Publications

Abstract This study investigates the structural and dynamic properties of ternary mixtures composed of NaPF6, ethylene carbonate (EC), and the ionic liquid choline glycine (ChGly), with a focus on their potential as electrolytes for supercapacitors. The combination of NaPF6-EC, known for its high ionic conductivity, with the biodegradable and environmentally friendly ChGly offers a promising approach to enhancing electrolyte performance. Through molecular simulations, we analyze how the inclusion of small concentrations of ChGly affects key properties such as density, cohesive energy, and ion mobility. Our findings demonstrate that the NaPF6-EC-ChGly mixture exhibits a complex network of electrostatic interactions and hydrogen bonding, with the glycine anion significantly influencing the liquid structure. In mixtures with small additions of ChGly, we observed an optimal balance of diffusion and ionic mobility. These results highlight the potential of ChGly as a green additive to conventional electrolytes, paving the way for more sustainable and high-performance energy storage devices.

Abstract The Universidade Junior (U.Jr.) program, initiated by the University of Porto (U.Porto), Portugal, is a comprehensive educational initiative conducted during the summer months, primarily targeting the 10-18 age group. The program aims to promote science, technology, arts, humanities, and sports knowledge among elementary and secondary-level students and to influence their vocational choices and higher education aspirations. The study analyses the relationship between participation in the U.Jr. program and subsequent enrollment in higher education at U.Porto. It utilises data collected from 2006 to 2022, comparing U.Jr. participants with students who enrolled as freshmen at U.Porto. A Pearson correlation coefficient was applied to establish the connection between these datasets. Data analysis reveals a significant positive relationship between participation in U.Jr. and the choice of U.Porto for higher education. The study shows that 22 out of 100 first-year students at U.Porto in 2021 had previously attended U.Jr. Moreover, the geographical provenance of participants and U.Porto first-year students showed a robust correlation. The findings suggest that U.Jr. has a substantial impact on attracting students to U.Porto and influencing their academic choices. The program's diverse activities, coupled with its inclusive approach, have been instrumental in increasing the university's attractiveness and helping mitigate the country's low higher education rates. The study underscores the importance of such initiatives in shaping students' educational trajectories and choices for higher education.

Abstract <jats:p>In this workshop, we explored a research example on the field of utopian studies and, within it, feminist criticism to illustrate text analysis with R language using metadata from the Lyman Tower Sargent Bibliography. Participants were introduced to the research topic, the R Studio environment, and guided through the iterative process of text analysis (word frequency and network analysis) with the Quanteda library. We aimed to show that visualizations are, more than results, part of a process that triggers new, more complex research questions</jats:p>

Abstract The present work is focused on determining the enthalpy of formation of several derivatives of amino-1,2,4-triazoles. Experimentally, the enthalpies of formation of the crystalline phase and the enthalpies of sublimation of 3-amino- and 3,5-diamino-1H-1,2,4-triazole were derived, respectively, from static-bomb combustion calorimetry and Calvet microcalorimetry or Knudsen effusion measurements. For 4-amino-4H-1,2,4-triazole, only the enthalpy of sublimation was measured. Gas-phase standard molar enthalpies of formation were also estimated using theoretical calculations performed with the G3(MP2) composite approach. The very good agreement of these estimates with the experimental results, support the extension of this study to the estimate of this property for the remaining compounds not studied experimentally. The results obtained are interpreted in terms of structural contributions.

Abstract Nanoparticle-based plasmonic optical fiber sensors can exhibit high sensing performance, in terms of refractive index sensitivities (RISs). However, a comprehensive understanding of the factors governing the RIS in this type of sensor remains limited, with existing reports often overlooking the presence of surface plasmon resonance (SPR) phenomena in nanoparticle (NP) assemblies and attributing high RIS to plasmonic coupling or waveguiding effects. Herein, using plasmonic optical fiber sensors based on spherical Au nanoparticles, we investigate the basis of their enhanced RIS, both experimentally and theoretically. The bulk behavior of assembled Au NPs on the optical fiber was investigated using an effective medium approximation (EMA), specifically the gradient effective medium approximation (GEMA). Our findings demonstrate that the Au-coated optical fibers can support the localized surface plasmon resonance (LSPR) as well as SPR in particular scenarios. Interestingly, we found that the nanoparticle sizes and surface coverage dictate which effect takes precedence in determining the RIS of the fiber. Experimental data, in line with numerical simulations, revealed that increasing the Au NP diameter from 20 to 90 nm (15% surface coverage) led to an RIS increase from 135 to 6998 nm/RIU due to a transition from LSPR to SPR behavior. Likewise, increasing the surface coverage of the fiber from 9% to 15% with 90 nm Au nanoparticles resulted in an increase in RIS from 1297 (LSPR) to 6998 nm/RIU (SPR). Hence, we ascribe the exceptional performance of these plasmonic optical fibers primary to SPR effects, as evidenced by the nonlinear RIS behavior. The outstanding RIS of these plasmonic optical fibers was further demonstrated in the detection of thrombin protein, achieving very low limits of detection. These findings support broader applications of high-performance NP-based plasmonic optical fiber sensors in areas such as biomedical diagnostics, environmental monitoring, and chemical analysis. (c) 2024 Chinese Laser Press