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.

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

We demonstrate that n-way junctions in three-dimensional gravity correspond to coupled n - 1 strings each satisfying the Nambu-Goto equation in the smoothened background and with sources consisting of Monge-Ampe`re like terms which couple the strings. For n >= 3, these n - 1 degrees of freedom survive the tensionless limit implying that matterlike behavior can arise out of pure gravity. We interpret these stringy degrees of freedom of gravitational junctions holographically in terms of wave packets, which collectively undergo perfect reflection at the multi-interface in the dual conformal field theory.