Theoretical and Cyclic Voltammetric Analysis of Asparagine and Glutamine Electrocatalytic Activities for Dopamine Sensing Applications
The molecular dynamics and density functional theory (DFT) can be applied to discriminate electrocatalyst’s electron transfer (ET) properties. It will be interesting to discriminate the ET properties of green electrocatalysts such as amino acids. Here, we have used DFT to compare the electrocatalyti...
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MDPI AG
2023-01-01
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| Series: | Catalysts |
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| Online Access: | https://www.mdpi.com/2073-4344/13/1/100 |
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| author | Gururaj Kudur Jayaprakash B. E. Kumara Swamy Roberto Flores-Moreno Kayim Pineda-Urbina |
| author_facet | Gururaj Kudur Jayaprakash B. E. Kumara Swamy Roberto Flores-Moreno Kayim Pineda-Urbina |
| author_sort | Gururaj Kudur Jayaprakash |
| collection | DOAJ |
| description | The molecular dynamics and density functional theory (DFT) can be applied to discriminate electrocatalyst’s electron transfer (ET) properties. It will be interesting to discriminate the ET properties of green electrocatalysts such as amino acids. Here, we have used DFT to compare the electrocatalytic abilities of asparagine and glutamine at the carbon paste electrode interface. Cyclic voltammetric results reveal that the electrocatalytic activities of aspargine are higher than glutamine for dopamine sensing. Dopamine requires less energy to bind with asparagine when compared to glutamine. Additionally, asparagine has higher electron-donating and accepting powers. Therefore, asparagine has a higher electrocatalytic activity than glutamine—the ability for the asparagine and glutamine carbon electrodes to detect dopamine in commercial injection, and to obtain satisfactory results. As a part of the work, we have also studied dopamine interaction with the modified carbon surface using molecular dynamics. |
| first_indexed | 2024-03-09T13:14:31Z |
| format | Article |
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| issn | 2073-4344 |
| language | English |
| last_indexed | 2024-03-09T13:14:31Z |
| publishDate | 2023-01-01 |
| publisher | MDPI AG |
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| spelling | doaj.art-61715e79f4a34d408a78c498d2355c772023-11-30T21:37:16ZengMDPI AGCatalysts2073-43442023-01-0113110010.3390/catal13010100Theoretical and Cyclic Voltammetric Analysis of Asparagine and Glutamine Electrocatalytic Activities for Dopamine Sensing ApplicationsGururaj Kudur Jayaprakash0B. E. Kumara Swamy1Roberto Flores-Moreno2Kayim Pineda-Urbina3Department of Chemistry, Nitte Meenakshi Institute of Technology, Bangalore 560064, IndiaDepartment of P.G. Studies and Research in Industrial Chemistry, Kuvempu University, Shimoga 577451, IndiaDepartamento de Química, Centro Universitario de Ciencias Exactas e Ingenierías, Universidad Guadalajara, Blvd. Marcelino García Barragán 1421, Guadalajara C.P. 44430, Jalisco, MexicoFacultad de Ciencias Químicas, Universidad de Colima, Carr. Colima-Coquimatlán, km. 9, Coquimatlán C.P. 28400, Colima, MexicoThe molecular dynamics and density functional theory (DFT) can be applied to discriminate electrocatalyst’s electron transfer (ET) properties. It will be interesting to discriminate the ET properties of green electrocatalysts such as amino acids. Here, we have used DFT to compare the electrocatalytic abilities of asparagine and glutamine at the carbon paste electrode interface. Cyclic voltammetric results reveal that the electrocatalytic activities of aspargine are higher than glutamine for dopamine sensing. Dopamine requires less energy to bind with asparagine when compared to glutamine. Additionally, asparagine has higher electron-donating and accepting powers. Therefore, asparagine has a higher electrocatalytic activity than glutamine—the ability for the asparagine and glutamine carbon electrodes to detect dopamine in commercial injection, and to obtain satisfactory results. As a part of the work, we have also studied dopamine interaction with the modified carbon surface using molecular dynamics.https://www.mdpi.com/2073-4344/13/1/100catalystsanalytical FukuiDFTredox |
| spellingShingle | Gururaj Kudur Jayaprakash B. E. Kumara Swamy Roberto Flores-Moreno Kayim Pineda-Urbina Theoretical and Cyclic Voltammetric Analysis of Asparagine and Glutamine Electrocatalytic Activities for Dopamine Sensing Applications Catalysts catalysts analytical Fukui DFT redox |
| title | Theoretical and Cyclic Voltammetric Analysis of Asparagine and Glutamine Electrocatalytic Activities for Dopamine Sensing Applications |
| title_full | Theoretical and Cyclic Voltammetric Analysis of Asparagine and Glutamine Electrocatalytic Activities for Dopamine Sensing Applications |
| title_fullStr | Theoretical and Cyclic Voltammetric Analysis of Asparagine and Glutamine Electrocatalytic Activities for Dopamine Sensing Applications |
| title_full_unstemmed | Theoretical and Cyclic Voltammetric Analysis of Asparagine and Glutamine Electrocatalytic Activities for Dopamine Sensing Applications |
| title_short | Theoretical and Cyclic Voltammetric Analysis of Asparagine and Glutamine Electrocatalytic Activities for Dopamine Sensing Applications |
| title_sort | theoretical and cyclic voltammetric analysis of asparagine and glutamine electrocatalytic activities for dopamine sensing applications |
| topic | catalysts analytical Fukui DFT redox |
| url | https://www.mdpi.com/2073-4344/13/1/100 |
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