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Serratus Posterior Superior Intercostal Plane Block for Analgesia in Arthroscopic Shoulder Surgery: A Case Series.
No full textAccurate prediction of Gamow-Teller beta-decay matrix elements via machine learning: implications for nuclear structure
No full textAccurate prediction of Gamow-Teller (GT) beta decay matrix elements [M(GT)] is essential for elucidating complex nuclear structure phenomena and understanding astrophysical processes. In this study, we employed five advanced machine learning models (Cubist, Support Vector Regression, Extreme Gradient Boosting, Random Forest, and Bayesian Regularized Neural Networks) to predict GT beta decay matrix elements in sd-shell nuclei, using experimental data from NNDC/ENSDF, NUBASE2016, and AME2016. This study systematically compared the predictive performance of traditional theoretical approaches (including the USDB, IM-SRG, CCEI, and CEFT) to that of advanced machine learning models trained based on experimental observations. Our primary objective was to determine whether data-driven models could achieve higher predictive accuracy than computationally expensive theoretical models by learning the complex and nonlinear relationships among experimental parameters that reflect nuclear structure and decay dynamics. The results demonstrate that the Cubist model achieves a significantly lower RMSE (0.073 in the full parameter modeling approach and 0.112 in the reduced parameter modeling approach) and high coefficients of determination (R² = 0.901 and 0.919, respectively), thereby outperforming traditional methods. Furthermore, SHapley Additive exPlanations (SHAP) analysis revealed that a minimal set of critical nuclear parameters predominantly governs GT decay dynamics, thereby enhancing model interpretability without compromising predictive accuracy. Complementing these findings, an online calculator was developed to facilitate rapid, high-fidelity predictions of GT matrix elements. Overall, our study demonstrates that a data-driven approach outperforms established theoretical models. More importantly, by identifying the minimal set of physical observables that govern GT transitions, our work provides crucial insights into the underlying physics of nuclear structure and offers a new benchmark for refining future theoretical models and astrophysical calculations
In silico investigation of the efficacy of benzopyrazine derivatives on breast cancer by VEGFR2 inhibition using ML/DL based CADD software
No full textAngiogenesis is a critical pathway for cancer; The formation of new blood vessels is essential for the growth and metastasis of tumors. VEGF and its receptor VEGFR also play important roles in angiogenesis. VEGFR2 stands out as an important therapeutic target for breast cancer treatment. In this study, the interaction between benzopyrazine derivatives and VEGFR2 was evaluated using computer-based drug design (CADD) models, bioinformatics analyses and complementary computational methods. Biological activity predictions were made by developing the interaction data of 49 benzopyrazine-derived compounds in a virtual environment and by developing a QSAR model. Binding stability of proteins in newly designed structures was demonstrated with molecular dynamics simulations. ADMET predictions reveal that these tables have appropriate pharmacokinetic metabolism. Synthesizability of compounds with the best docking scores was calculated with artificial intelligence using the Retroscheme software. For compound number 46, which has the highest potential, molecular dynamics simulation data for 500 ns were calculated via the Desmond interface and its binding was interpreted. The study particularly shows that compound 46 may be an effective VEGFR2 inhibitor in the treatment of breast cancer
Exploring the potential of the pratfall effect in travel influencer marketing
No full textThis study introduces the use of the pratfall effect as a novel concept in increasing the efficiency and effectiveness of social media influencers (SMIs) in tourism. Drawing on the stereotype content model, the study examines whether the pratfall effect can be associated with perceived warmth and competence and ultimately relates to the travel intentions of customers through its link to travel inspiration. The study also investigates the moderating roles of central and peripheral processing routes based on the elaboration likelihood model. Using a scenario-based survey design, data were collected from 234 Turkish Instagram users who actively follow SMIs. Findings reveal that pratfall-induced perceived warmth and competence toward the SMI are associated with travel inspiration, which mediates followers' travel intentions. The strengths of these effects vary according to the message processing routes of the followers. While peripheral processing corresponds with increased warmth perceptions, central processing relates to enhanced competence perceptions of the SMI. These findings extend the SMI literature and offer practical implications for tourism practitioners to develop efficient and effective influencer marketing strategies.</ul
No cytotoxic silver(I) complexes as antibacterial and antibiofilm agents with BSA and DNA binding properties
No full textAims: A synthesis of four silver(I) complexes was conducted, and they were evaluated for their antimicrobial properties and their ability to inhibit the formation of biofilms. Additionally, their binding affinities to DNA and BSA were investigated. Materials & methods: The complexes, chloro[1-isopropyl-3-(3-methylbenzyl)-5,6-dimethylbenzimidazole-2-ylidene]silver(I) (2a), chloro[1-isopropyl-3-(3-chlorobenzyl)-5,6-dimethylbenzimidazole-2-ylidene]silver(I) (2b), chloro[1-methallyl-3-(3-methybenzyl)-5,6-dimethylbenzimidazole-2-ylidene]silver(I) (2c) and chloro[1-methallyl-3-(3-chlorobenzyl)-5,6-dimethylbenzimidazole-2-ylidene]silver(I) (2d) were prepared in 82–84% yields and fully characterized. The biological properties of both ligands and complexes were evaluated in vitro against S.aureus, E.faecalis, E.coli, A.baumannii, C.albicans, DNA and BSA. Results and conclusions: The complexes 2a-d exhibited a significant inhibitory effect on diverse bacterial biofilms, with percentages ranging from 73.6% to 80.3% for S.aureus, 69.5% to 85.9% for E.faecalis, 76.9% to 88.6% for E.coli, 75.9% to 84.6% for A.baumannii and 70.1% to 82.3% for C.albicans. The most significant activities were observed with complex 2b at 8.5 µM. It was observed that silver(I) complexes exhibited more effective binding to DNA (4.92 × 103 for 2a), while NHC precursors displayed a higher binding affinity for BSA (5.52 × 104 with 1-isopropyl-3-(3-methylbenzyl)-5,6-dimethylbenzimidazole chloride). While the precursors of ligands exhibited significant toxicity at their highest MIC concentrations, the complexes demonstrated minimal toxicity
Assessing the productive capacity performance based on an integrated MCDM model: critical insights underlying the impact of the COVID-19 pandemic
No full textPhytochemical Characterization, Cytotoxic, and Antimicrobial Properties of Aerial Parts of Heliotropium hirsutissimum Weber: In Vitro and In Silico Approaches
No full textThis study evaluated the possible cytotoxic properties of the aerial parts of Heliotropium hirsutissimum Weber on MCF-7 and MDA-MB-231 breast cancer cell lines and also investigated its antimicrobial effects. Following the identification of the main components of the extract using gas chromatography–mass spectrometry analysis, molecular docking studies were performed using the PDB 6YD9 and PDB 6BRX targets. The crude methanol extract exhibited the most significant cytotoxicity against the MCF-7 and MDA-MB-231 cell lines, with IC50 values of 10.03 ± 0.02 and 14.36 ± 0.65 µg/mL, respectively. Among the tested extracts, the n-hexane sub-extract had modest efficacy against Staphylococcus aureus and Bacillus cereus, with a minimum inhibitory concentration of 0.625 mg/mL. In silico studies demonstrated that 3'-acetyllycopsamine and heliotrine had moderate affinity for the PDB 6YD9 target residue regions, with docking scores of −6.7 and −6.5 kcal/mol, respectively. The docking scores for 3'-acetyllycopsamine and heliotrine against PDB 6BRX were −6.7 and −6.6, respectively. Quinic acid showed strong affinity for the target residues in PDB 6YD9 and PDB 6BRX, with docking scores of −9.3 and −12.1 kcal/mol, respectively. This study suggests that H. hirsutissimum may have a potential effect on breast cancer. This effect may be attributed to the phenolic compounds and pyrrolizidine alkaloids. These findings indicate that H. hirsutissimum is a promising natural resource for future research in both the anticancer and antimicrobial fields
Family quality-of-life burden in chronic spontaneous urticaria: A multicentre study
No full textBackground: Chronic spontaneous urticaria (CSU) can cause psychosocial and quality of life burden on patients and their family members and caregivers. Despite its recognition as a debilitating disease, limited data exist regarding the impact of CSU on family members, hindering a comprehensive understanding of the disease's broader effects. This study aimed to assess how CSU affects the quality of life of family members who support patients in their daily challenges by applying the Family Dermatology Life Quality Index (FDLQI) questionnaire across multiple countries. Methods: A cross-sectional, multicentre and international study conducted between January and December 2024 in Urticaria Centres of Reference and Excellence (UCARE) centres located in several countries including Brazil, China, Ecuador, Greece, India, Oman, Poland, Russia, Thailand, Turkey, Peru and North Macedonia. Statistical analyses, including non-parametric tests and multiple regression models, were employed to explore associations between disease severity/control and family burden. Results: Poorly controlled CSU significantly deteriorated family members' quality of life, particularly in emotional, physical and social domains. Higher disease severity and lower disease control scores were associated with increased stress, greater caregiving burden and elevated health expenditures. In opposition to family relations, older age and longer time since diagnosis mitigate negative impacts, while insufficient treatment regimens exacerbated them. Conclusion: Inadequate control of CSU amplifies the burden on families, underscoring the need for effective and supportive care strategies