DHODH) has become a key molecular target for drug discovery in Chagas disease. This study investigates the bi-dimensional and three-dimensional quantitative structure-activity relationships (QSAR) for a series of 64 T. cruzi DHODH inhibitors. The results indicate a highly predictive 2D Hologram QSAR (HQSAR) model (q 2 = 0.65, r 2 = 0.88, and r 2 pred = 0.82) that identified key molecular fragments that correlate with DHODH inhibition. Moreover, 3D Comparative Molecular Field Analysis (CoMFA) models (q 2 = 0.75, r 2 = 0.99, and r 2 pred = 0.66) pointed out the 3D molecular features that determine the activity of the inhibitors. Although restricted to a congeneric series and focused solely on 2D and 3D descriptors, these QSAR models and molecular docking analyses identified key properties and intermolecular interactions for designing and optimizing new compounds as potent T. cruzi DHODH inhibitors.

Abstract Considering the unique role of medicinal chemistry in the pharmacists’ formation, in this work we assessed the impact of medicinal chemistry teaching on the interpretation of a clinical situation using statistical and learning gain analysis. Lectures were conducted with or without medicinal chemistry information about the drugs involved, and pre and post-tests were applied. Pharmacy students (n = 35) were divided into two experimental groups (control and test) and presented with a case report selected from literature involving statin-related myopathy when a pre-test was applied. A lecture containing pharmacological information on statins was delivered to the students from the control group. In contrast, the test group received the same information, but medicinal chemistry elements of statins were inserted, and afterward post-test was applied. The scores from the pre-test and post-test were statistically evaluated and used to calculate Cohen’s d, Hake’s, and Dellwo’s G learning gains to compare the performance of the students from both groups. The results showed that students from the test group obtained significantly higher performance in the post-test and higher learning gain values. In summary, medicinal chemistry elements provided important knowledge to unveil the reported clinical situation and to provide skills for adequate drug selection to avoid statin-related myopathy.

This study investigates the representation of bioactive substances in popular culture, with a special focus on cartoons and games, through the lens of Medicinal Chemistry. We explore how these substances, often complex in their composition and effects, are reinterpreted and simplified to fit into fictional narratives, influencing the public perception of science. Taking iconic examples such as “Alice in Wonderland”, “Mario Bros”, “Popeye”, and “Asterix and Obelix”, we analyze not only how science is interpreted but also how it is transformed into narrative elements, fueling imagination and shaping cultural perceptions. Furthermore, this research aims to fill a gap in the literature by introducing a multidisciplinary approach that integrates concepts of Medicinal Chemistry with media analysis and molecular modeling. The inclusion of these novel data and analyses not only enriches our understanding of representations of psychoactive substances in popular culture but also provides valuable insights for research in Medicinal Chemistry and the development of future pharmacological therapies. By highlighting the importance of public science communication and media literacy, this study contributes to promoting critical thinking and a broader appreciation of the intersection between science, popular culture, and entertainment.

This study aimed to utilize molecular modeling and theoretical chemistry methods to contribute to the elucidation of the mechanism of action of boldine, an alkaloid present in the Peumus boldo plant. Boldo holds a special place in traditional medicinal practices throughout Brazil and has been officially recognized as medicinal plant. It is traditionally indicated for choleretic and cholagogue effects, among other digestive disorders. Literature has provided experimental evidence demonstrating that boldine can bind to the farnesoid X receptor, a key player in the production and excretion of bile. Our in silico study revealed that boldine exhibits stable non-bonded interactions like those calculated for the endogenous ligand chenodeoxycholic acid and the synthetic agonist colifexor, supporting what has been experimentally observed in the literature. The packages MOPAC, AutoDock, GROMACS and g_mmpbsa were employed for structural optimization, molecular docking, molecular dynamics and bond energy calculations respectively. This study demonstrates the application of theoretical chemistry and molecular modeling methods, including molecular docking, molecular dynamics, and molecular mechanics Poisson-Boltzmann surface area (MM-PBSA), in identifying molecular targets and providing insights into the bioactivities of natural products.