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33 articles for “hydrogen bonding”
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Molecular Docking, QSAR Modeling, and ADMET Evaluation of Novel Pyrazolo-Pyrimidine Derivatives as Potential CDK-2 Inhibitors for Cancer Therapy
Abstract: Cyclin-dependent kinase-2 (CDK-2) is an essential regulator in cell cycle progression and is an important therapeutic target in cancer drug development. In the present study, an integrated computational approach involving molecular docking studies, QSAR modeling, ADMET prediction, and artificial intelligence-based analysis was used to identify pyrazolo-pyrimidine derivatives as potential CDK-2 inhibitors. Based on the molecular docking results, it was found that selected compounds exhibited high binding affinity towards the ATP …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 2, 2026 Read article
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Valorization of shrimp processing waste by green methodology and its application in Chitosan-PEG composite film
Abstract: Shrimp processing waste is mostly unidentified marine by product, presents considerable environmental pollution which also offers a rich but not fully exploited sources of biopolymers. The current work presents a sustainable method to convert shrimp processing waste into chitosan a biopolymer by green methodology. Isolation of chitin to chitosan from shrimp processing waste was carried through four green methodology steps i. Demineralization using citric acid ii. Deproteinization using papain iii. …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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Molecular Docking Analysis of Phytocompounds from Ficus hispida Aagainst Epidermal Growth Factor Receptor Kinase Domain
Abstract: The Epidermal Growth Factor Receptor (EGFR) kinase domain plays a key role in cancer, as it promotes tumour growth and helps cancer cells survive, making it an important focus for developing treatments. Through comprehensive computational analysis, this study investigates the anticancer potential of phytocompounds from Ficus hispida, a medicinal plant renowned for its diverse bioactive compounds, as novel EGFR inhibitors. Molecular docking techniques using Py Rx software were employed to …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 Read article
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Molecular Docking Analysis of Phytocompounds from Ficus hispida Against Epidermal Growth Factor Receptor Kinase Domain
Abstract: The Epidermal Growth Factor Receptor (EGFR) kinase domain plays a key role in cancer, as it promotes tumour growth and helps cancer cells survive, making it an important focus for developing treatments. Through comprehensive computational analysis, this study investigates the anticancer potential of phytocompounds from Ficus hispida, a medicinal plant renowned for its diverse bioactive compounds, as novel EGFR inhibitors. Molecular docking techniques using Py Rx software were employed to …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 3, Issue 2, 2025 · pp. 48–62 Read article
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In-Situ Polymerized GO/PANI Composites: Structural Evolution, Optical Modulation, and NH₃ Sensing at Room Temperature
Abstract: Graphene oxide (GO)/polyaniline (PANI) composites with varying PANI contents (20, 40, and 60 wt%) were synthesized via in-situ oxidative polymerization and systematically investigated for their structural, morphological, optical, and gas-sensing properties. X-ray diffraction (XRD) confirmed a progressive increase in interlayer spacing and partial exfoliation of GO layers with increasing PANI content, indicating intercalation-assisted hybridization. Fourier transform infrared (FTIR) spectroscopy revealed the characteristic vibrational bands of both constituents and confirmed strong …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Hydrogenated Nitrile Butadiene Rubber (HNBR): A Comprehensive Review
Abstract: HNBR is produced by the hydrogenation of nitrile rubber (NBR) using either a homogeneous or heterogeneous technique. NBR is a copolymer of butadiene and acrylonitrile monomers. The hydrogenation process involves adding hydrogen to the nitrile butadiene copolymer, which results in improved resistance to heat, oxidation, and chemicals compared to NBR. This process alters the molecular structure of the rubber, providing it with superior properties compared to its unmodified counterpart, NBR. …
Published in Journal of Materials & Metallurgical Engineering · Vol. 15, Issue 2, 2025 · pp. 14–22 Read article
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Corrosion and Corrosion Protection of Unio in Carbonic Acid Medium
Abstract: Unio is a calciferous animal, and its outer surface is made of calcium carbonate. It usually happens in sources of sweet water. They create carbonic acid by absorbing carbon dioxide. It changes the pH of sweet water sources thus water becomes acidic. It develops corrosive environment for Unio. Carbonic acid interacts with Unio to form corrosion cells on the interface of Unio. This acid oxidizes calcium carbonate into calcium ions …
Published in Journal of Water Pollution & Purification Research · Vol. 12, Issue 1, 2025 · pp. 22–31 Read article
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Types and Applications of Chemochromic Sensors
Abstract: Smart materials, also known as responsive or intelligent materials such as chemochromic materials changes colour upon exposure to a different environment or when react with different chemicals. Chemo chromic sensors are specially designed for robustness and can be used for leak detection in the vicinity of connections, valves, or Hydrogen line outlets. They can be altered, nevertheless, for a variety of uses. These are the materials whose colors and reflective …
Published in Recent Trends in Sensor Research & Technology · Vol. 10, Issue 2, 2023 · pp. 17–22 Read article
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Experimental and Simulation Study on Reduction Kinetics of Magnetite Ore by using Hydrogen
Abstract: In the present work, magnetite ore fines pellets were prepared for a study of reduction kinetics using hydrogen gas. In the present work, various parameters are investigated to assess their influence on reduction kinetics with respect to hydrogen utilisation. The different input variables influence the process, yielding the reduction fraction. The effect of temperature on reduction kinetics with hydrogen flow rate was explored for the optimum value of these parameters. …
Published in Journal of Materials & Metallurgical Engineering · Vol. 16, Issue 1, 2026 Read article
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Investigating the Surface Defects and Structural Integrity of 3D Printed Hydrogen Storage Cylinders in UAV Applications
Abstract: This research explores the processing and manufacturing challenges of 3D printed polymer composites for high-pressure hydrogen storage in UAVs. The study focuses on addressing surface integrity and structural robustness issues inherent in additive manufacturing. Finite Element Analysis (FEA) was conducted on four thermoplastic polymer ABS, PET-G, HDPE, and Nylon to assess their mechanical performance under 35 MPa of pressure. Results revealed that PET-G and ABS provided better stress distribution and …
Published in Journal of Polymer & Composites · Vol. 13, Issue 3, 2025 · pp. 161–191 Read article
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Photochemical Insights into Light: Responsive Heterocyclic Compounds
Abstract: eterocyclic compounds are significant in a wide range of chemical fields. They are crucial components of the structural makeup of bioactive substances. Such compounds can be conveniently transformed through photochemical processes. Chemical reagents are rarely utilized. It is possible for members of one compound family to change into members of another. There is discussion of three key categories of photochemical rearrangements involving heterocyclic compounds: Photochemical reactions involving hydrogen atom transfer …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 1, Issue 2, 2023 · pp. 01–07 Read article
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Azepines, Chemistry, Synthesis and Reactions
Abstract: Azepines, which consist of a seven-membered cyclic compound featuring six carbon atoms, an additional nitrogen atom, and no double bonds between carbons, form a diverse group within organic chemistry. The fully hydrated form of this compound is called azepam (C6H13N). Compounds and their variants play crucial roles in pharmaceutical research due to their biologic attributes like cancer-fighting, bacteria-killing, fungus-busting, virus-suppressing, and inflammation-reducing capabilities. Various organic molecules found within nature draw …
Published in International Journal of Minerals · Vol. 2, Issue 2, 2025 · pp. 35–45 Read article
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A Study on Solvent Interaction and Thermal Transport of β-Carotene
Abstract: β-carotene, a prominent compound of carrot pigments having a non-polar nature consisting of conjugated double bonds, plays a vital role in human health as a biological antioxidant and a precursor of vitamin A. In addition, it is also responsible for being a multicolored agent in various plant species and extensively employed in food colorants. This has centered attention on β-carotene nowadays. For the extraction of β-carotene, we used the most …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 847–855 Read article