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45 articles for “toxicity prediction”
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Machine-Learning-Assisted Development of Polymer-Biochar Composite Adsorbents for the Removal of Heavy Metals from Gomti River Water
Abstract: Rapid urbanization, industrial discharge, and agricultural runoff pose a significant threat to freshwater sustainability and public health. Within these ecosystems, polymer pollutants—such as microplastics, nanoplastics, synthetic fibres, and additive residues—have emerged as persistent vectors capable of adsorbing and transporting toxic heavy metals. Because these polymeric contaminants dynamically interact with conventional aquatic parameters to alter pollutant mobility and ecological risk profiles, there is an urgent need to transition from passive environmental …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 · pp. 72–95 Read article
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Chemical Reactor Design and Analysis: A Review
Abstract: Chemical reactors play a critical role in industries such as oil and gas, chemical processing, and power generation, where they operate under extreme pressure and handle highly toxic, compressible fluids. The growing need for alternative energy sources has led to an increased demand for vessels capable of withstanding high pressure and temperature, especially in the chemical and petroleum industries. Recent innovations in chemical reactor technology have concentrated on creating new …
Published in Recent Trends in Fluid Mechanics · Vol. 12, Issue 2, 2025 · pp. 49–59 Read article
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Molecular Pharmacokinetics and Structural Docking of Phenolic Acids for Targeting NF-κB Pathway Components in Inflammation and Fibrosis: A Computational Approach Toward Therapeutic Discovery
Abstract: Inflammation and Fibrosis are critical pathological processes associated with various chronic diseases, often mediated by the nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB) signaling pathway. This study investigates the therapeutic potential of phenolic acids as modulators of the NF-κB pathway, aiming to identify novel ligands that can effectively interact with key components of this signaling cascade. A comprehensive computational approach was employed, utilizing molecular docking, pharmacological screening, and post-docking …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 1, 2025 · pp. 14–31 Read article
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DEVELOPMENT OF POLYMERSOMES AS MACROMOLECULAR PLATFORMS FOR NANOMEDICINE
Abstract: The conventional method of drug delivery is plagued with instability, low targeting and low bioavailability. A solution to these shortcomings is the use of polymer Somes, artificial vesicles that are produced through self-assembly of amphiphilic block copolymer, and they are suggested as universal nanoscale carriers. They have stiff, tunable membranes (thickness = 2-50 nm) due to accurate control of polymer chemistry, chain length, and hydrophilic mass fraction (f), which allows …
Published in Journal of Polymer & Composites · Vol. 14, Issue 5, 2026 Read article
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Exploring Antimalarial Activity of Chalcone Derivatives through QSAR
Abstract: Background: The core structure of chalcones contains a reactive α,β-unsaturated system within the aromatic rings, which plays a key role in mediating various biological effects. These effects include enzyme inhibition, anticancer activity, anti-inflammatory properties, as well as antibacterial, antifungal, antimalarial, antiprotozoal, and anti-filarial actions.Modifying the structure by introducing substituent groups to the aromatic ring can enhance potency, reduce toxicity, and expand their range of pharmacological actions. Methods: A total of …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 1–6 Read article