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A simple electrochemical detection of atorvastatin based on disposable screen-printed carbon electrodes modified by molecularly imprinted polymer: Experiment and simulation

2022Journal article Restricted access
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dc.contributor.authorRebelo, Patrícia
dc.contributor.authorPacheco, João
dc.contributor.authorVoroshylova, Iuliia
dc.contributor.authorMelo, André
dc.contributor.authorCordeiro, M. Natália D.S.
dc.contributor.authorDelerue-Matos, Cristina
dc.date.accessioned2023-01-24T10:38:22Z
dc.date.embargo2035
dc.date.issued2022
dc.description.abstractAtorvastatin (ATV) is a statin member consumed in high quantities worldwide. In response to that, the occurrence of ATV in environmental waters has become a reality, highlighting the need of rapid and sensitive analytical devices for its monitoring. In this work, the first electrochemical molecularly imprinted polymer (MIP) sensor for the detection of ATV in water samples is presented. Computational studies were conducted based on quantum mechanical (QM) calculations and molecular dynamics (MD) simulations for rational selection of a suitable functional monomer and to study in detail the template-monomer interaction, respectively. The sensor was prepared by electropolymerisation of the selected 4-aminobenzoic acid (ABA) monomer with ATV, acting as template, on screen printed carbon electrode (SPCE). Cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS) techniques were applied to characterise the modified electrode surfaces. The quantitative measurements were carried out with differential pulse voltammetry (DPV) in 0.1 M phosphate buffer (pH = 7). After investigation and optimisation of important experimental parameters, a linear working range down to 0.05 μmol L−1 was determined with a correlation coefficient of 0.9996 and a limit of detection (LOD) as low as 0.049 μmol L−1 (S/N = 3). High sensitivity and selectivity of the prepared sensor were demonstrated with the ability to recognise ATV molecules over its closer structural analogues. Moreover, the sensor was quickly and successfully applied in spiked water samples, proving its potential for future on-site monitoring of ATV in environmental waters.pt_PT
dc.description.sponsorshipPatrícia Rebelo (SFRH/BD/132384/2017) and João Pacheco (SFRH/BPD/101419/2014) are grateful to Fundação para a Ciência e a Tecnologia (FCT) and European Union (EU) for their grants, financed by POPH-QREN-Tipologia 4.1-Formação Avançada, funded by Fundo Social Europeu (FSE) and Ministério da Ciência, Tecnologia e Ensino Superior (MCTES). The work was supported by the project Farmasense(39957) that was funded by Sistema de Incentivos à Investigação e Desenvolvimento Tecnológico de Portugal 2020, through the Programa Operacional do Norte (NORTE 2020) and the Fundo Europeu de Desenvolvimento Regional (FEDER). This work was further supported by UID/QUI/50006/2020 (LAQV-REQUIMTE) with funding from FCT/MCTES through national funds. The authors would like to thank the EU and FCT/UEFISCDI/FORMAS for funding, in the frame of the collaborative international consortium REWATER financed under the ERA-NET Cofund WaterWorks 2015 Call. This ERA-NET is an integral part of the 2016 Joint Activities developed by the Water Challenges for a Changing World Joint Programme Initiative (Water JPI).pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.doi10.1016/j.aca.2021.339410pt_PT
dc.identifier.urihttp://hdl.handle.net/10400.22/21813
dc.language.isoengpt_PT
dc.publisherElsevierpt_PT
dc.relation39957pt_PT
dc.relationComputer-aided design of molecular imprinted electrochemical sensors for analysis of pharmaceuticals in waters
dc.relationConstruction of point-of-care molecularly imprinted electrochemical devices for cancer biomarkers detection
dc.relation.publisherversionhttps://www.sciencedirect.com/science/article/pii/S0003267021012368?via%3Dihubpt_PT
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/pt_PT
dc.subjectStatinspt_PT
dc.subjectAtorvastatinpt_PT
dc.subjectElectropolymerisationpt_PT
dc.subjectElectrochemical sensorpt_PT
dc.subjectMolecularly imprinted polymerpt_PT
dc.subjectEnvironmental analysispt_PT
dc.titleA simple electrochemical detection of atorvastatin based on disposable screen-printed carbon electrodes modified by molecularly imprinted polymer: Experiment and simulationpt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleComputer-aided design of molecular imprinted electrochemical sensors for analysis of pharmaceuticals in waters
oaire.awardTitleConstruction of point-of-care molecularly imprinted electrochemical devices for cancer biomarkers detection
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBD%2F132384%2F2017/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT//SFRH%2FBPD%2F101419%2F2014/PT
oaire.citation.startPage339410pt_PT
oaire.citation.titleAnalytica Chimica Actapt_PT
oaire.citation.volume1194pt_PT
person.familyNameRebelo
person.familyNamePacheco
person.familyNameVoroshylova
person.familyNameDelerue-Matos
person.givenNamePatrícia
person.givenNameJoão
person.givenNameIuliia
person.givenNameCristina
person.identifier1825815
person.identifier.ciencia-id6112-1293-B25E
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person.identifier.ciencia-idA818-B61E-C498
person.identifier.ciencia-id9A1A-43FB-5C27
person.identifier.orcid0000-0001-5209-668X
person.identifier.orcid0000-0001-8366-0490
person.identifier.orcid0000-0003-2921-5155
person.identifier.orcid0000-0002-3924-776X
person.identifier.ridD-2163-2016
person.identifier.ridD-4990-2013
person.identifier.scopus-author-id35519962400
person.identifier.scopus-author-id37561950700
person.identifier.scopus-author-id6603741848
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
rcaap.rightsclosedAccesspt_PT
rcaap.typearticlept_PT
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