Publications

Abstract Non-alcoholic fatty liver disease (NAFLD) presents a pervasive global pandemic, affecting approximately 25 % of the world's population. This grave health issue not only demands urgent attention but also stands as a significant economic concern on a global scale. The genesis of NAFLD can be primarily attributed to unhealthy dietary habits and a sedentary lifestyle, albeit certain genetic factors have also been recorded to contribute to its occurrence. NAFLD is characterized by fat accumulation in more than 5 % of hepatocytes according to histological analysis, or >5.6 % of lipid volume fraction in total liver weight in patients. The pathophysiology of NAFLD/non-alcoholic steatohepatitis (NASH) is multifactorial and the mechanisms underlying the progression to advanced forms remain unclear, thereby representing a challenge to disease therapy. Despite the substantial efforts from the scientific community and the large number of pre-clinical and clinical trials performed so far, only one drug was approved by the Food and Drug Administration (FDA) to treat NAFLD/NASH specifically. This review provides an overview of available information concerning emerging molecular targets and drug candidates tested in clinical studies for the treatment of NAFLD/NASH. Improving our understanding of NAFLD pathophysiology and pharmacotherapy is crucial not only to explore new molecular targets, but also to potentiate drug discovery programs to develop new therapeutic strategies. This knowledge endeavours scientific efforts to reduce the time for achieving a specific and effective drug for NAFLD or NASH management and improve patients' quality of life.

Abstract Introduction: Intravaginal drug delivery has emerged as a promising avenue for treating a spectrum of systemic and local female genital tract (FGT) conditions, using biomaterials as carriers or scaffolds for targeted and efficient administration. Much effort has been made to understand the natural barriers of this route and improve the delivery system to achieve an efficient therapeutic response. Areas covered: In this review, we conducted a comprehensive literature search using multiple databases (PubMed Scopus Web of Science Google Scholar), to discuss the potential of intravaginal therapeutic delivery, as well as the obstacles unique to this route. The in vitro cell models of the FGT and how they can be applied to probing intravaginal drug delivery are then analyzed. We further explore the limitations of the existing models and the possibilities to make them more promising for delivery studies or biomaterial validation. Complementary information is provided by in vitro acellular techniques that may shed light on mucus-drug interaction. Expert opinion: Advances in 3D models and cell cultures have enhanced our understanding of the FGT, but they still fail to replicate all variables. Future research should aim to use complementary methods, ensure stability, and develop consistent protocols to improve therapy evaluation and create better predictive in vitro models for women's health. [GRAPHICS]

Abstract Generative Artificial Intelligence technologies can potentially transform education, benefiting teachers and students. This study evaluated various GAIs, including ChatGPT 3.5, ChatGPT 4.0, Google Bard, Bing Chat, Adobe Firefly, Leonardo.AI, and DALL-E, focusing on textual and imagery content. Utilizing initial, intermediate, and advanced prompts, we aim to simulate GAI responses tailored to users with varying levels of knowledge. We aim to investigate the possibilities of integrating content from Chemistry Teaching. The systems presented responses appropriate to the scientific consensus for textual generation, but they revealed alternative chemical content conceptions. In terms of the interpretation of chemical system representations, only ChatGPT 4.0 accurately identified the content in all of the images. In terms of image production, even with more advanced prompts and subprompts, Generative Artificial Intelligence still presents difficulties in content production. The use of prompts involving the Python language promoted an improvement in the images produced. In general, we can consider content production as support for chemistry teaching, but only with more advanced prompts do the answers tend to present fewer errors. The importance of previously understanding chemistry concepts and systems' functioning is noted.

Abstract Cationic gemini surfactants have emerged as potential gene delivery agents as they can co-assemble with DNA due to a strong electrostatic association. Commonly, DNA complexation is enhanced by the inclusion of a helper lipid (HL), which also plays a key role in transfection efficiency. The formation of lipoplexes, used as non-viral vectors for transfection, through electrostatic and hydrophobic interactions is affected by various physicochemical parameters, such as cationic surfactant:HL molar ratio, (+/-) charge ratio, and the morphological structure of the lipoplexes. Herein, we investigated the DNA complexation ability of mixtures of serine-based gemini surfactants, (nSer)2N5, and monoolein (MO) as a helper lipid. The micelle-forming serine surfactants contain long lipophilic chains (12 to 18 C atoms) and a five CH2 spacer, both linked to the nitrogen atoms of the serine residues by amine linkages. The (nSer)2N5:MO aggregates are non-cytotoxic up to 35-90 mu M, depending on surfactant and surfactant/MO mixing ratio, and in general, higher MO content and longer surfactant chain length tend to promote higher cell viability. All systems efficaciously complex DNA, but the (18Ser)2N5:MO one clearly stands as the best-performing one. Incorporating MO into the serine surfactant system affects the morphology and size distribution of the formed mixed aggregates. In the low concentration regime, gemini-MO systems aggregate in the form of vesicles, while at high concentrations the formation of a lamellar liquid crystalline phase is observed. This suggests that lipoplexes might share a similar bilayer-based structure.

Abstract The three principles of Inclusive Green and Sustainable Chemistry Education (IGSCE) are presented to guide the reflection, design, and implementation of potentially inclusive materials and approaches. These principles refer to (i) embracing student-centered learning, (ii) promoting teaching in the five levels of representation in chemistry, and (iii) adapting the curriculum to empower students to apply their academic skills effectively to real-life situations through supportive teaching and social guidance. Educational elements conducive to potentially inclusive classrooms and their interconnections are identified and discussed. These include using the Triangular Bipyramid Metaphor (TBM) to facilitate academic inclusivity for individuals with and without disabilities, such as those who are deaf and blind. Further, the importance of ensuring that all students, regardless of their abilities, can fully participate in the educational experience is highlighted, aligning with Sustainable Development Goal 4 (SDG #4) to achieve inclusive education and lifelong learning opportunities. Green chemistry should be available to everyone, not just a few. It promotes sustainable development and deserves global recognition and support. The change agents targeted by these three principles of IGSCE include, but are not limited to, educators, researchers, teachers, and students in secondary and university education.

Abstract Herein, we report the thermal behavior and high-precision heat capacity values, at T = 298.15 K, and in the range from 283 to 363 K, for several protic ionic liquids (PILs), derived from the 1:1 liquid mixtures of the organic superbases 1,5-diazabicyclo[4.3.0]non-5-ene (DBN) and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) with some carboxylic acids (propionic, butyric, hexanoic and octanoic). Glass transition, T g , crystallization, T c , cold- crystallization, T cc , and melting, T m , temperatures were determined for the PILs studied, showing marked differences with the base - T g is lower for all DBN PILs, and no T m , T c , and T cc could be obtained for the DBU PILs. The standard molar heat capacities, C 0 p , m , were obtained with an uncertainty of less than +/- 0.3 % and their dependence on the base and on the acid's chain length was studied in detail. The C 0 p , m of the DBU PILs were found to be significantly higher than those of the corresponding DBN PILs, which corroborates the greater ionic character of DBU PILs. The heat capacity data suggested the existence of a trend-shift with the chain length of the carboxylic acid. Similar to aprotic ionic liquids, the shift occurs around n = 5 (pentanoic acid) and suggests the existence of some degree of nanostructuration into polar and non-polar domains in PILs with larger acids. Moreover, PILs can display abnormally high excess heat capacities, resulting from the formation of an ionic mixture from neutral species. Analysis of the calculated excess heat capacities indicates that PILs tend to become less ionic as the temperature increases, which goes in accordance with the acid-base equilibrium shift.

Abstract This work aimed to explore an alternative to the use of antibiotics for prevention and treatment of wounds infection caused by two common bacterial pathogens Staphylococcus aureus and Pseudomonas aeruginosa. For this purpose, three different essential oil components (EOCs), namely carvacrol, citronellol and cinnamic acid, were loaded into electrospun fibers of poly-epsilon-caprolactone (PCL) aided by alpha-cyclodextrin (alpha CD) and hydroxypropyl-beta-cyclodextrin (HP beta CD). Electrospun-fibers prepared with each EOC and their mixtures were screened for antimicrobial capability and characterized regarding morphological, mechanical, thermal, surface polarity, antibiofilm and antioxidant properties. alpha CD formed poly(pseudo)rotaxanes with PCL and weakly interacted with EOCs, while HP beta CD facilitated EOC encapsulation and formation of homogeneous fibers (500-1000 nm diameter) without beads. PCL/HP beta CD fibers with high concentration of EOCs (mainly carvacrol and cinnamic acid) showed strong antibiofilm (>3 log CFU reduction) and antioxidant activity (10-50% DPPH scavenging effects). Different performances were recorded for the EOCs and their mixtures; cinnamic acid migrated to fiber surface and was released faster. Fibers biocompatibility was verified using hemolysis tests and in ovo tissue integration and angiogenesis assays. Overall, HP beta CD facilitates complete release of EOCs from the fibers to the aqueous medium, being an environment-friendly and cost-effective strategy for the treatment of infected wounds.

Abstract Colloidal nanocarriers can play a key role in the efficacious delivery of drugs, including antimalarials. Here, we investigated the ability of polymeric micelles of the block copolymer F127 to act as nanovehicles for two organic salts derived from chloroquine and human bile acids, namely, chloroquinium cholate (iCQP1) and chloroquinium glycocholate (iCQP1g). We have previously reported the strong in vitro antiplasmodial activity of these salts, which displayed IC50 values of 13 and 15 nM against blood forms of Plasmodium falciparum, respectively. By deriving from amphiphilic lipids, iCQP1 and iCQP1g also enclose the ability to act as surface-active ionic liquids (SAILs). The micellization properties of neat F127 and of the F127/SAIL mixtures were initially investigated to gain physicochemical insight into the interaction between polymer and bioactive SAILs, resorting to differential scanning calorimetry, surface tension measurements and dynamic light scattering. Micelle formation by F127 is an endothermic process strongly temperature and concentration dependent. Interestingly, this process is significantly changed when the molar fraction of SAIL (x(SAIL)) in the F127/SAIL mixture is varied between 0.33 and 0.90. Both SAILs favor the formation of mixed micelles by decreasing the micellization temperature, and (observed only when for x(SAIL) = 0.33) by synergistically decreasing the cmc. Concomitantly, the micellar size is reduced from 18 to 13 nm as x(SAIL) is increased from 0.33 to 0.90. Crucially, in vitro assays show that when the SAILs are loaded into F127 polymeric micelles, their antiplasmodial efficacy is substantially enhanced, with a significant drop in IC50, especially for the iCQP1/F127 system. This opens new possibilities for the nanoformulations of antimalarial compounds.

Abstract The standard molar enthalpies of formation in the liquid phase for ethyl (E)-cinnamate and ethyl hydrocinnamate, two cinnamate derivatives with notable flavor and fragrance characteristics, were determined experimentally using combustion calorimetry in an oxygen atmosphere. To derive the gas-phase enthalpies of formation for these derivatives, their enthalpies of vaporization were measured using a high-temperature Calvet microcalorimeter and the vacuum drop microcalorimetric technique. Additionally, a computational analysis employing the G3(MP2)//B3LYP composite method was conducted to calculate the gas-phase standard enthalpies of formation at T = 298.15 K for both compounds. These findings enabled a detailed assessment and analysis of the structural and energetic effects of the vinyl and ethane moieties between the phenyl and carboxylic groups in the studied compounds. Considering the structural features of ethyl (E)-cinnamate and ethyl hydrocinnamate, a gas-phase enthalpy of hydrogenation analysis was conducted to explore their energetic profiles more thoroughly. © 2024 by the authors.

Abstract Integrating experimental activities with technological advancements and investigative pedagogies holds promise for fostering multifaceted development of chemical knowledge acquisition and innovative pedagogical methodologies for preservice teachers. This research evaluates how a laboratory activity on electrochemical concentration cells incorporating the Arduino system and implementing a Prediction-Observation-Explanation strategy improves chemical knowledge among preservice teachers. The study used a pretest assessing knowledge of galvanic cells, followed by evaluative questions during a course for preservice chemistry teachers. Preservice teachers had the opportunity to reflect on the module by commenting on issues related to implementing the activity and integrating the Arduino system. Difficulties are associated with understanding electrochemical cells and implementing the POE pedagogy. The study's results provide a basis for comments on the activity's adaptability and efficacy in the classroom and incorporation into a preservice teacher education curriculum.