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Experimental and Theoretical Studies of Green Synthesized Cu2O Nanoparticles Using Datura Metel L

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Abstract

In biomedical applications, Cu2O nanoparticles are of great interest. The bioengineered route is eco-friendly for the synthesis of nanoparticles. Therefore, in the present study, there is an attempt to synthesis Cu2O nanoparticles using Datura metel L. The synthesized nanoparticles were characterized by UV–Vis, XRD, and FT-IR. UV–Vis results suggest the presence of hyoscyamine, atropine in Datura metel L, and also, nanoparticles formation has been confirmed by the presence of absorption peak at 790 nm. The average crystallite size (19.56 nm) was obtained by XRD. FT-IR was also used to confirm the different functional groups. Fourier Power Spectrum was also employed to examine the synthesized nanomaterials spectrum data to emphasize the peak of the prominent frequencies. Density functional theory (DFT) was also utilized to assess the energy of the substance over time, which appears to indicate a stable molecule. Furthermore, calculated energies, thermodynamic properties (such as enthalpies, entropies, and Gibbs-free energies), modeled structures of complexes, crystals, and clusters, and predicted yields, rates, and regio- and stereospecificity of reactions were all in good agreement with experimental results. Overall, the results show that the successful production of Cu2O nanoparticles with Datura metel L. corresponds to theoretical research.

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Acknowledgements

The project was supported by Ministry of Science and Higher Education of Russia (Grant no. FENU-2020-0019). Authors (KC, KG) acknowledged Kalasalingam Academy of Research and Education, Krishnankoil, Tamilnadu, India.

Funding

The project was supported by Ministry of Science and Higher Education of Russia (Grant no. FENU-2020–0019).

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Authors and Affiliations

  1. Department of Physics, School of Advanced Sciences, Kalasalingam Academy of Research and Education, Tamilnadu - 626 126, Krishnankoil, Virudhunagar, India

    Karuppaiah Chinnaiah & K. Gurushankar

  2. Research Assistant Professor, Department of Electronics & Communication Engineering, Kattankulathur Campus, SRM Institute of Science and Technology, Chennai, India

    Vivek Maik

  3. School of Advanced Materials Science and Engineering, Kumoh National Institute of Technology, 61, Daehak-roGyeongsangbuk-do, Gumi-si, 39177, Republic of Korea

    Karthik Kannan

  4. Laboratory of Computational Modeling of Drugs, Higher Medical and Biological School, South Ural State University, 454 080, Chelyabinsk, Russia

    V. Potemkin, M. Grishina & K. Gurushankar

  5. PG and Research Department of Physics, Vivekanandha College of Arts and Sciences for Women (Autonomous), Elayampalayam – 637 205, Tiruchengode, Namakkal, Tamil Nadu, India

    M. Gohulkumar

  6. Department of Physics, Coordinator Research and Development Cell, Dr CV Raman University, Kargi Kota, Bilaspur, CG, India

    Ratnesh Tiwari

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  1. Karuppaiah Chinnaiah
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  2. Vivek Maik
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  4. V. Potemkin
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  8. K. Gurushankar
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Contributions

Experimental and characterization of green synthesized Cu2O nanoparticles using Datura Metel L done by KC and supervised by KG, KK, MGR and RT. Theoretical studies performed by KG, VM, VP and MG and supervised by VP and VM. Manuscript written by KC and checked by all authors.

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Correspondence to K. Gurushankar.

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Chinnaiah, K., Maik, V., Kannan, K. et al. Experimental and Theoretical Studies of Green Synthesized Cu2O Nanoparticles Using Datura Metel L. J Fluoresc 32, 559–568 (2022). https://doi.org/10.1007/s10895-021-02880-4

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