Synergistic effect of carbon dopants on photoinduced water−splitting on graphitic carbon nitride

International Journal of Hydrogen Energy, Journal Year: 2024, Volume and Issue: 71, P. 709 - 717

Published: May 22, 2024

Language: Английский

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Ionome mapping and amino acid metabolome profiling of Phaseolus vulgaris L. seeds imbibed with computationally informed phytoengineered copper sulphide nanoparticles

Discover Nano, Journal Year: 2024, Volume and Issue: 19(1)

Published: Jan. 4, 2024

Abstract This study reports the effects of a computationally informed and avocado-seed mediated Phyto engineered CuS nanoparticles as fertilizing agent on ionome amino acid metabolome Pinto bean seeds using both bench top ion beam analytical techniques. Physico-chemical analysis with scanning-electron microscopy, transmission electron X-ray diffraction, Fourier Transform Infrared Spectroscopy confirmed presence nanoparticles. Molecular dynamics simulations to investigate interaction some active phytocompounds in avocado that act reducing agents nano-digenite further showed 4-hydroxybenzoic had higher affinity for interacting nanoparticle’s surface than other compounds. Seeds treated digenite exhibited unique distribution pattern determined external proton-induced emission, hotspots Cu S appearing hilum micropyle area indicated possible uptake mechanism via seed coat. The also triggered plant stress response by slightly altering metabolism. Ultimately, may have important implications protective or nutritive advised its effect Graphical abstract

Language: Английский

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Coating of Remdesivir and Ivermectin on Silver Nanoparticles: A Density Functional Theory and Molecular Dynamics Study

Results in Surfaces and Interfaces, Journal Year: 2025, Volume and Issue: unknown, P. 100540 - 100540

Published: April 1, 2025

Language: Английский

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Interaction of some phytochemical compounds with Er2O3 nanoparticle: First principle study

Journal of Molecular Modeling, Journal Year: 2025, Volume and Issue: 31(5)

Published: April 3, 2025

Language: Английский

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Simulation-based insights into Remdesivir coating on Ag nanoparticles for optimized COVID-19 drug delivery

Journal of the Iranian Chemical Society, Journal Year: 2024, Volume and Issue: unknown

Published: Dec. 16, 2024

Language: Английский

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Molecular Nanoinformatics Approach Assessing the Coating Oxcarbazepina (Oxc) Drug on Silver Nanoparticle

Published: Jan. 1, 2024

Download This Paper Open PDF in Browser Add to My Library Share: Permalink Using these links will ensure access this page indefinitely Copy URL DOI

Language: Английский

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Molecular Nanoinformatics Approach Assessing the Coating Oxcarbazepine (OXC) Drug on Silver Nanoparticles

ACS Omega, Journal Year: 2024, Volume and Issue: 9(46), P. 46091 - 46103

Published: Nov. 5, 2024

Silver nanoparticles (AgNP) have gained significant attention due to their unique pharmacological properties. These been found possess antimicrobial, anti-inflammatory, and antioxidant activities, making them promising candidates for various medical applications. The coating characteristics of oxcarbazepine (OXC), a drug used in epilepsy treatment, on the AgNP icosahedral clusters were investigated using molecular dynamics (MD) simulations noncovalent interactions (NCI) Independent Gradient Model (IGM) analysis. We OXC concentrations 500, 1000, 1500, 2000, 2500 ppm. Our results suggested that has high potential interaction with AgNP, especially when concentration increases. Furthermore, it was observed this occurs mainly through nitrogen atom (N

Language: Английский

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Synergy effect of Ag nanoparticles and deep eutectic solvents in the CO2 capture process: A computational approach

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 417, P. 126517 - 126517

Published: Nov. 26, 2024

Language: Английский

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