Phytochemical evaluation and biosynthesis of Ocimum tenuiflorum based iron nanoclusters: An integrated experimental and DFT approach - StemSkills Lab
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Results in Surfaces and Interfaces 2025

Phytochemical evaluation and biosynthesis of Ocimum tenuiflorum based iron nanoclusters: An integrated experimental and DFT approach

Anshul Sharma, Hira Karim, Manjeet Kaur, Jitender Rathee, Khushwant Nandal, Priyanka Dahiya, Abdul Rajjak Shaikh

This study profiles the plant compounds in water and ethanol extracts of Tulsi (Ocimum tenuiflorum) leaves and uses the extract to make iron nanoparticles. Qualitative tests and gas chromatography-mass spectrometry identified flavonoids, phenols, and steroids, with the ethanolic extract indicated as richer, while electron microscopy and X-ray diffraction showed spherical crystalline particles 20 to 30 nm across. Density functional theory, a quantum method for modelling electron behaviour, indicated that Fe²⁺ binds one cyclocoryan ester (-27.60 eV) more stably than methyl eugenol (-26.40 eV), a complex the authors suggest could have applications.

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Anshul Sharma, Hira Karim, Manjeet Kaur, Jitender Rathee, Khushwant Nandal, Priyanka Dahiya, Abdul Rajjak Shaikh (2025) Phytochemical evaluation and biosynthesis of Ocimum tenuiflorum based iron nanoclusters: An integrated experimental and DFT approach. Results in Surfaces and Interfaces. https://doi.org/10.1016/j.rsurfi.2025.100494

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