Adsorption properties of dopamine derivatives using carbon nanotubes: A first-principles study
Detecting dopamine is of great biological importance because the molecule plays many roles in the human body. For instance, the lack of dopamine release is the cause of Parkinson's disease. Although many researchers have carried out experiments on dopamine detection using carbon nanotubes (CNTs...
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| description | Detecting dopamine is of great biological importance because the molecule plays many roles in the human body. For instance, the lack of dopamine release is the cause of Parkinson's disease. Although many researchers have carried out experiments on dopamine detection using carbon nanotubes (CNTs), there are only a few theoretical studies on this topic. We study the adsorption properties of dopamine and its derivatives, L-DOPA and dopamine o-quinone, adsorbed on a semiconducting (10, 0) CNT, using density functional theory calculations. Our computational simulations reveal that localized states originating from dopamine o-quinone appear in the bandgap of the (10, 0) CNT, but those originating from dopamine and L-DOPA do not appear in the gap. Therefore, dopamine o-quinone is expected to be detectable using an external electric field but dopamine and L-DOPA should be difficult to detect. |
| doi_str_mv | 10.48550/arxiv.2001.11627 |
| format | Article |
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Therefore, dopamine o-quinone is expected to be detectable using an external electric field but dopamine and L-DOPA should be difficult to detect.</description><subject>Adsorption</subject><subject>Carbon nanotubes</subject><subject>Computer simulation</subject><subject>Density functional theory</subject><subject>Derivatives</subject><subject>Dopamine</subject><subject>Electric fields</subject><subject>First principles</subject><subject>Parkinson's disease</subject><subject>Physics - Applied Physics</subject><subject>Physics - Mesoscale and Nanoscale Physics</subject><subject>Quinones</subject><issn>2331-8422</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2020</creationdate><recordtype>article</recordtype><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>GOX</sourceid><recordid>eNotkE1rAyEYhKVQaEjzA3qq0POm-qq72lsI_YJALzl30ajFkLhbdZfm33eb9DQwPAwzg9AdJUsuhSCPOv2EcQmE0CWlNTRXaAaM0UpygBu0yHlPCIG6ASHYDH2ubO5SX0IXcZ-63qUSXMadx7br9TFEh61LYdQljJM_5BC_8E4nM_FRx64MxuUnvMI-pFyqPoW4C_1hQnMZ7OkWXXt9yG7xr3O0fXnert-qzcfr-3q1qbQAVTEra9-Y2mhOhJWK-Jr72jEtmVHOEAGGUt6whhsubKMVgFHUM6tqBw40m6P7S-x5fDu1OOp0av9OaM8nTMTDhZhGfg8ul3bfDSlOnVpgglAJXCr2C0ohYK8</recordid><startdate>20200131</startdate><enddate>20200131</enddate><creator>Kim, Heeju</creator><creator>Gunn, Kim</creator><general>Cornell University Library, arXiv.org</general><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>L6V</scope><scope>M7S</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PTHSS</scope><scope>GOX</scope></search><sort><creationdate>20200131</creationdate><title>Adsorption properties of dopamine derivatives using carbon nanotubes: A first-principles study</title><author>Kim, Heeju ; Gunn, Kim</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a529-3d86f7b6ba405d890f64f6e3a83b9eb052b1147374b45d7a922b91f3d96e2e2a3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2020</creationdate><topic>Adsorption</topic><topic>Carbon nanotubes</topic><topic>Computer simulation</topic><topic>Density functional theory</topic><topic>Derivatives</topic><topic>Dopamine</topic><topic>Electric fields</topic><topic>First principles</topic><topic>Parkinson's disease</topic><topic>Physics - Applied Physics</topic><topic>Physics - Mesoscale and Nanoscale Physics</topic><topic>Quinones</topic><toplevel>online_resources</toplevel><creatorcontrib>Kim, Heeju</creatorcontrib><creatorcontrib>Gunn, Kim</creatorcontrib><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central Korea</collection><collection>SciTech Premium Collection</collection><collection>ProQuest Engineering Collection</collection><collection>Engineering Database</collection><collection>Publicly Available Content Database</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>Engineering Collection</collection><collection>arXiv.org</collection><jtitle>arXiv.org</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kim, Heeju</au><au>Gunn, Kim</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Adsorption properties of dopamine derivatives using carbon nanotubes: A first-principles study</atitle><jtitle>arXiv.org</jtitle><date>2020-01-31</date><risdate>2020</risdate><eissn>2331-8422</eissn><abstract>Detecting dopamine is of great biological importance because the molecule plays many roles in the human body. For instance, the lack of dopamine release is the cause of Parkinson's disease. Although many researchers have carried out experiments on dopamine detection using carbon nanotubes (CNTs), there are only a few theoretical studies on this topic. We study the adsorption properties of dopamine and its derivatives, L-DOPA and dopamine o-quinone, adsorbed on a semiconducting (10, 0) CNT, using density functional theory calculations. Our computational simulations reveal that localized states originating from dopamine o-quinone appear in the bandgap of the (10, 0) CNT, but those originating from dopamine and L-DOPA do not appear in the gap. Therefore, dopamine o-quinone is expected to be detectable using an external electric field but dopamine and L-DOPA should be difficult to detect.</abstract><cop>Ithaca</cop><pub>Cornell University Library, arXiv.org</pub><doi>10.48550/arxiv.2001.11627</doi><oa>free_for_read</oa></addata></record> |
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| subjects | Adsorption Carbon nanotubes Computer simulation Density functional theory Derivatives Dopamine Electric fields First principles Parkinson's disease Physics - Applied Physics Physics - Mesoscale and Nanoscale Physics Quinones |
| title | Adsorption properties of dopamine derivatives using carbon nanotubes: A first-principles study |
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