Mahatma Gandhi Central University (MGCU), is a central university located in Motihari, Bihar, India. MGCU has 7 schools and 20 academic departments. This is the second Central University in Bihar after Central University of South Bihar (CUSB).
The development of multifunctional heterocyclic scaffolds with enhanced drug-likeness and potent biological activity remains a central objective in medicinal chemistry. A series of coumarin-linked naphthoquinone-fused pyrroles (L1–L8) were evaluated through integrated physicochemical, ADMET, molecular docking, and DFT analyses to assess their drug-likeness and therapeutic potential. All compounds showed acceptable drug-like characteristics, high predicted oral absorption, and non-BBB permeability, with consistent CYP3A4 substrate behaviour and minimal toxicological alerts. Docking against antineoplastic activity (PDB ID:3HV5, selected by PASS online tool) revealed strong binding affinities (− 8.80 to − 11.10 kcal/mol), with L4, L5, L6, and L8 displaying the most favourable interaction profiles. Based on molecular docking score, we selected top 4 ligands (L4, L5, L6, and L8) for DFT calculation. DFT-based global reactivity descriptors indicated good electronic stability, with L8 exhibiting the highest electrophilicity (7.2576 eV) and charge-transfer capability (2.9386). The energy band gap for the selected ligands varies from 3.0626 to 3.3669 eV. The ionization potential, electronegativity, and electron affinity follow a decreasing order of L8 > L6> L5 > L4. MEP analysis supported their potential for strong protein interactions. NCI, RDG, ELF, and LOL analysis were also investigated. Therefore, these results identify L4, L5, L6, and L8 as promising lead candidates for further biological investigation.
The growing use of electronic communication systems has intensified electromagnetic pollution, driving the development of advanced EMI shielding materials. In this work, a novel quaternary polymer-ceramic nano-composite was synthesized via a simple solvent casting method to create a thin, lightweight, and flexible EMI shielding film. Rietveld refinement confirmed the formation of single-phase nanomaterials. Mechanical tests showed high strength and flexibility. The dielectric constant increased with PPy (polypyrrole) content, enhancing electromagnetic radiation absorption. The composite with 16 wt% PPy achieved a maximum shielding effectiveness of 21.87 dB, with 16.73 dB from absorption and 5.13 dB from reflection. A high specific shielding effectiveness of 2858 dB center dot g-1 center dot cm2 was also recorded, surpassing many previously reported systems. These properties make the material highly suitable for use in flexible electronics, EMI shielding components, and advanced engineering fields like aerospace and automotive, where lightweight and effective shielding is crucial.
Advanced smart materials are needed that can effectively mitigate electromagnetic interference (EMI) and absorb electromagnetic waves (EMW), as the growing number of electronic communication systems has exacerbated the problem of electromagnetic radiation pollution. Including conducting filler in a PVDF (polyvinylidene fluoride) matrix composite film has attracted considerable attention due to its lightweight, thin, flexible, and durable properties. A new smart tertiary PVDF-La0.7Sr0.3MnO3-Carbon Black composite film has been fabricated via a simple solvent casting method. XRD (X-ray diffraction) confirms the single-phase synthesis of La0.7Sr0.3MnO3 (LSMO), and the well-dispersed LSMO and Carbon Black (CB) in the PVDF matrix is supported by FESEM (Field Emission Scanning Electron Microscopy). Increasing the carbon black concentration enhances the beta phase, as determined by FTIR (Fourier Transform Infrared Spectroscopy), which supports the dielectric results. CB70 (PVDF - 10 wt% LSMO - 70 wt% CB) composite films exhibit a significant EMI shielding effectiveness (SE) of 30.5 dB, with the major contribution coming from SEA. Moreover, the layered structure measurement has been conducted, and it has been observed that the layered structure enhances the EMI shielding efficiency; the 3-layered structure exhibits an EMI shielding of 55.56 dB. The developed layered structure facilitates the creation of an effective next-generation smart material for mitigating harsh electromagnetic radiation pollution.
This study includes an analysis of a highly efficient perovskite-based solar cell (PSC) design comprising FTO/TiO2-SnO2/CsSnCl3/Cu2O/Au structure with a focus on the enhancement of the device's performance. The thin film material, such as CsSnCl3, serving as the light-absorbing layer, is easily accessible on earth and does not contain any toxic elements. TiO2-SnO2 is the electron transport surface (ETS) with excellent energy level alignment while Cu2O is used as hole transport surface (HTS). In this work, the structure of the proposed device is systematically investigated by SCAPS-1D including power conversion efficiency (PCE), thicknesses of HTS, perovskite layer, ETS, as well as temperature, series and shunt resistance. In addition, interface defect density, Mott-Schottky, capacitance, recombination-generation rate and electrical impedance spectroscopy of the device are also analyzed. The structure obtained has open circuit voltage (V-oc) of 1.46 V, short circuit current density (J(sc)) of 27.53 mA/cm(2), Fill factor (FF) 83.58 % and efficiency (eta) of 33.68 %. The optimized thickness of HTS, absorber and ETS are 0.2, 1.8 and 0.02 mu m respectively, while the optimized doping is 10(21) cm(-3) for each layer. The device exhibits remarkable temperature resilience in the range of 290-310 K with minimal performance decline beyond this range. This study highlights the potential of lead-free perovskites in next-generation solar cells and shows that high efficiency can be obtained by careful material selection and optimization.
Air pollution is a worldwide crisis that contributes to numerous human problems related to environmental and public health. PM_2.5 pollution concentration is one of the major contributors to air pollution. PM_2.5 is known to penetrate deep into the respiratory system upon inhalation, leading to a wide range of health problems, such as respiratory infections, cardiovascular diseases, and even premature death. This study used the AirNow platform to obtain various US Embassies and consolates PM_2.5 data in the Indian subcontinent and China. The article proposed two hybrid models to enhance the performance of the model’s accuracy. The prop-1 hybrid model is a one-dimensional convolutional neural network and a bidirectional gated recurrent unit (1DCNN-BiGRU), using their abilities to capture spatial and temporal dependencies in PM_2.5 data. The prop-2 (1DCNN-BiGRU-DR) model further enhances the accuracy with the Decomposed-Recomposed (DR) techniques. The DR technique also enhances the model’s capacity to capture complex spatiotemporal patterns inherent in the data. The comparison of the suggested model with conventional deep learning models is conducted to assess a variety of parameter measures, including statistical and non-statistical parameters and graphical analysis. The assessment metrics, which include mean absolute error (MAE), root mean square error (RMSE), mean absolute percentage error (MAPE), and mean square logarithmic error (MSLE), illustrate the efficacy of the proposed models. Three distinct analysis patterns were pursued: Prop-1 vs. DL, Prop-2 vs. DL, and Prop-2 vs. DL-DR. The performance accuracy of Prop-1 is reflected in RMSE: 4.26 ± 0.12, and MAE: 2.27 ± 0.08. Similarly, the performance accuracy of Prop-2 is demonstrated by RMSE: 4.18 ± 0.10, and MAE: 2.44 ± 0.09. RMSE ranking across all three proposed model analyses secured the first rank, demonstrating superior predictive performance. The proposed models got superior results compared to the AIC-BIC test, Friedman ranking, Diebold Mariano test, and Taylor diagram evaluation. Results indicate that the prop-1 model integrated with the decompose-recompose methodology outperforms traditional deep learning methods, exhibiting superior prediction accuracy across multiple embassy locations. This study significantly contributes to the progression of forecasting methods for air quality on Earth. It has tangible implications for creating comprehensive and practical strategies that promote the well-being of individuals and the environment.
