Andrés Bello University

Fluorescent organic compounds are of great interest due to their wide range of applications based on their ability to absorb and emit light at longer wavelengths. Some important applications include optoelectronics, fluorescence imaging, tissue and in vivo imaging, and the detection of heavy metal ions. Therefore, the design and development of new compounds with photophysical properties remain challenging in the field of materials chemistry and molecular spectroscopy. In this work, a new series of 7-(2-oxopyrrolidin-1-yl)julolidine-1-one derivatives was synthesized to establish a structure-photophysical property relationship. The derivatives were obtained via an intramolecular cyclization reaction of a tetrahydroquinoline derivative using Eaton's reagent as the cyclizing agent. The compounds primarily exhibited a it-it* transition, and theoretical calculations using TD-DFT confirmed that this transition has a marked intramolecular charge-transfer character. In general, all the compounds showed pronounced solvatochromism, particularly in ethanol. Finally, the fluorescence quantum yields were high in dichloromethane (0.6-0.78). These results reveal the importance of the nature of the substituents in modulating the intensity of the absorption transitions.

Background The femoral circumflex arteries (FCAs), arising from the femoral and profunda femoris arterial system, exhibit substantial anatomical variability and are clinically relevant due to their role in supplying the femoral head and proximal thigh musculature. These variations may affect surgical, vascular, reconstructive, and anesthetic procedures in the femoral region. The objective of this study is to systematically evaluate the prevalence of FCA anatomical variants, characterize their patterns, and assess their clinical and surgical implications. Methods A systematic search was performed across PubMed/MEDLINE, Scopus, Web of Science, Google Scholar, CINAHL, and LILACS up to July 2025. Studies describing morphological or branching variants of the medial or lateral FCA were included. Methodological quality was assessed using the Anatomical Quality Assurance tool. A random-effects model estimated pooled prevalences and subgroup differences. Thirty-six studies met the eligibility criteria, of which 29 contributed data to the quantitative meta-analysis. Results The global pooled prevalence of FCA variations was 56% (95% confidence interval [CI]: 46%–66%) with high heterogeneity (I2 = 99.5%). No significant laterality predominance was observed. Regional subgroup analysis demonstrated higher prevalence in European populations (33%, 95% CI: 25%–42%) relative to Asian populations (28%, 95% CI: 20%–36%). Sex-specific analysis showed a greater prevalence in females (72%, 95% CI: 59%–84%) than in males (42%, 95% CI: 29%–54%). Variations primarily involved origin, branching pattern, and course of the FCAs. Conclusion Anatomical variations of the FCAs are common and exhibit significant geographic and sexual variability. Based on this, we have proposed a classification of the probability of iatrogenic injury according to FCA variant and its relationship to the main surgical approaches to the hip.

Carbonic anhydrase isoforms I and II (hCA-I and hCA-II) are metalloenzymes involved in essential physiological processes and represent relevant therapeutic targets for disorders such as glaucoma and osteoporosis. Chalcones have emerged as promising scaffolds for carbonic anhydrase inhibition; however, their structure-activity relationships, particularly for non-sulfonamide derivatives, remain insufficiently explored from a computational point of view. In this study, a dataset of 118 chalcone derivatives has been analyzed by using a three-dimensional quantitative structure-activity relationship (3D-QSAR) modeling, which comprises Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Index Analysis (CoMSIA). The developed models exhibited strong internal consistency and predictive capability for both isoforms. For hCA-I, steric, electrostatic, hydrophobic, and hydrogen bond acceptor fields has been identified as key contributors to inhibitory activity, whereas for hCA-II, hydrogen bond donor features played a more prominent role. Molecular docking and molecular dynamics simulations have been employed as complementary approaches to analyze ligand-protein interactions and binding stability. In addition, quantum chemical descriptors, derived from density functional theory, that have been integrated with the 3D-QSAR analysis, reveal a consistent correspondence between contour map features and the distribution of frontier molecular orbitals and molecular electrostatic potential. Furthermore, ADME-based pharmacokinetic properties of the proposed compounds have been evaluated to assess their potential drug-likeness. Based on the integrated computational analysis, six new chalcone derivatives, with predicted inhibitory activity in the nanomolar range, are proposed. Overall, this study provides a consistent physicochemical framework for understanding the inhibitory activity of chalcone derivatives and highlights key molecular features that may guide the modulation of activity across hCA-I and hCA-II isoforms.

Periodontitis and apical periodontitis (AP) are characterized by biofilm-driven, immune-mediated bone destruction. Macrophages orchestrate the immune imbalance, where the M1/M2 polarization axis is critical for tissue homeostasis. To review preclinical strategies for macrophage reprogramming-based immunotherapies in periodontitis and AP. A literature search in Web of Science (last 10 years) identified original in vivo and complementary in vitro studies evaluating interventions targeting macrophage polarization. Eligible studies reported M1 markers (CD80, CD8, and/or iNOS) and M2 markers (CD163, CD206, and/or Arg-1) in relation to inflammatory modulation and regenerative outcomes. Fifteen studies met the criteria. In periodontitis, local therapeutic strategies such as bioactive cytokines (CCL2, IL-37), inhibition of extracellular matrix proteins (FBLN3), functionalized biomaterials (Se-nHA/PC microspheres, Q@MPDA nanoparticles), MSC-derived exosomes, regulatory miRNAs (miR-126), pharmacological agents (glipizide, apabetalone), and adoptive M2 transfer demonstrated M2 polarization. In AP, systemically administered M2-derived extracellular vesicles, pharmacological agents (DMOG, Stattic, azithromycin), and blockade of Gremlin-1 are associated with M2 phenotypes. All reduced alveolar bone loss, osteoclast activity, and pro-inflammatory mediators, while favoring reparative responses. Mechanistically, effects were mediated through MAPKs, PI3K/Akt/HIF-1α, STAT3, and NF-κB pathways. Current evidence highlights macrophage reprogramming toward an M2 phenotype as a promising adjunctive strategy for periodontitis and AP. Delivered locally or systemically, these interventions dampen M1-driven inflammation and enhance regeneration, though validation in orthotopic models and translational studies remains necessary. Immunotherapeutic approaches targeting macrophage polarization could complement conventional biofilm control with emphasis on regenerative periodontics and endodontic procedures, opening new avenues for biologically driven, patient-centered therapies.

Gliomas are heterogeneous brain tumors with variable biology and treatment response. Accurate, non-invasive assessment of tumor aggressiveness is essential for prognosis and treatment planning. Conventional machine learning (ML) approaches typically frame glioma grading as a discrete classification task, which may overlook substantial intra-grade heterogeneity. This pilot study explores a regression-based framework to derive a continuous imaging-derived severity score, providing a relative assessment of tumor aggressiveness anchored to, but not redefining, established WHO grades. 36 glioma patients (low-grade glioma; LGG: 58.33