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Asparagine-modified magnetic graphene oxide as efficient green nanocatalyst for synthesis of chromenes and pyrano pyrazoles derivatives.

Masoud Khaleghiabbasabadi, Davood Azarifar, Hadi Taghavian, Hadi Hematian, Daniele Silvestri, Bohuslav Rezek, Behrokh Bahrami, Saeid Khodabakhshi

Scientific reports, Volume: 15, Issue: 1, Start page: 17252

Swansea University Author: Saeid Khodabakhshi

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DOI (Published version): 10.1038/s41598-025-00777-x

Abstract

The primary focus of this study involved the fabrication of a novel nanocatalyst Fe O -supported asparagine functionalized graphene oxide Fe O @GO-N-(Asparagine). The catalyst was synthesized through a four-step procedure. The chemical composition of Fe O @GO-N-(Asparagine) was examined using variou...

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Published in: Scientific reports
ISSN: 2045-2322
Published: Springer Nature 2025
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URI: https://cronfa.swan.ac.uk/Record/cronfa69609
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The chemical composition of Fe O @GO-N-(Asparagine) was examined using various analytical methods, including scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA) and a Raman. The Fe O @GO-N-(Asparagine) catalyst demonstrated remarkable catalytic action in the synthesis of 5-oxo-dihydropyrano[3,2-c]chromenes as well as dihydropyrano[2,3-c]pyrazole derivatives. The protocol offered several benefits, including short reaction times, the utilization of green solvents, outstanding product yields, and a straightforward work-up procedure. Eventually, density functional theory (DFT) computations were utilized to calculate several parameters, including energy levels, electrostatic potential, and chemical reactivity descriptors based on highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies. 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spelling 2025-06-02T12:03:59.6611472 v2 69609 2025-06-02 Asparagine-modified magnetic graphene oxide as efficient green nanocatalyst for synthesis of chromenes and pyrano pyrazoles derivatives. 547fd5929a2fd30733277eca799fbf9b Saeid Khodabakhshi Saeid Khodabakhshi true false 2025-06-02 EAAS The primary focus of this study involved the fabrication of a novel nanocatalyst Fe O -supported asparagine functionalized graphene oxide Fe O @GO-N-(Asparagine). The catalyst was synthesized through a four-step procedure. The chemical composition of Fe O @GO-N-(Asparagine) was examined using various analytical methods, including scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA) and a Raman. The Fe O @GO-N-(Asparagine) catalyst demonstrated remarkable catalytic action in the synthesis of 5-oxo-dihydropyrano[3,2-c]chromenes as well as dihydropyrano[2,3-c]pyrazole derivatives. The protocol offered several benefits, including short reaction times, the utilization of green solvents, outstanding product yields, and a straightforward work-up procedure. Eventually, density functional theory (DFT) computations were utilized to calculate several parameters, including energy levels, electrostatic potential, and chemical reactivity descriptors based on highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies. Based on the calculations obtained from DFT, it was determined that the type and position of functional groups on the synthesized compounds had the most significant impact on the calculations. Journal Article Scientific reports 15 1 17252 Springer Nature 2045-2322 Fe3O4-Magnetized N-(asparagine)-functionalized graphene oxide, Magnetic nano catalyst, Graphene oxide, Pyrano[3,2-c]chromenes, Dihydropyrano[2,3-c]pyrazole, Density functional theorycomputations 18 5 2025 2025-05-18 10.1038/s41598-025-00777-x COLLEGE NANME Engineering and Applied Sciences School COLLEGE CODE EAAS Swansea University Another institution paid the OA fee The authors are grateful to Bu-Ali Sina University’s Research Council for funding this research. They also express their gratitude to the Technical University of Liberec on Student Grant Competition SGS-2025-3580. In addition, this work was partially funded by MEYS project No. CZ.02.01.01/00/22_008/0004617 (Eco&Stor) and received support from the European Union’s HORIZON EUROPE WIDERA 2021 program under the SURRI project (Grant Agreement No. 101079345). 2025-06-02T12:03:59.6611472 2025-06-02T11:55:36.4278124 Faculty of Science and Engineering School of Engineering and Applied Sciences - Chemical Engineering Masoud Khaleghiabbasabadi 1 Davood Azarifar 2 Hadi Taghavian 3 Hadi Hematian 4 Daniele Silvestri 5 Bohuslav Rezek 6 Behrokh Bahrami 7 Saeid Khodabakhshi 8 69609__34370__54839473d2eb4209a66d4247ba177808.pdf 69609.VoR.pdf 2025-06-02T12:00:37.2133144 Output 4902959 application/pdf Version of Record true © The Author(s) 2025. This article is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. true eng http://creativecommons.org/licenses/by-nc-nd/4.0/
title Asparagine-modified magnetic graphene oxide as efficient green nanocatalyst for synthesis of chromenes and pyrano pyrazoles derivatives.
spellingShingle Asparagine-modified magnetic graphene oxide as efficient green nanocatalyst for synthesis of chromenes and pyrano pyrazoles derivatives.
Saeid Khodabakhshi
title_short Asparagine-modified magnetic graphene oxide as efficient green nanocatalyst for synthesis of chromenes and pyrano pyrazoles derivatives.
title_full Asparagine-modified magnetic graphene oxide as efficient green nanocatalyst for synthesis of chromenes and pyrano pyrazoles derivatives.
title_fullStr Asparagine-modified magnetic graphene oxide as efficient green nanocatalyst for synthesis of chromenes and pyrano pyrazoles derivatives.
title_full_unstemmed Asparagine-modified magnetic graphene oxide as efficient green nanocatalyst for synthesis of chromenes and pyrano pyrazoles derivatives.
title_sort Asparagine-modified magnetic graphene oxide as efficient green nanocatalyst for synthesis of chromenes and pyrano pyrazoles derivatives.
author_id_str_mv 547fd5929a2fd30733277eca799fbf9b
author_id_fullname_str_mv 547fd5929a2fd30733277eca799fbf9b_***_Saeid Khodabakhshi
author Saeid Khodabakhshi
author2 Masoud Khaleghiabbasabadi
Davood Azarifar
Hadi Taghavian
Hadi Hematian
Daniele Silvestri
Bohuslav Rezek
Behrokh Bahrami
Saeid Khodabakhshi
format Journal article
container_title Scientific reports
container_volume 15
container_issue 1
container_start_page 17252
publishDate 2025
institution Swansea University
issn 2045-2322
doi_str_mv 10.1038/s41598-025-00777-x
publisher Springer Nature
college_str Faculty of Science and Engineering
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hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Engineering and Applied Sciences - Chemical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Chemical Engineering
document_store_str 1
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description The primary focus of this study involved the fabrication of a novel nanocatalyst Fe O -supported asparagine functionalized graphene oxide Fe O @GO-N-(Asparagine). The catalyst was synthesized through a four-step procedure. The chemical composition of Fe O @GO-N-(Asparagine) was examined using various analytical methods, including scanning electron microscopy (SEM), energy-dispersive X-ray (EDX), Fourier transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA) and a Raman. The Fe O @GO-N-(Asparagine) catalyst demonstrated remarkable catalytic action in the synthesis of 5-oxo-dihydropyrano[3,2-c]chromenes as well as dihydropyrano[2,3-c]pyrazole derivatives. The protocol offered several benefits, including short reaction times, the utilization of green solvents, outstanding product yields, and a straightforward work-up procedure. Eventually, density functional theory (DFT) computations were utilized to calculate several parameters, including energy levels, electrostatic potential, and chemical reactivity descriptors based on highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energies. Based on the calculations obtained from DFT, it was determined that the type and position of functional groups on the synthesized compounds had the most significant impact on the calculations.
published_date 2025-05-18T05:29:05Z
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