Redox pathways of aliskiren based on experimental and computational approach and its voltammetric determination
Autor(a) principal: | |
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Data de Publicação: | 2013 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Journal of the Brazilian Chemical Society (Online) |
Texto Completo: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532013000800008 |
Resumo: | Electrochemical behavior of aliskiren (ALS) was studied via experimental electrochemical methods and theoretical calculations performed at B3LYP/6-31+G (d)//AM1. Cyclic voltammetry studies were carried out based on the adsorption-controlled reversible reduction at ca. -1.5 V on hanging mercury drop electrode (HMDE) and irreversible electrochemical oxidation of ALS at ca. 1.0 V on glassy carbon electrode (GCE), vs. Ag/AgCl, KCl (3.0 mol L-1), in Britton-Robinson buffer at pH 10 and 8, respectively. According to computational and experimental findings, ALS is expected to be oxidized irreversibly at benzylic position and reduced reversibly at amide carbonyl groups. Voltammetric methods with and without adsorptive stripping mode were developed and validated for quantification of ALS in different samples. Limits of detection and of quantification for ALS were 6.3 × 10-8 and 2.1 × 10-7 mol L-1 for differential pulse voltammetry on HMDE and 1.2 × 10-8 and 3.9 × 10-8 mol L-1 for square-wave cathodic adsorptive stripping voltammetry. The methods were successfully applied to assay the drug in tablets and human serum with good recoveries, between 91.7 and 102.3%, having relative standard deviation less than 10%. |
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Redox pathways of aliskiren based on experimental and computational approach and its voltammetric determinationaliskirendensity functional theoryelectrochemical behaviorelectrode mechanismHOMO-LUMOvoltammetric determinationElectrochemical behavior of aliskiren (ALS) was studied via experimental electrochemical methods and theoretical calculations performed at B3LYP/6-31+G (d)//AM1. Cyclic voltammetry studies were carried out based on the adsorption-controlled reversible reduction at ca. -1.5 V on hanging mercury drop electrode (HMDE) and irreversible electrochemical oxidation of ALS at ca. 1.0 V on glassy carbon electrode (GCE), vs. Ag/AgCl, KCl (3.0 mol L-1), in Britton-Robinson buffer at pH 10 and 8, respectively. According to computational and experimental findings, ALS is expected to be oxidized irreversibly at benzylic position and reduced reversibly at amide carbonyl groups. Voltammetric methods with and without adsorptive stripping mode were developed and validated for quantification of ALS in different samples. Limits of detection and of quantification for ALS were 6.3 × 10-8 and 2.1 × 10-7 mol L-1 for differential pulse voltammetry on HMDE and 1.2 × 10-8 and 3.9 × 10-8 mol L-1 for square-wave cathodic adsorptive stripping voltammetry. The methods were successfully applied to assay the drug in tablets and human serum with good recoveries, between 91.7 and 102.3%, having relative standard deviation less than 10%.Sociedade Brasileira de Química2013-08-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532013000800008Journal of the Brazilian Chemical Society v.24 n.8 2013reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.5935/0103-5053.20130162info:eu-repo/semantics/openAccessPamuk,DenizTaşdemir,İbrahim HüdaiEce,AbdulilahCanel,EsinKılıç,Esmaeng2015-07-21T00:00:00Zoai:scielo:S0103-50532013000800008Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2015-07-21T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false |
dc.title.none.fl_str_mv |
Redox pathways of aliskiren based on experimental and computational approach and its voltammetric determination |
title |
Redox pathways of aliskiren based on experimental and computational approach and its voltammetric determination |
spellingShingle |
Redox pathways of aliskiren based on experimental and computational approach and its voltammetric determination Pamuk,Deniz aliskiren density functional theory electrochemical behavior electrode mechanism HOMO-LUMO voltammetric determination |
title_short |
Redox pathways of aliskiren based on experimental and computational approach and its voltammetric determination |
title_full |
Redox pathways of aliskiren based on experimental and computational approach and its voltammetric determination |
title_fullStr |
Redox pathways of aliskiren based on experimental and computational approach and its voltammetric determination |
title_full_unstemmed |
Redox pathways of aliskiren based on experimental and computational approach and its voltammetric determination |
title_sort |
Redox pathways of aliskiren based on experimental and computational approach and its voltammetric determination |
author |
Pamuk,Deniz |
author_facet |
Pamuk,Deniz Taşdemir,İbrahim Hüdai Ece,Abdulilah Canel,Esin Kılıç,Esma |
author_role |
author |
author2 |
Taşdemir,İbrahim Hüdai Ece,Abdulilah Canel,Esin Kılıç,Esma |
author2_role |
author author author author |
dc.contributor.author.fl_str_mv |
Pamuk,Deniz Taşdemir,İbrahim Hüdai Ece,Abdulilah Canel,Esin Kılıç,Esma |
dc.subject.por.fl_str_mv |
aliskiren density functional theory electrochemical behavior electrode mechanism HOMO-LUMO voltammetric determination |
topic |
aliskiren density functional theory electrochemical behavior electrode mechanism HOMO-LUMO voltammetric determination |
description |
Electrochemical behavior of aliskiren (ALS) was studied via experimental electrochemical methods and theoretical calculations performed at B3LYP/6-31+G (d)//AM1. Cyclic voltammetry studies were carried out based on the adsorption-controlled reversible reduction at ca. -1.5 V on hanging mercury drop electrode (HMDE) and irreversible electrochemical oxidation of ALS at ca. 1.0 V on glassy carbon electrode (GCE), vs. Ag/AgCl, KCl (3.0 mol L-1), in Britton-Robinson buffer at pH 10 and 8, respectively. According to computational and experimental findings, ALS is expected to be oxidized irreversibly at benzylic position and reduced reversibly at amide carbonyl groups. Voltammetric methods with and without adsorptive stripping mode were developed and validated for quantification of ALS in different samples. Limits of detection and of quantification for ALS were 6.3 × 10-8 and 2.1 × 10-7 mol L-1 for differential pulse voltammetry on HMDE and 1.2 × 10-8 and 3.9 × 10-8 mol L-1 for square-wave cathodic adsorptive stripping voltammetry. The methods were successfully applied to assay the drug in tablets and human serum with good recoveries, between 91.7 and 102.3%, having relative standard deviation less than 10%. |
publishDate |
2013 |
dc.date.none.fl_str_mv |
2013-08-01 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532013000800008 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532013000800008 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.5935/0103-5053.20130162 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
dc.publisher.none.fl_str_mv |
Sociedade Brasileira de Química |
publisher.none.fl_str_mv |
Sociedade Brasileira de Química |
dc.source.none.fl_str_mv |
Journal of the Brazilian Chemical Society v.24 n.8 2013 reponame:Journal of the Brazilian Chemical Society (Online) instname:Sociedade Brasileira de Química (SBQ) instacron:SBQ |
instname_str |
Sociedade Brasileira de Química (SBQ) |
instacron_str |
SBQ |
institution |
SBQ |
reponame_str |
Journal of the Brazilian Chemical Society (Online) |
collection |
Journal of the Brazilian Chemical Society (Online) |
repository.name.fl_str_mv |
Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ) |
repository.mail.fl_str_mv |
||office@jbcs.sbq.org.br |
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1750318175235342336 |