NITTE

The Developmental Origins of Health and Disease (DOHaD) hypothesis asserts that detrimental prenatal conditions, such as dietary deficiencies, may lead to enduring health consequences. Perinatal undernutrition, an important concern during fetal development, may affect growth and metabolic programming, resulting in lasting health implications. Maternal nutrition is crucial in modulating fetal endocrine systems and metabolic functions, influencing the development, blood circulation, and nutrient absorption. The present study examines the impact of perinatal undernutrition on the composition of gut microbiota and metabolite levels in offspring of undernourished dams, using an Albino Wistar rat model. Furthermore, we investigated the combined impact of astaxanthin (AsX) and docosahexaenoic acid (DHA) supplementation on cardiometabolic outcomes in these progenies. Astaxanthin, a powerful antioxidant, and DHA, an omega-3 fatty acid, have shown the ability to favorably alter the gut flora and metabolic pathways. The direct influence of AsX on gut microbiota remains unexplored, whereas DHA’s role in fostering beneficial microbes and regulating metabolite production is well documented. The current study used metabolomics and metagenomics to investigate the intricate relationship between metabolites and gut microbiota in health and disease, offering insights into fetal programming and possible strategies to improve offspring health. The results highlight the need to address perinatal undernutrition and enhance gut health through targeted dietary interventions to improve long-term health outcomes.

The adsorption of hazardous volatile organic compounds (VOCs) such as trichloroethylene and tetrachloroethylene is critical for environmental safety and public health. The present study investigates the potential application of hydrogenated β-phosphogalinane nanosheet, a novel 2D buckled material composed of alternating phosphorus and gallium atoms for the adsorption of trichloroethylene and tetrachloroethylene. Using first-principles density functional theory (DFT) calculations, the adsorption behaviour is systematically analysed, Mulliken charge transfer mechanisms, electronic property modulations of β-phosphogalinane upon interaction with the above VOCs at hollow, parallel, and valley site orientations are explored and reported. The calculated adsorption energies range from − 0.307 eV to − 0.525 eV, confirming physisorption, which is suitable for sensor reusability. Notably, a maximum bandgap reduction of 68.96

Breast cancer heterogeneity and resistance motivate the development of polypharmacological agents that engage multiple oncogenic nodes within a single chemotype. We designed and evaluated 64 coumarin–pyrimidine hybrids—organized into hydroxy- and sulfhydryl-pyrimidine series—against PARP-1, EGFR, HER2, and BCL-2 using an integrated in silico workflow. Molecular docking provided primary ranking and top docking affinities reached − 8.7 kcal/mol for PARP-1, − 10.6 kcal/mol for EGFR, − 10.1 kcal/mol for HER2, and − 8.1 kcal/mol for BCL-2, exceeding the reference ligands (olaparib − 6.2; erlotinib − 7.3; lapatinib − 6.9; doxorubicin − 7.0 kcal/mol). Molecular dynamics (MD) simulations (200 ns) were used to assess pose persistence and protein compactness. MM-GBSA rescoring on MD snapshots refined binding energetics; MM-GBSA ΔG_bind values were as favorable as − 51.10 kcal/mol (5 m–EGFR) and − 50.94 kcal/mol (9 s–HER2). Time-resolved MM-PBSA profiles monitored the stability of binding free energy along trajectories, and pharmacophore modeling rationalized key interaction features. Hydroxy-pyrimidines generally outperformed sulfhydryl analogues at PARP-1 and in kinase pockets, with para electron-withdrawing and heteroaryl substituents strengthening hinge-directed hydrogen bonding, π-stacking, and lipophilic packing. Four complexes—5 h–4R6E (PARP-1), 6f–1M17 (EGFR), 9 s–3RCD (HER2), 10d–4IEH (BCL-2)—showed consistent performance across methods, characterized by low MD fluctuations, compact radius-of-gyration ranges, persistent hydrogen bonds, and persistently favorable MM-PBSA energy profiles. Time-averaged MM-PBSA binding free energies were approximately − 140 to − 160 kJ/mol across the four systems. In silico ADMET supported their developability with molecule-specific considerations: 5 h (potent, but low predicted oral bioavailability), 6f (drug-like, predicted gastrointestinal absorption and potential blood–brain barrier penetration), 9 s (balanced profile with predicted BCRP (breast cancer resistance protein) interaction), and 10d (strong binding with hepatotoxicity alerts to de-risk). These findings nominate 5 h, 6f, 9 s, and 10d as prioritized computational leads for synthesis and experimental validation in relevant breast cancer models.

The primary aim of this study is to synthesize and characterize Ni-Mn alloy coatings prepared by the electrodeposition technique and to evaluate their structural, morphological, and corrosion resistance properties. This study evaluates the electrochemical response of Ni-Mn alloy deposition on mild steel (MS) substrates intended for automotive corrosion protection applications. The Ni-Mn coating is carried out using an optimized plating bath, with sodium vinyl sulfonate acting as a brightener to improve the uniformity of the deposition. The composition of the plating bath and operating parameters is optimized using the Hull cell technique. The electrodeposition is performed at multiple current densities (CDs), and the uniform deposition was observed at the CD 3 A dm−2. The surface morphology of the coating is examined using scanning electron microscopy (SEM) and atomic force microscopy (AFM), while energy-dispersive x-ray spectroscopy (EDX) confirms the presence of Ni, O, Fe, and Mn elements in both the coated and uncoated samples. Electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization (PDP) analysis are used to evaluate the corrosion behaviors of the coatings. A new optimized bath is found to promote the uniform and bright Ni-Mn coating, resulting in enhanced corrosion properties. The Ni-Mn alloy coating offers a unique combination of enhanced corrosion resistance and improved surface brightness compared to conventional Ni coating, achieved through controlled Mn incorporation. This alloy reveals a sustainable and eco-friendly alternative for automotive corrosion protection, with custom-made structural and morphological properties optimized via electrodeposition.

Electrifying the transportation industry may play a major role in the transition of smart cities. With more EVs on the road, it is especially desirable to implement a well-planned and effective charging infrastructure. Comparing level 3 chargers to level 1 and level 2 charging stations, the former are far faster in charging EVs. However, level 3 chargers can break critical system standards and have high-power consumption; thus, their widespread use is not economically or technically justified. This manuscript describes the best possible combination of all three EV charger options to effectively manage the EV demand while lowering distribution transformer loads, installation costs, and losses. The consequences of PV (photovoltaic system) generation are also considered in the analysis. Due to the unpredictability of vehicle users, EV load is considered using a stochastic approach. In addition, an intelligent search technique that combines the Mexican Axolotl optimization is improved by utilizing the Dingo optimization algorithm, which is named the improved Mexican Axolotl optimization. The IBESO is used to solve the constrained nonlinear stochastic problem. Finally, the proposed IBESO methodology’s performance is analyzed using MATLAB and provides thorough comparisons with various existing methods.