Bioactive Apigenin‐7‐ O ‐β‐Glucoside and Rosmarinic Acid Molecules From Two Nepeta Species: Bioactivity‐Guided Isolation, In Vitro Evaluations, Pharmacokinetic and In Silico Approaches as Metabolic Enzyme Inhibition Agents

ABSTRACT Introduction In this study, apigenin‐7‐ O ‐ β ‐glucoside (AGL) was isolated from Nepeta nuda ; also, rosmarinic acid (RA) was isolated from N. aristata and N. nuda . Objectives The aim of this study is to investigate the enzyme inhibitory, DNA protective, and antibacterial effects of AGL and RA isolated from two Nepeta species. Material and Methods 1D and 2D NMR spectra and an MS chromatogram were recorded to identify AGL and RA. The antibacterial and DNA protection activities, enzyme inhibition, and kinetics investigated of AGL and RA. Molecular interactions, molecular dynamics (MD) simulations, molecular mechanics Poisson–Boltzmann surface area (MM‐PBSA) calculations, density functional theory (DFT), molecular electrostatic potential (MEP) analyses, and prediction of activity spectra for substances (PASS) predictions for RA and AGL were investigated for the first time to evaluate the activity results. Results In this context, the inhibitory properties of AGL were higher in urease, α‐amylase, and tyrosinase, whereas RA has a higher inhibitory activity on lipase, CA, and urease. In addition, AGL and RA showed effective antimicrobial activity against Staphylococcus aureus , while it also was effective DNA and deoxyribose protective activities. The stability of the complex formed by lipase, CA, and urease with RA and by tyrosinase and α‐amylase with AGL was determined by MD simulations, and the energy results of RA were evaluated by MM‐PBSA analysis. The DFT, MEP analysis, and PASS prediction showed that AGL and RA have a soft structure and can easily exchange electrons. Conclusion According to the results obtained from the current study, AGL and RA were explored as a drug model.

Targeted Neuroprotection in Sporadic Alzheimer's Disease: UPLC‐ESI‐MS/MS Profiling and Bilosome‐Mediated Delivery of Crateva magna and Its Endophytic Fungal Extracts

ABSTRACT Introduction Crateva magna ( Cm ) was utilized as a folkloric medicine against neurological disorders. Objectives This study aimed to investigate the phytochemical profile of Cm leaf extract and its endophytic fungus, Nigrospora oryzae ( No ) extract. Additionally, the neuroprotective potential of their optimized bilosomes (BLs) will be assessed as an approach to Alzheimer's disease ( AD ) treatment. Materials and Methods UPLC‐ESI‐MS/MS chemical profiling was performed. In vitro anti‐Alzheimer activity of Cm and No extracts was evaluated against AChE and BACE1 enzymes. Cm ‐BLs and No ‐BLs were prepared using the thin‐film hydration technique. In vivo anti‐Alzheimer potential was assessed in a streptozotocin (STZ)‐induced sporadic AD mouse model. Behavioral assays, neurochemical assays, RT‐PCR analysis, histopathological examination, and immunohistochemical analysis were performed. Results Chemical profiling revealed diverse metabolites from various chemical classes. The major class identified in Cm extract was flavonoids, e.g., kaempferol‐ O ‐hexoside, whereas in No extract, it was alkaloids, e.g., phenazine carboxamide. The neuropathological markers (A β 1–42, IL‐6, and p‐Tau protein) were reduced by ≈50% and 60% in mice receiving Cm ‐BLs and No ‐BLs, respectively, relative to the STZ group. Also, the BLs exhibited the greatest ability to downregulate the expression of p‐JNK, p‐P38, and p‐ERK in the brain. Histopathological examination revealed that No ‐BLs showed the highest protection for the hippocampus and cerebral cortex regions. Also, it revealed a significantly decreased reaction for NFκB in cerebral cortex neurons. Conclusion Cm ‐BLs and No ‐BLs exhibit considerable potential as novel adjuvant therapies for AD , utilizing natural bioactive compounds to improve the efficiency of targeted drug delivery and enhance therapeutic outcomes.

Identification of Fusarium verticillioides Isolates and Their Impact on Seed Germination and Biochemical Profiles in Maize

ABSTRACT Fusarium verticillioides is a common fungal pathogen of maize that causes significant losses in seed quality and seedling performance. Despite the high prevalence of this fungus in Ghanaian maize varieties, there is relatively little knowledge of the impact of F. verticillioides on seedling performance of Ghanaian maize varieties. The aim of this study was to isolate F. verticillioides isolates in the Bihilifa maize variety and to evaluate the effects of these isolates on germination‐ and biochemical‐linked traits. Six fungal cultures were isolated from the maize seeds. Based on phenotypic and phylogenetic analysis using translation elongation factor 1 alpha (TEF1‐α) gene, three isolates were identified as F. verticillioides : Fv‐B12024, Fv‐B22024, and Fv‐B32024, and were used in the germination and biochemical assay. All three isolates significantly reduced the germination‐linked traits: germination percent (GP), root length (RL), shoot length (SL), seedling vigor (SV), and whole seedling length (WSL). These changes resulted in increased carotenoid, 2,2‐Diphenyl‐1‐picrylhydrazyl (DPPH) activity, hydrogen peroxide (H 2 O 2 ), and malondialdehyde (MDA) contents in the roots and shoots of the inoculated seedlings. Principal component analysis (PCA) revealed a clear separation between the control and the inoculated seedlings, with the biochemical traits showing a strong association with isolate Fv‐B12024. Additionally, the shoot traits were less responsive to the fungus effects and exhibited low discriminatory power compared to the root biochemical traits. Overall, these findings demonstrated that F. verticillioides infection shifted Bihilifa maize seedlings from a high‐vigor physiological state toward a stress‐dominated biochemical state.

Development of sustainable polymer composite with agro‐industrial residue for biomedical applications

Abstract The excessive use of plastics has raised significant environmental concerns, including harm to marine ecosystems and pollution. PLA, a widely used bioplastic, suffers from low toughness and thermal stability, limiting its industrial applications. This study addresses these limitations by incorporating soybean hulls, a biodegradable agricultural waste, as a filler in PLA/PBAT blends to develop sustainable composites for 3D printing. Advanced optimization techniques, including grey relational analysis (GRA) and Taguchi design of experiments (TGRA), were used to optimize printing parameters. Results showed that the raster angle had the most significant influence on mechanical properties (70%). Validation tests using optimized parameters demonstrated a 23% decrease in tensile strength with 10 wt% soybean hulls but a 35% increase in flexural strength and only a 3% reduction in impact strength. These properties make the composite suitable for biomedical and rigid packaging applications. Scanning electron microscopy revealed voids, pullouts, and reduced interlayer adhesion, providing insights into the material's microstructure. This study highlights the innovative use of agricultural waste in 3D printing, combining eco‐friendly composites with advanced optimization techniques to improve sustainability and mechanical performance. Highlights Biodegradable PLA/PBAT composites with soybean hull made via FDM were studied. Raster angle influences 70% of mechanical property variations in composites. Adding 10% soybean hull increased flexural strength by 35% and reduced tensile by 23%. Grey relational analysis optimized printing improves composite properties. Eco‐friendly composites could replace petroleum plastics for biomedical purposes.

Enhancing biotextile applications with nanocomposite fibers: Molecular dynamics and interferometric analysis of the structural and mechanical properties of treated polypropylene

Abstract This study explores the enhancement of polypropylene (PP) fibers through the incorporation of titanium oxide nanoparticles (TiO 2 ), with a comprehensive characterization of their molecular, optical, mechanical, and antimicrobial properties. Density functional theory (DFT) and the PM6 semiempirical method were used to investigate the electronic properties and structure–activity relationships of the fibers. Experimental analyses, including FTIR, mechanical testing, and interferometric measurements using a Mach–Zehnder interferometer, were conducted to assess the impact of TiO 2 nanoparticles on the fibers' performance. The antimicrobial efficacy was evaluated using the shake flask method. Results indicate that the addition of TiO 2 nanoparticles significantly improved the material's polarity, mechanical strength, and antimicrobial properties. Specifically, the total dipole moment (TDM) increased from 0.0706 Debye in neat PP to 3.7180 Debye in PP‐TiO 2 , and the band gap energy decreased from 10.58 to 1.14 eV, indicating a transition to semiconducting behavior. The mechanical properties of PP‐TiO 2 demonstrated a yield strength of 206.83 MPa and an elastic shear modulus of 439.58 MPa, a notable improvement over neat PP. Moreover, PP‐TiO 2 fibers exhibited enhanced birefringence and strong antimicrobial activity against Escherichia coli , Staphylococcus aureus , and Candida species, underlining their potential for advanced applications in medical and hygiene‐related fields. Highlights Structural and optical properties of PP and PP‐TiO 2 have been analyzed. Advanced characterization with Mach–Zehnder interferometry and modeling has been used. Opto‐mechanical behavior was studied via stress–strain and refractive index. Antimicrobial efficacy was evaluated using the shake flask method. PP‐TiO 2 shows potential for biomedical applications like suture and dressings.

The Relationship Between Organizational Trust and Teacher Autonomy: The Mediating Role of Self‐Efficacy Beliefs

ABSTRACT Increasing numbers of studies have concentrated on teacher autonomy which is considered a crucial component in the work of teachers. This study explores the mediating role of teachers' self‐efficacy beliefs in the relationship between organizational trust and teacher autonomy. Data were drawn from 326 teachers working in a southwest city of Türkiye. The study utilized structural equation modeling to investigate the relationships between organizational trust, self‐efficacy beliefs, and the dimensions of teacher autonomy. The results revealed positive links between organizational trust, self‐efficacy beliefs, and each dimension of teacher autonomy. The results also revealed that self‐efficacy beliefs significantly mediate the relationship between organizational trust and curriculum autonomy, teaching autonomy, communicative autonomy, and professional development autonomy. In addition, organizational trust was found to play an indirect but crucial role with both teaching autonomy and curriculum autonomy. The findings emphasize the importance of creating an environment characterized by trust in schools and addressing teachers' self‐efficacy beliefs in an effort to support teacher autonomy. Practical implications and potential directions for further research are discussed aligned with the results of the study.

Transient Ischemic Attack Significantly Increases New Fracture Risk in Osteoporotic Geriatric Populations Within 1 Year

Increased Risk of Ipsilateral and Contralateral ACL Tears Within 1 and 2 Years Following Ankle Sprains in Obese Patients

Deciphering the Importance of Weak CH … O and CH … π Interactions in S ‐Propyl ( E )‐2‐(1,1‐Dioxido‐2‐Propylbenzo[ d ]Isothiazol‐3(2 H )‐ylidene)‐1‐Propylhydrazine‐1‐Carbothioate: An Experimental and Theoretical Approach

ABSTRACT The title compound, C 17 H 25 N 3 O 3 S 2 , hereafter 1 , has been prepared and fully characterized by FTIR, 1 H NMR and 13 C NMR. Its crystal structure was determined by single‐crystal X‐ray diffraction. The crystal packing is stabilized by weak CH···O and CH···π interactions. The CLP‐Pixel method was used to quantify the energetically significant molecular dimers. The intermolecular contacts were identified and quantified using Hirshfeld surfaces (HS) and the corresponding fingerprint plots. The main contributions to the HS of 1 come from HH, OH/HO and CH/HC contacts, which cover about 93% of the total HS surface. The enrichment ratios showed that the favorable contacts accountable for the crystal packing are consistent with their contributions to the HS. Interaction region indicator (IRI) analysis was used to visualize the location and type of intermolecular contacts, allowing identify the CH···O contacts as van der Waals interactions. To visualize the 3D topology of interactions in the crystal structure, interaction energy values were used to construct energy framework diagrams, which showed that the dispersion energy dominates over other interaction energies, as expected for crystal packing governed by weak interactions. Finally, a combination of MEP surface, QTAIM and NCIplot analysis energetically confirmed the existence of CH···O and O···O dichalcogen interactions.

Towards conservation and sustainable use of an indigenous crop: A large partnership network enabled the genetic diversity assessment of 1539 fonio ( Digitaria exilis ) accessions

Social Impact Statement The use of neglected and underutilized species (NUS) in agrosystems is a potential solution to the challenges arising from global change. These species could contribute to the equitable diversification of agricultural systems. Providing knowledge on their genetic diversity and fostering access to data and results is essential for the development of strong collaborative future research. The study addressed these issues by assessing the diversity of the largest fonio ( Digitaria exilis ) collection existing to date. Associated with a user‐friendly Shiny application ( https://shinyapps.southgreen.fr/app/foniodiv ), our results reinforce research efficiency and broaden the prospects for all actors involved in enhancing fonio and indigenous crops as valuable resources for the future.