Citric acid based (CQDs/TiO2) nanocomposites against SARS-COV-2: theoretical, photocatalytic and computational studies
Abstract In the last decade, carbon quantum dots (CQDs), a novel class of carbon-based nanomaterials, have received increasing attention due to their distinct properties. Carbon Quantum Dots/Titanium Dioxide (CQDs/TiO2) Nanocomposites were reported as potent compounds against SARS-COV-2. In this man...
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Springer
2024-12-01
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| Series: | Discover Nano |
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| Online Access: | https://doi.org/10.1186/s11671-024-04117-2 |
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| author | Joina Gunjan Singh Ankit Kumar Singh Nurul Hidayah Mohamad Idris Nattasa Kitchawengkul Purim Jarujamrus Hooi Ling Lee Maria Grishina Nadezhda Palko Prateek Pathak Amita Verma |
| author_facet | Joina Gunjan Singh Ankit Kumar Singh Nurul Hidayah Mohamad Idris Nattasa Kitchawengkul Purim Jarujamrus Hooi Ling Lee Maria Grishina Nadezhda Palko Prateek Pathak Amita Verma |
| author_sort | Joina Gunjan Singh |
| collection | DOAJ |
| description | Abstract In the last decade, carbon quantum dots (CQDs), a novel class of carbon-based nanomaterials, have received increasing attention due to their distinct properties. Carbon Quantum Dots/Titanium Dioxide (CQDs/TiO2) Nanocomposites were reported as potent compounds against SARS-COV-2. In this manuscript, citric acid is the carbon precursor used to synthesize carbon quantum dots (CQDs). Using a green approach, the synthesized CQD fabricates the Carbon Quantum Dots/Titanium Dioxide (CQDs/TiO2) Nanocomposites. Synthesized composites were characterized by using a UV–visible spectrophotometer, Fourier-transformed infrared (FTIR) spectrometry, X-ray diffractometry (XRD), and Scanning electron microscopy with energy dispersive X-ray analysis (SEM–EDX). Methylene blue was used to check the Photocatalytic activity of synthesized (CQDs/TiO2) nanocomposites of different concentrations. Computational modeling of agglomerates of CQD and TiO2 nanoparticles with the formula TiO2…….. Ti253O506 demonstrated two stages of the nanocomposite formation, including the formation of agglomerates with the neutral and salt-like structures with the total gain in the Gibbs free energy − 38.397 kcal/mole. In silico, Molecular docking studies of citric acid were evaluated against SARS-COV-2 protein to understand their mechanism and key amino acid interactions along with standard drug remdesivir. The photocatalytic activity of CQDs/TiO2 showed extremely promising results. Based on this study, the proposed mechanism of action of these compounds is reported. A detailed investigation of CQDs/TiO2 against SARS-CoV-2 is needed, which is another part of the research in our next manuscript. |
| format | Article |
| id | doaj-art-1d4e6fa24f1744dcaebcb506046a9db1 |
| institution | OA Journals |
| issn | 2731-9229 |
| language | English |
| publishDate | 2024-12-01 |
| publisher | Springer |
| record_format | Article |
| series | Discover Nano |
| spelling | doaj-art-1d4e6fa24f1744dcaebcb506046a9db12025-08-20T02:20:40ZengSpringerDiscover Nano2731-92292024-12-0119111610.1186/s11671-024-04117-2Citric acid based (CQDs/TiO2) nanocomposites against SARS-COV-2: theoretical, photocatalytic and computational studiesJoina Gunjan Singh0Ankit Kumar Singh1Nurul Hidayah Mohamad Idris2Nattasa Kitchawengkul3Purim Jarujamrus4Hooi Ling Lee5Maria Grishina6Nadezhda Palko7Prateek Pathak8Amita Verma9Bioorganic and Medicinal Chemistry Research Laboratory, Department of Pharmaceutical Sciences, Sam Higginbottom University of Agriculture, Technology & SciencesBioorganic and Medicinal Chemistry Research Laboratory, Department of Pharmaceutical Sciences, Sam Higginbottom University of Agriculture, Technology & SciencesNanomaterials Research Group, School of Chemical Sciences, Universiti Sains Malaysia (USM)Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani UniversityDepartment of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani UniversityNanomaterials Research Group, School of Chemical Sciences, Universiti Sains Malaysia (USM)Laboratory of Computational Modelling of Drugs, Named After Potemkin V.A. of the South Ural State UniversityLaboratory of Computational Modelling of Drugs, Named After Potemkin V.A. of the South Ural State UniversityBioorganic and Medicinal Chemistry Research Laboratory, Department of Pharmaceutical Sciences, Sam Higginbottom University of Agriculture, Technology & SciencesBioorganic and Medicinal Chemistry Research Laboratory, Department of Pharmaceutical Sciences, Sam Higginbottom University of Agriculture, Technology & SciencesAbstract In the last decade, carbon quantum dots (CQDs), a novel class of carbon-based nanomaterials, have received increasing attention due to their distinct properties. Carbon Quantum Dots/Titanium Dioxide (CQDs/TiO2) Nanocomposites were reported as potent compounds against SARS-COV-2. In this manuscript, citric acid is the carbon precursor used to synthesize carbon quantum dots (CQDs). Using a green approach, the synthesized CQD fabricates the Carbon Quantum Dots/Titanium Dioxide (CQDs/TiO2) Nanocomposites. Synthesized composites were characterized by using a UV–visible spectrophotometer, Fourier-transformed infrared (FTIR) spectrometry, X-ray diffractometry (XRD), and Scanning electron microscopy with energy dispersive X-ray analysis (SEM–EDX). Methylene blue was used to check the Photocatalytic activity of synthesized (CQDs/TiO2) nanocomposites of different concentrations. Computational modeling of agglomerates of CQD and TiO2 nanoparticles with the formula TiO2…….. Ti253O506 demonstrated two stages of the nanocomposite formation, including the formation of agglomerates with the neutral and salt-like structures with the total gain in the Gibbs free energy − 38.397 kcal/mole. In silico, Molecular docking studies of citric acid were evaluated against SARS-COV-2 protein to understand their mechanism and key amino acid interactions along with standard drug remdesivir. The photocatalytic activity of CQDs/TiO2 showed extremely promising results. Based on this study, the proposed mechanism of action of these compounds is reported. A detailed investigation of CQDs/TiO2 against SARS-CoV-2 is needed, which is another part of the research in our next manuscript.https://doi.org/10.1186/s11671-024-04117-2Citric acidCQDs/TiO2NanocompositesSARS-COV-2Photocatalytic |
| spellingShingle | Joina Gunjan Singh Ankit Kumar Singh Nurul Hidayah Mohamad Idris Nattasa Kitchawengkul Purim Jarujamrus Hooi Ling Lee Maria Grishina Nadezhda Palko Prateek Pathak Amita Verma Citric acid based (CQDs/TiO2) nanocomposites against SARS-COV-2: theoretical, photocatalytic and computational studies Discover Nano Citric acid CQDs/TiO2 Nanocomposites SARS-COV-2 Photocatalytic |
| title | Citric acid based (CQDs/TiO2) nanocomposites against SARS-COV-2: theoretical, photocatalytic and computational studies |
| title_full | Citric acid based (CQDs/TiO2) nanocomposites against SARS-COV-2: theoretical, photocatalytic and computational studies |
| title_fullStr | Citric acid based (CQDs/TiO2) nanocomposites against SARS-COV-2: theoretical, photocatalytic and computational studies |
| title_full_unstemmed | Citric acid based (CQDs/TiO2) nanocomposites against SARS-COV-2: theoretical, photocatalytic and computational studies |
| title_short | Citric acid based (CQDs/TiO2) nanocomposites against SARS-COV-2: theoretical, photocatalytic and computational studies |
| title_sort | citric acid based cqds tio2 nanocomposites against sars cov 2 theoretical photocatalytic and computational studies |
| topic | Citric acid CQDs/TiO2 Nanocomposites SARS-COV-2 Photocatalytic |
| url | https://doi.org/10.1186/s11671-024-04117-2 |
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