Gold Nanorod Surface-Enhanced Raman Spectroscopy Substrate for l-DOPA Detection: Experimental and Theoretical Approaches

Experimental efforts aimed at detecting levodopa (l-DOPA) using surface-enhanced Raman scattering (SERS) face a persistent challenge in obtaining a SERS signal with negatively charged nanoparticles. This challenge stems from the repulsion between deprotonated l-DOPA in aqueous solution and the charg...

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Autores: de Oliveira, Tatiana Ap. [UNESP], S. Martin, Cibely [UNESP], J.G. Rubira, Rafael [UNESP], de Barros, Anerise, Mazali, Italo O., Zidoi, Luiz P. [UNESP], Batagin-Neto, Augusto [UNESP], Constantino, Carlos J.L. [UNESP]
Formato: artículo
Estado:Versión publicada
Fecha de publicación:2025
País:Brasil
Recursos:Universidade Estadual Paulista (UNESP)
Repositorio:Repositório Institucional da UNESP
Idioma:inglés
OAI Identifier:oai:repositorio.unesp.br:11449/300858
Acesso em linha:http://dx.doi.org/10.1177/00037028251315208
https://hdl.handle.net/11449/300858
Access Level:acceso abierto
Palavra-chave:density functional theory
detection
DFT
gold nanoparticles
l-DOPA
SERS
surface-enhanced Raman spectroscopy
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spelling Gold Nanorod Surface-Enhanced Raman Spectroscopy Substrate for l-DOPA Detection: Experimental and Theoretical Approachesdensity functional theorydetectionDFTgold nanoparticlesl-DOPASERSsurface-enhanced Raman spectroscopyExperimental efforts aimed at detecting levodopa (l-DOPA) using surface-enhanced Raman scattering (SERS) face a persistent challenge in obtaining a SERS signal with negatively charged nanoparticles. This challenge stems from the repulsion between deprotonated l-DOPA in aqueous solution and the charged surface of the nanoparticles, revealing dependencies on time and concentration to achieve the SERS signal. This study explores the adsorption mechanism of l-DOPA on the surface of gold nanorods (AuNRs) covered with a cetrimonium bromide (CTAB) bilayer as a colloidal solution, subsequently dried onto a solid substrate such as glass, silicon, and Au substrate. Experimental findings are supported by density functional theory theoretical calculations. The comparison between experimental and theoretical results highlights that the SERS profile can be attributed to the adsorption of l-DOPA via the catechol ring, leading to the formation of anionic and dianionic species.School of Technology and Sciences São Paulo State University (UNESP), SPSchool of Engineering São Paulo State University (UNESP), SPInstitute of Geosciences and Exact Sciences (IGCE) São Paulo State University (UNESP), SPLaboratory of Functional Materials Institute of Chemistry University of Campinas (UNICAMP), SPSchool of Sciences São Paulo State University (UNESP), SPInstitute of Sciences and Engineering São Paulo State University (UNESP), SPSchool of Technology and Sciences São Paulo State University (UNESP), SPSchool of Engineering São Paulo State University (UNESP), SPInstitute of Geosciences and Exact Sciences (IGCE) São Paulo State University (UNESP), SPSchool of Sciences São Paulo State University (UNESP), SPInstitute of Sciences and Engineering São Paulo State University (UNESP), SPUniversidade Estadual Paulista (UNESP)Universidade Estadual de Campinas (UNICAMP)2025-04-29T18:56:35Z2025-01-01info:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articlehttp://dx.doi.org/10.1177/00037028251315208Applied Spectroscopy.1943-35300003-7028https://hdl.handle.net/11449/30085810.1177/000370282513152082-s2.0-85217166428Scopusreponame:Repositório Institucional da UNESPinstname:Universidade Estadual Paulista (UNESP)instacron:UNESPengApplied Spectroscopyinfo:eu-repo/semantics/openAccessde Oliveira, Tatiana Ap. [UNESP]S. Martin, Cibely [UNESP]J.G. Rubira, Rafael [UNESP]de Barros, AneriseMazali, Italo O.Zidoi, Luiz P. [UNESP]Batagin-Neto, Augusto [UNESP]Constantino, Carlos J.L. [UNESP]2025-10-22T17:07:23Zoai:repositorio.unesp.br:11449/300858Repositório InstitucionalPUBhttp://repositorio.unesp.br/oai/requestrepositoriounesp@unesp.bropendoar:29462025-10-22T17:07:23Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)false
dc.title.none.fl_str_mv Gold Nanorod Surface-Enhanced Raman Spectroscopy Substrate for l-DOPA Detection: Experimental and Theoretical Approaches
title Gold Nanorod Surface-Enhanced Raman Spectroscopy Substrate for l-DOPA Detection: Experimental and Theoretical Approaches
spellingShingle Gold Nanorod Surface-Enhanced Raman Spectroscopy Substrate for l-DOPA Detection: Experimental and Theoretical Approaches
de Oliveira, Tatiana Ap. [UNESP]
density functional theory
detection
DFT
gold nanoparticles
l-DOPA
SERS
surface-enhanced Raman spectroscopy
title_short Gold Nanorod Surface-Enhanced Raman Spectroscopy Substrate for l-DOPA Detection: Experimental and Theoretical Approaches
title_full Gold Nanorod Surface-Enhanced Raman Spectroscopy Substrate for l-DOPA Detection: Experimental and Theoretical Approaches
title_fullStr Gold Nanorod Surface-Enhanced Raman Spectroscopy Substrate for l-DOPA Detection: Experimental and Theoretical Approaches
title_full_unstemmed Gold Nanorod Surface-Enhanced Raman Spectroscopy Substrate for l-DOPA Detection: Experimental and Theoretical Approaches
title_sort Gold Nanorod Surface-Enhanced Raman Spectroscopy Substrate for l-DOPA Detection: Experimental and Theoretical Approaches
dc.creator.none.fl_str_mv de Oliveira, Tatiana Ap. [UNESP]
S. Martin, Cibely [UNESP]
J.G. Rubira, Rafael [UNESP]
de Barros, Anerise
Mazali, Italo O.
Zidoi, Luiz P. [UNESP]
Batagin-Neto, Augusto [UNESP]
Constantino, Carlos J.L. [UNESP]
author de Oliveira, Tatiana Ap. [UNESP]
author_facet de Oliveira, Tatiana Ap. [UNESP]
S. Martin, Cibely [UNESP]
J.G. Rubira, Rafael [UNESP]
de Barros, Anerise
Mazali, Italo O.
Zidoi, Luiz P. [UNESP]
Batagin-Neto, Augusto [UNESP]
Constantino, Carlos J.L. [UNESP]
author_role author
author2 S. Martin, Cibely [UNESP]
J.G. Rubira, Rafael [UNESP]
de Barros, Anerise
Mazali, Italo O.
Zidoi, Luiz P. [UNESP]
Batagin-Neto, Augusto [UNESP]
Constantino, Carlos J.L. [UNESP]
author2_role author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universidade Estadual Paulista (UNESP)
Universidade Estadual de Campinas (UNICAMP)
dc.subject.por.fl_str_mv density functional theory
detection
DFT
gold nanoparticles
l-DOPA
SERS
surface-enhanced Raman spectroscopy
topic density functional theory
detection
DFT
gold nanoparticles
l-DOPA
SERS
surface-enhanced Raman spectroscopy
description Experimental efforts aimed at detecting levodopa (l-DOPA) using surface-enhanced Raman scattering (SERS) face a persistent challenge in obtaining a SERS signal with negatively charged nanoparticles. This challenge stems from the repulsion between deprotonated l-DOPA in aqueous solution and the charged surface of the nanoparticles, revealing dependencies on time and concentration to achieve the SERS signal. This study explores the adsorption mechanism of l-DOPA on the surface of gold nanorods (AuNRs) covered with a cetrimonium bromide (CTAB) bilayer as a colloidal solution, subsequently dried onto a solid substrate such as glass, silicon, and Au substrate. Experimental findings are supported by density functional theory theoretical calculations. The comparison between experimental and theoretical results highlights that the SERS profile can be attributed to the adsorption of l-DOPA via the catechol ring, leading to the formation of anionic and dianionic species.
publishDate 2025
dc.date.none.fl_str_mv 2025-04-29T18:56:35Z
2025-01-01
dc.type.status.fl_str_mv info:eu-repo/semantics/publishedVersion
dc.type.driver.fl_str_mv info:eu-repo/semantics/article
format article
status_str publishedVersion
dc.identifier.uri.fl_str_mv http://dx.doi.org/10.1177/00037028251315208
Applied Spectroscopy.
1943-3530
0003-7028
https://hdl.handle.net/11449/300858
10.1177/00037028251315208
2-s2.0-85217166428
url http://dx.doi.org/10.1177/00037028251315208
https://hdl.handle.net/11449/300858
identifier_str_mv Applied Spectroscopy.
1943-3530
0003-7028
10.1177/00037028251315208
2-s2.0-85217166428
dc.language.iso.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv Applied Spectroscopy
dc.rights.driver.fl_str_mv info:eu-repo/semantics/openAccess
eu_rights_str_mv openAccess
dc.source.none.fl_str_mv Scopus
reponame:Repositório Institucional da UNESP
instname:Universidade Estadual Paulista (UNESP)
instacron:UNESP
instname_str Universidade Estadual Paulista (UNESP)
instacron_str UNESP
institution UNESP
reponame_str Repositório Institucional da UNESP
collection Repositório Institucional da UNESP
repository.name.fl_str_mv Repositório Institucional da UNESP - Universidade Estadual Paulista (UNESP)
repository.mail.fl_str_mv repositoriounesp@unesp.br
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score 15,198674

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