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Registro Completo
Biblioteca(s): |
Embrapa Solos. |
Data corrente: |
06/12/2017 |
Data da última atualização: |
11/11/2021 |
Tipo da produção científica: |
Artigo em Periódico Indexado |
Circulação/Nível: |
A - 2 |
Autoria: |
KOLLAR, S. R. M.; NOVOTNY, E. H.; NASCIMENTO, C. J. do; SUAREZ, P. A. Z. |
Afiliação: |
SARA R. M. KOLLAR, UnB; ETELVINO HENRIQUE NOVOTNY, CNPS; CLAUDIA J. DO NASCIMENTO, UNIRIO; PAULO A. Z. SUAREZ, UnB. |
Título: |
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. |
Ano de publicação: |
2017 |
Fonte/Imprenta: |
Journal of the Brazilian Chemical Society, v. 28, n. 10, p. 1917-1925, out. 2017. |
DOI: |
http://dx.doi.org/10.21577/0103-5053.20170031 |
Idioma: |
Inglês |
Conteúdo: |
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. |
Palavras-Chave: |
Esterificação; Infravermelho médio; Q-RMN; Quimiometria. |
Thesaurus NAL: |
biodiesel. |
Categoria do assunto: |
P Recursos Naturais, Ciências Ambientais e da Terra |
URL: |
https://ainfo.cnptia.embrapa.br/digital/bitstream/item/168322/1/2017-079.pdf
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Marc: |
LEADER 01797naa a2200229 a 4500 001 2081648 005 2021-11-11 008 2017 bl uuuu u00u1 u #d 024 7 $ahttp://dx.doi.org/10.21577/0103-5053.20170031$2DOI 100 1 $aKOLLAR, S. R. M. 245 $aNuclear magnetic resonance (1.40 T) and mid infrared (FTIR-ATR) associated with chemometrics as analytical methods for the analysis of methyl ester yield obtained by esterification reaction.$h[electronic resource] 260 $c2017 520 $aIn 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. 650 $abiodiesel 653 $aEsterificação 653 $aInfravermelho médio 653 $aQ-RMN 653 $aQuimiometria 700 1 $aNOVOTNY, E. H. 700 1 $aNASCIMENTO, C. J. do 700 1 $aSUAREZ, P. A. Z. 773 $tJournal of the Brazilian Chemical Society$gv. 28, n. 10, p. 1917-1925, out. 2017.
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