Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction
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| Datum vydání: | 2017 |
| Další autoři: | , , |
| Médium: | Article |
| Jazyk: | eng |
| Zdroj: | Repositório Institucional da UnB |
| Download full: | http://repositorio.unb.br/handle/10482/30694 http://dx.doi.org/10.21577/0103-5053.20170031 |
Shrnutí: | In this work, we compared 1.40 T nuclear magnetic resonance (NMR) to 7.05 T (60 and 300 MHz for proton, respectively), and mid-infrared with attenuated total reflectance (FTIR-ATR), associated with chemometrics methods, for the quantification of the reaction yield during esterification of fatty acids with methanol. The results showed that the integrated intensities of the ester C=O stretching region, relative to the total C=O stretching region, is useful to quantify the fatty acid methyl ester (FAME) concentration. Comparing the results obtained by the different final models: NMR (1.40 T and 7.05 T), FTIR-ATR using multivariate partial last squares regression (PLS) with orthogonal signal correction (OSC), and univariate ordinary least squares (OLS), the NMR of 1.40 T (60 MHz for proton) showed more advantages when compared to a high field spectrometer, due to the non-use of cryogenic and solvents and less laborious work for obtaining results. |
| _version_ | 1871442407070892032 |
|---|---|
| author | Kollar, Sara Regina Morais |
| author2 | Novotny, Etelvino H. Nascimento, Cláudia Jorge do Suarez, Paulo Anselmo Ziani |
| author2_role | author author author |
| author_browse | Kollar, Sara Regina Morais Nascimento, Cláudia Jorge do Novotny, Etelvino H. Suarez, Paulo Anselmo Ziani |
| author_facet | Kollar, Sara Regina Morais Novotny, Etelvino H. Nascimento, Cláudia Jorge do Suarez, Paulo Anselmo Ziani |
| author_role | author |
| bitstream.checksum.fl_str_mv | 7193869cf45f247384358fa791596ce8 |
| bitstream.checksumAlgorithm.fl_str_mv | MD5 |
| bitstream.url.fl_str_mv | http://repositorio2.unb.br/jspui/bitstream/10482/30694/1/ARTIGO_NuclearMagneticResonance.pdf |
| collection | Repositório Institucional da UnB |
| dc.contributor.author.fl_str_mv | Kollar, Sara Regina Morais Novotny, Etelvino H. Nascimento, Cláudia Jorge do Suarez, Paulo Anselmo Ziani |
| dc.date.accessioned.fl_str_mv | 2018-01-04T19:14:43Z |
| dc.date.available.fl_str_mv | 2018-01-04T19:14:43Z |
| dc.date.issued.fl_str_mv | 2017-10 |
| dc.identifier.citation.fl_str_mv | KOLLAR, Sara R. M. et al. Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction. Journal of the Brazilian Chemical Society, São Paulo, v. 28, n. 10, p. 1917-1925, out. 2017. Disponível em: <http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001001917&lng=en&nrm=iso>. Acesso em: 1 fev. 2018. doi: http://dx.doi.org/10.21577/0103-5053.20170031. |
| dc.identifier.doi.pt_BR.fl_str_mv | http://dx.doi.org/10.21577/0103-5053.20170031 |
| dc.identifier.uri.fl_str_mv | http://repositorio.unb.br/handle/10482/30694 |
| dc.language.iso.fl_str_mv | eng |
| dc.publisher.none.fl_str_mv | Sociedade Brasileira de Química |
| dc.rights.driver.fl_str_mv | info:eu-repo/semantics/openAccess |
| dc.source.none.fl_str_mv | reponame:Repositório Institucional da UnB instname:Universidade de Brasília (UnB) instacron:UNB |
| dc.subject.keyword.pt_BR.fl_str_mv | Biodiesel Esterificação Quimiometria |
| dc.title.pt_BR.fl_str_mv | Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction |
| dc.type.driver.fl_str_mv | info:eu-repo/semantics/article |
| dc.type.status.fl_str_mv | info:eu-repo/semantics/publishedVersion |
| description | In this work, we compared 1.40 T nuclear magnetic resonance (NMR) to 7.05 T (60 and 300 MHz for proton, respectively), and mid-infrared with attenuated total reflectance (FTIR-ATR), associated with chemometrics methods, for the quantification of the reaction yield during esterification of fatty acids with methanol. The results showed that the integrated intensities of the ester C=O stretching region, relative to the total C=O stretching region, is useful to quantify the fatty acid methyl ester (FAME) concentration. Comparing the results obtained by the different final models: NMR (1.40 T and 7.05 T), FTIR-ATR using multivariate partial last squares regression (PLS) with orthogonal signal correction (OSC), and univariate ordinary least squares (OLS), the NMR of 1.40 T (60 MHz for proton) showed more advantages when compared to a high field spectrometer, due to the non-use of cryogenic and solvents and less laborious work for obtaining results. |
| eu_rights_str_mv | openAccess |
| format | article |
| id | UNB_948cc36d5af89da4a0b6d2f8d50d2abe |
| identifier_str_mv | KOLLAR, Sara R. M. et al. Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction. Journal of the Brazilian Chemical Society, São Paulo, v. 28, n. 10, p. 1917-1925, out. 2017. Disponível em: <http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001001917&lng=en&nrm=iso>. Acesso em: 1 fev. 2018. doi: http://dx.doi.org/10.21577/0103-5053.20170031. |
| instacron_str | UNB |
| institution | UNB |
| instname_str | Universidade de Brasília (UnB) |
| language | eng |
| network_acronym_str | UNB |
| network_name_str | Repositório Institucional da UnB |
| oai_identifier_str | oai:repositorio.unb.br:10482/30694 |
| publishDate | 2017 |
| publishDateSort | 2017 |
| publisher.none.fl_str_mv | Sociedade Brasileira de Química |
| reponame_str | Repositório Institucional da UnB |
| repository.mail.fl_str_mv | repositorio@unb.br |
| repository.name.fl_str_mv | Repositório Institucional da UnB - Universidade de Brasília (UnB) |
| repository_id_str | |
| spelling | Kollar, Sara Regina MoraisNovotny, Etelvino H.Nascimento, Cláudia Jorge doSuarez, Paulo Anselmo Ziani2018-01-04T19:14:43Z2018-01-04T19:14:43Z2017-10KOLLAR, Sara R. M. et al. Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction. Journal of the Brazilian Chemical Society, São Paulo, v. 28, n. 10, p. 1917-1925, out. 2017. Disponível em: <http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001001917&lng=en&nrm=iso>. Acesso em: 1 fev. 2018. doi: http://dx.doi.org/10.21577/0103-5053.20170031.http://repositorio.unb.br/handle/10482/30694http://dx.doi.org/10.21577/0103-5053.20170031Sociedade Brasileira de QuímicaJournal of the Brazilian Chemical Society - This is an Open Access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0). Fonte: http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532017001001917&lng=en&nrm=iso. Acesso em: 1 fev. 2018.info:eu-repo/semantics/openAccessNuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reactioninfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleBiodieselEsterificaçãoQuimiometriaIn this work, we compared 1.40 T nuclear magnetic resonance (NMR) to 7.05 T (60 and 300 MHz for proton, respectively), and mid-infrared with attenuated total reflectance (FTIR-ATR), associated with chemometrics methods, for the quantification of the reaction yield during esterification of fatty acids with methanol. The results showed that the integrated intensities of the ester C=O stretching region, relative to the total C=O stretching region, is useful to quantify the fatty acid methyl ester (FAME) concentration. Comparing the results obtained by the different final models: NMR (1.40 T and 7.05 T), FTIR-ATR using multivariate partial last squares regression (PLS) with orthogonal signal correction (OSC), and univariate ordinary least squares (OLS), the NMR of 1.40 T (60 MHz for proton) showed more advantages when compared to a high field spectrometer, due to the non-use of cryogenic and solvents and less laborious work for obtaining results.Instituto de Química (IQ)engreponame:Repositório Institucional da UnBinstname:Universidade de Brasília (UnB)instacron:UNBORIGINALARTIGO_NuclearMagneticResonance.pdfARTIGO_NuclearMagneticResonance.pdfapplication/pdf435797http://repositorio2.unb.br/jspui/bitstream/10482/30694/1/ARTIGO_NuclearMagneticResonance.pdf7193869cf45f247384358fa791596ce8MD51open access10482/306942023-10-20 10:58:51.753open accessoai:repositorio.unb.br:10482/30694Repositório InstitucionalPUBhttps://repositorio.unb.br/oai/requestrepositorio@unb.bropendoar:2023-10-20T13:58:51Repositório Institucional da UnB - Universidade de Brasília (UnB) |
| spellingShingle | Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction Kollar, Sara Regina Morais Biodiesel Esterificação Quimiometria |
| status_str | publishedVersion |
| title | Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction |
| title_full | Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction |
| title_fullStr | Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction |
| title_full_unstemmed | Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction |
| title_short | Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction |
| title_sort | Nuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction |
| topic | Biodiesel Esterificação Quimiometria |
| url | http://repositorio.unb.br/handle/10482/30694 http://dx.doi.org/10.21577/0103-5053.20170031 |