MOLECULAR MODELING, REACTIVITY PARAMETERS, AND SPECTROCHEMIC STUDIES OF e-CAPROLACTAM AND o-PHENANTROLINE
Background: Recently, research has been carried out to improve the efficiency of electronic devices in general. With the commercial search for consolidated materials and the growth in demand with monitoring of costs, research has sought to minimize these effects with the replacement or functionalization of other substances, which may be applied at lower costs without compromising operating yields already achieved. Objective: This work aimed to obtain molecular modeling and reactivity parameters of -caprolactam and o-phenanthroline to evaluate the interaction capacity in the formation of molecular systems. Conductance measurements were taken to observe the electrolytic behavior. Infrared and UV-visible spectra were recorded to characterize vibrational transitions and evaluate spectrochemical properties. Methods: The WebLab program was used to obtain structural data and calculate reactivity parameters. Conductance was obtained in QUIMIS Q-405 equipment. IR spectra were recorded on PERKIN ELMER FRONTIER equipment. UV-vis spectra were recorded in a SHIMADZU equipment 200 – 1000 nm range to record the main transitions. Results and Discussions: Electron donor atoms are centered mainly on oxygen and nitrogen, respectively, which are sterically more favorable. The behavior was non-electrolyte. Groups with vibrational transitions sensitive to chemical interactions are comprised of C=N, C-N, and C=O bonds. The parameter indicates transitions in the 190 – 300 nm region and the near-infrared, and the oscillator strength is typical of molecules used as dyes and sensitizers in optical light-emitting systems or light-to-electricity converters. Conclusions: We observed that these ligands have a donor capacity for the formation of complex systems that meet the need for electron transfer in optical pumping devices for the intensification of transitions or radiation converters, which can also be applied in radiation-to-electricity converter systems.
Read ArticleSTATISTICAL VALIDATION OF TRIPLE COLOCALIZATION ANALYSIS
Background: in the last decades, colocalization analysis of fluorescently tagged biomolecules has proven to be a powerful approach to studying functional relationships between these biomolecules. However, in many cases, to give this analysis a biological meaning, colocalization coefficients must be tested statistically, comparing them with the colocalization expected by chance. Aim: It addressed the statistical significance of triple colocalization to distinguish real triple colocalization and classify different triple signal scenarios. Methods: we use biological and generated images of triple signal scenarios to contrast seven independent statistical facts with independent statistical tests. Three of these tests correspond to pairwise relationships (double scrambling tests), and the others correspond to triple relationships: single scrambling tests (red, green, and blue scrambling) and the triple scrambling test. The analysis and methodology proposed can be reproduced using the application developed in our laboratory. Results: In the study approach, we found true triple relationships ignored by using traditional methods of computing the statistical significance, while we could reinterpret cases of not significant triple colocalization wrongly considered as significant by traditional methods. Discussion: single scrambling tests can reveal significant triple colocalization for low levels of triple co-occurrence, even when all pairwise relationships were exclusion relationships. Moreover, on the other hand, single scrambling tests can reveal the absence of a significant triple colocalization for high levels of triple co-occurrence, even when all pairwise relationships were significant colocalization. Conclusion: all scrambling tests are useful to classify a specific scenario of a triple relationship. Dynamics like mitosis can be distinguished into their phases by triple signal relationships using these 7 independent statistical tests.
Read ArticleWITH STRONG PRESENCE AT THE SECOND SOUTHERN SCIENCE CONFERENCE: A HISTORY OF EXCELLENCE IN EDUCATION AND RESEARCH
Background: The Second Southern Science Conference (SSCON 2024) represents a significant milestone in international scientific collaboration, bringing together researchers from twelve nations across multiple continents. The conference, held in Mendoza, Argentina, and co-hosted by the University of Vassouras in Brazil, marked both the 64th anniversary of Universidad de Mendoza and the 20th anniversary of Periódico Tchê Química, demonstrating the growing importance of cross-border academic partnerships. Aim: This study aimed to document and analyze the outcomes and impact of the Second Southern Science Conference, focusing on participation metrics, collaborative patterns, and institutional contributions while highlighting the significance of the hybrid format in facilitating global scientific dialogue. Methods: The analysis involved quantitative assessment of conference participation metrics, including the number of approved papers, author distributions, and institutional representation. The study examined participation patterns across countries and institutions, analyzing collaboration trends through statistical data visualization and comparative analysis of submission rates. Results: The conference achieved significant participation metrics with 65 approved papers and 242 contributing authors, averaging 4 authors per paper. The Universidad Nacional de Córdoba emerged as the leading institution, showcasing its 4 centuries legacy of academic excellence. The analysis revealed strong representation from Latin American institutions, with Brazil and Argentina leading in submissions. Most papers involved 2-5 collaborators, indicating effective research collaboration patterns. Over 500 people participated in the event through both in-person and virtual attendance options. Discussion: The hybrid format successfully facilitated broader international participation and knowledge exchange, which is particularly beneficial for addressing contemporary global challenges. The strong showing from Latin American institutions highlights the region's growing influence in international scientific discourse. The conference's interdisciplinary nature fostered new collaborative initiatives and research partnerships. Conclusions: The conference demonstrated the effectiveness of hybrid international scientific events in fostering global collaboration and knowledge exchange. Areas for improvement were identified, including extended submission timelines and establishment of a permanent management committee. The success of this edition supports the planning of future iterations, with the next edition scheduled to be held in Vassouras, Rio de Janeiro.
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