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95 articles for “molecular modelling”
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Drug Induced Immune Mediated Nephritis: Molecular Mechanism , Pathways and Clinical Implications
Abstract: Drug-induced immune-mediated nephritis (DI-IMN) has become a more widely known cause of acute kidney injury (AKI), with the potential for development to chronic kidney disease if not detected and treated promptly. T-cell hypersensitivity to pharmaceuticals, such as antibiotics, proton pump inhibitors, nonsteroidal anti-inflammatory drugs, and immunological drugs, are the major causes for it. Beyond clinical burden, DI-IMN reflectsintricate molecular interactions that sustain interstitial inflammation and tubular injury. These interactions include …
Published in International Journal of Toxins and Toxics · Vol. 3, Issue 1, 2026 · pp. 13–29 Read article
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Molecular Transport Kinetics of Non-Polar Solvents Through AGNP Filled EPDM Elastomeric Composites
Abstract: EPDM Based rubber composites can be used in tank and pipe lining works. In these applications one of the major requirements is that the composite must have good fluid permeability and chemical degradation resistances in their working environment. In order to enhance the performance of EPDM rubber to suit these applications, scientists and engineers are trying to develop novel nanocomposites by incorporating nano fillers. In the present work, to ensure …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 993–1006 Read article
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A Technical Survey on Nanotechnology in Nanorobots
Abstract: Nanotechnology, the manipulation of matter at the atomic and molecular scale, has given rise to a revolutionary frontier: nanorobots – microscopic machines capable of interacting with biological systems and environments with unprecedented precision. This study explores the design, functionality, and application of nanorobots in medicine, environmental remediation, and materials science. By integrating principles from materials engineering, biotechnology, and robotics, nanorobots are engineered to perform tasks such as targeted drug delivery, …
Published in Journal of Nanoscience, NanoEngineering & Applications · Vol. 16, Issue 1, 2026 · pp. 14–21 Read article
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A Comprehensive Survey of Polymer Detection Techniques and Computer-Based Analysis Methods for Advanced Material Characterization
Abstract: Polymers are widely used in aerospace, automotive, biomedical, packaging, electronics, and manufacturing industries because of their lightweight nature, durability, and versatility. Accurate polymer identification and characterization are essential for quality control, recycling, performance assessment, and the development of advanced materials. Characterization helps determine important properties such as chemical composition, molecular structure, thermal stability, mechanical strength, and surface morphology, which influence material performance and application suitability. Traditional polymer detection methods include …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 921–929 Read article
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Machine Learning in Nuclear Medical Applications: A Review of Research Frontiers
Abstract: Nuclear medicine, encompassing PET, SPECT, and targeted radionuclide therapy, generates high-dimensional, quantitative data uniquely suited for machine learning (ML) analysis. This review synthesizes current research applications of ML across six key domains. Positron emission tomography (PET), single-photon emission computed tomography (SPECT), and targeted radionuclide therapy are examples of nuclear medicine modalities that generate high- dimensional, quantitative datasets that are particularly well-suited for machine learning (ML)-driven analysis. These imaging methods provide …
Published in Journal of Nuclear Engineering & Technology · Vol. 16, Issue 1, 2026 · pp. 19–24 Read article
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The Clinical Landscape of Wogonin: Advancing Targeted Treatments for Chronic Diseases
Abstract: The traditional Chinese medicinal herb Scutellaria baicalensis Georgi, commonly known as Chinese skullcap or Huang-Qin, has long been used to treat a variety of conditions, including cancer, viral infections, and seizures. Its pharmacological effects are largely attributed to the high concentration of flavones, particularly wogonoside, and its aglycone derivative, wogonin. Among the bioactive compounds found in S. baicalensis, wogonin has garnered the most scientific attention due to its potent therapeutic …
Published in Research & Reviews: A Journal of Pharmacognosy · Vol. 12, Issue 1, 2025 · pp. 46–52 Read article
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Experimental and Process Optimization Study on Thermal Stress Reduction in TiC–Steel Brazed Joints Using Polymer-Derived Composite Interlayers
Abstract: In this, an experimental investigation aimed at reducing crack formation due to thermal stress in TiC-steel brazed joints through optimization of key process parameters is presented. The primary objective was to develop an integrated and reliable brazing strategy by examining the effects of filler material selection, brazing gap, cooling conditions and type of flux. In this study, polymer-derived composite interlayers were developed through controlled synthesis and nanocomposite engineering to mitigate …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 524–540 Read article
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Dissipative Particle Dynamics Simulation Study on the Evolution of Photoinitiated Free Radical Polymerization Crosslinked Networks
Abstract: Gradient polymer materials overcome the limitations of conventional homogeneous polymers by integrating multiple distinct functionalities within a single continuous structure. Although photoinitiated free-radical polymerization offers excellent spatial and temporal control, the underlying microscopic mechanisms governing network evolution under non-uniform light fields remain poorly understood. In this study, a mesoscale dissipative particle dynamics (DPD) model was successfully developed to couple free-radical polymerization kinetics—including initiation, propagation, crosslinking, and termination—with exponential light attenuation …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 · pp. 142–158 Read article
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The Future of Camelids in South America: Recent Developments and Prospects
Abstract: Camelids, including llamas, alpacas, vicuñas, and guanacos, have been central to South American culture, economy, and ecosystems for centuries. Known for their adaptability to harsh Andean climates, these species provide valuable resources, such as luxurious fiber, nutritious meat, and durable leather. In modern times, their importance has grown due to increasing demand for sustainable and ethically sourced products, coupled with their minimal environmental impact and significant contributions to rural livelihoods. …
Published in Research and Reviews : Journal of Veterinary Science and Technology · Vol. 14, Issue 2, 2025 · pp. 35–38 Read article
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Pathophysiology Reimagined: Integrating Systems Biology and AI for Disease Understanding
Abstract: Pathophysiology, the study of disease mechanisms at molecular, cellular, and systemic levels, has traditionally relied on reductionist approaches that often fail to capture the complex, dynamic, and interconnected nature of biological systems. Diseases such as cancer, neurodegenerative disorders, and infectious diseases arise from intricate interactions among genetic, epigenetic, metabolic, and environmental factors, necessitating integrative, data-driven methodologies for a deeper understanding. Systems biology has emerged as a powerful approach by leveraging …
Published in Research and Reviews: A Journal of Pharmaceutical Science · Vol. 16, Issue 2, 2025 · pp. 63–71 Read article
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Revolutionizing Artificial Organs: Next-Generation Membrane Technologies for Precision Medicine and Global Health
Abstract: Membrane technology has emerged as a cornerstone in the advancement of artificial organ systems, offering critical functionalities in selective molecular filtration, tissue scaffolding, and controlled therapeutic delivery. Recent innovations have propelled the field beyond traditional polymeric membranes to include nanostructured, biomimetic, and stimuli-responsive materials, significantly enhancing biocompatibility, selectivity, and durability. The integration of smart technologies, such as AI-driven membrane design, bioelectronic sensors, and personalized fabrication via 3D printing, is ushering …
Published in International Journal of Membranes · Vol. 2, Issue 2, 2025 · pp. 29–39 Read article
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Graph Theoretic Analysis of Cyclodextrin Polymers
Abstract: Topological indicators in chemical graph theory are essential tools in cheminformatics, providing valuable insights into molecular structure and properties to make more accurate predictions about the behavior and efficacy of novel compounds in drug design. The macro molecules are correlated with certain derivatives. The derivatives are growing structures which depends on the cyclic structures. The Cyclodextrin is one of the cyclic structures which depends on the carbon atoms. The polymer …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 997–1006 Read article
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Role of Quantum Chemistry in Catalysis: A Comprehensive Review
Abstract: Catalysis plays a crucial role in modern chemical manufacturing, energy conversion, and environmental protection by enabling chemical reactions to occur more rapidly, selectively, and with reduced energy consumption. A fundamental understanding of catalytic processes at the atomic and electronic levels is essential for the rational design and optimization of catalysts. Quantum chemistry has emerged as a powerful theoretical and computational framework that enables detailed investigation of electronic structure, reaction energetics, …
Published in Journal of Catalyst & Catalysis · Vol. 13, Issue 1, 2026 · pp. 01–16 Read article
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Muscle vs. Heart: A Comprehensive Review of Anabolic Steroid-Induced Cardiovascular Risks
Abstract: Anabolic-androgenic steroids (AAS) are widely used by athletes and bodybuilders to enhance muscle mass and performance. However, their misuse is associated with serious and often underrecognized cardiovascular risks. Despite their popularity, particularly among young adults, the long-term consequences of AAS abuse on cardiovascular health remain insufficiently explored in the literature. This review aims to: 1. Analyze the cardiovascular implications of AAS use. 2. Elucidate the molecular and physiological mechanisms contributing …
Published in International Journal of Toxins and Toxics · Vol. 3, Issue 2, 2026 Read article
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Genomic Selection for Grain Yield in Wheat Using Machine Learning on DArT Molecular Markers: A Comparative Evaluation Across Multi-Environment Trials
Abstract: Genomic selection (GS) predicts complex quantitative traits directly from genome-wide molecular markers, bypassing the need for extensive phenotypic trials and accelerating plant breeding cycles. We conducted a comparative evaluation of seven regression approaches — ridge regression (the machine-learning equivalent of RR-BLUP), Lasso, Elastic Net, Partial Least Squares, linear Support Vector Regression, Random Forest, and Gradient Boosting — for predicting grain yield from 1,279 Diversity Array Technology (DArT) molecular markers genotyped …
Published in Research and Reviews : Journal of Computational Biology · Vol. 15, Issue 2, 2026 Read article