NIRS calibration curves for the prediction of chemical compounds of green coffee
Near-infrared spectroscopy (NIRS) has been consolidated as a reliable, objective, reproducible, verifiable, inexpensive and low-environmental impact secondary analytical technique. This research aimed to carry out the validation of the equation developed from the NIRS technique for green coffee, which currently predicts 13 chemical compounds (caffeine, trigonelline, total chlorogenic acids, total lipids, fatty acids (palmitic, stearic, oleic, linoleic, linolenic and arachidic), isomers (3-CQA, 4-CQA and 5-CQA) and sucrose). The validation was carried out with 70 samples of Arabica green coffee (Coffea arabica L.), Castillo®, Cenicafé1 and Tabi varieties, produced in the departments of Cauca, Cesar and Caldas, which were analyzed to determine chemical compounds by international methods of analysis of the AOAC and standardized in Cenicafé; the samples were simultaneously analyzed in the NIRS equipment. The concordance between international analytical methods and NIRS was established from descriptive statistical analyses, Blan Altman concordance analysis and Pearson’s correlation between bias and magnitude. The relative error obtained by the NIRS technique for the compounds caffeine, sucrose, total chlorogenic acids, isomers of chlorogenic acids 4-CQA and 5-CQA, total lipids, arachidic, stearic and palmitic fatty acids was lower than 6.0%. The trigonelline compounds and linoleic acid showed an error of 7.0% and oleic acid 10.0%. The results confirm that with the calibration of the curve the NIRS technique can become a secondary analytical method.
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2021
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Gómez, Claudia Rocío Ortiz, Aristófeles Gallego, Claudia Echeverri, Luz Fanny |
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Gómez, Claudia Rocío Ortiz, Aristófeles Gallego, Claudia Echeverri, Luz Fanny NIRS calibration curves for the prediction of chemical compounds of green coffee |
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Gómez, Claudia Rocío Ortiz, Aristófeles Gallego, Claudia Echeverri, Luz Fanny |
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Gómez, Claudia Rocío |
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NIRS calibration curves for the prediction of chemical compounds of green coffee |
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NIRS calibration curves for the prediction of chemical compounds of green coffee |
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NIRS calibration curves for the prediction of chemical compounds of green coffee |
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NIRS calibration curves for the prediction of chemical compounds of green coffee |
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NIRS calibration curves for the prediction of chemical compounds of green coffee |
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nirs calibration curves for the prediction of chemical compounds of green coffee |
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Near-infrared spectroscopy (NIRS) has been consolidated as a reliable, objective, reproducible, verifiable, inexpensive and low-environmental impact secondary analytical technique. This research aimed to carry out the validation of the equation developed from the NIRS technique for green coffee, which currently predicts 13 chemical compounds (caffeine, trigonelline, total chlorogenic acids, total lipids, fatty acids (palmitic, stearic, oleic, linoleic, linolenic and arachidic), isomers (3-CQA, 4-CQA and 5-CQA) and sucrose). The validation was carried out with 70 samples of Arabica green coffee (Coffea arabica L.), Castillo®, Cenicafé1 and Tabi varieties, produced in the departments of Cauca, Cesar and Caldas, which were analyzed to determine chemical compounds by international methods of analysis of the AOAC and standardized in Cenicafé; the samples were simultaneously analyzed in the NIRS equipment. The concordance between international analytical methods and NIRS was established from descriptive statistical analyses, Blan Altman concordance analysis and Pearson’s correlation between bias and magnitude. The relative error obtained by the NIRS technique for the compounds caffeine, sucrose, total chlorogenic acids, isomers of chlorogenic acids 4-CQA and 5-CQA, total lipids, arachidic, stearic and palmitic fatty acids was lower than 6.0%. The trigonelline compounds and linoleic acid showed an error of 7.0% and oleic acid 10.0%. The results confirm that with the calibration of the curve the NIRS technique can become a secondary analytical method. |
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2021 |
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rev-cenicafe-co-article-1512022-06-08T13:49:54Z NIRS calibration curves for the prediction of chemical compounds of green coffee Validación de curvas de calibración por NIRS para la predicción de compuestos químicos de café almendra Curvas de calibração NIRS para a previsão de compostos químicos do café verde Gómez, Claudia Rocío Ortiz, Aristófeles Gallego, Claudia Echeverri, Luz Fanny Absorbancia longitud de onda café verde concordancia cafeína lípidos totales trigonelina azúcares ácidos grasos ácidos clorogénicos Café Colombia Cenicafé Absorbance wavelength green coffee concordance caffeine total lipids trigonelline sugars fatty acids chlorogenic acids Absorvância comprimento de onda café verde concordância cafeína lipídios totais trigonelina açúcares ácidos graxos ácidos clorogênicos café Colômbia Cenicafé Near-infrared spectroscopy (NIRS) has been consolidated as a reliable, objective, reproducible, verifiable, inexpensive and low-environmental impact secondary analytical technique. This research aimed to carry out the validation of the equation developed from the NIRS technique for green coffee, which currently predicts 13 chemical compounds (caffeine, trigonelline, total chlorogenic acids, total lipids, fatty acids (palmitic, stearic, oleic, linoleic, linolenic and arachidic), isomers (3-CQA, 4-CQA and 5-CQA) and sucrose). The validation was carried out with 70 samples of Arabica green coffee (Coffea arabica L.), Castillo®, Cenicafé1 and Tabi varieties, produced in the departments of Cauca, Cesar and Caldas, which were analyzed to determine chemical compounds by international methods of analysis of the AOAC and standardized in Cenicafé; the samples were simultaneously analyzed in the NIRS equipment. The concordance between international analytical methods and NIRS was established from descriptive statistical analyses, Blan Altman concordance analysis and Pearson’s correlation between bias and magnitude. The relative error obtained by the NIRS technique for the compounds caffeine, sucrose, total chlorogenic acids, isomers of chlorogenic acids 4-CQA and 5-CQA, total lipids, arachidic, stearic and palmitic fatty acids was lower than 6.0%. The trigonelline compounds and linoleic acid showed an error of 7.0% and oleic acid 10.0%. The results confirm that with the calibration of the curve the NIRS technique can become a secondary analytical method. La técnica de espectroscopia de infrarrojo cercano-NIRS se ha consolidado como una técnica analítica secundaria confiable, objetiva, reproducible, verificable, económica y de bajo impacto ambiental. Esta investigación tuvo como objetivo realizar la validación de la ecuación desarrollada a partir de la técnica NIRS para café verde almendra, que predice actualmente 13 compuestos químicos (cafeína, trigonelina, ácidos clorogénicos totales, lípidos totales, ácidos grasos (palmítico, esteárico, oleico, linoleico, linolénico y araquídico), isómeros (3-CQA, 4-CQA y 5-CQA) y sacarosa. La validación se realizó con 70 muestras de café verde arábigo (Coffea arabica L.), variedades Castillo®, Cenicafé 1 y Tabi, producidas en los departamentos de Cauca, Cesar y Caldas, analizadas para la determinación de los compuestos químicos por métodos analíticos internacionales de la AOAC y estandarizados en Cenicafé; simultáneamente las muestras fueron analizadas en el equipo NIRS. A partir de los análisis estadísticos descriptivos, análisis de concordancia de Blan Altman y de correlación de Pearson entre el sesgo y magnitud, pudo establecerse la concordancia entre los métodos analíticos internacionales y el NIRS. El error relativo obtenido por la técnica NIRS para los compuestos cafeína, sacarosa, ácidos clorogénicos totales, isómeros de ácidos clorogénicos 4-CQA y 5-CQA, lípidos totales, ácidos grasos araquídico, esteárico y palmítico fue inferior al 6,0%. Los compuestos trigonelina y el ácido linoleico presentaron un error del 7,0% y el ácido oleico del 10,0%. Los resultados que soportan la investigación confirman que, con la calibración de la curva, la técnica NIRS puede constituirse como un método analítico secundario. A técnica de espectroscopia de infravermelho próximo - NIRS se estabeleceu como uma técnica analítica secundária confiável, objetiva, reprodutível, verificável, econômica e de baixo impacto ambiental. Esta pesquisa visou validar a equação desenvolvida a partir da técnica NIRS para as amêndoas de café verde, que atualmente prevê 13 compostos químicos (cafeína, trigonelina, ácidos clorogênicos totais, lipídios totais, ácidos graxos (palmítico, esteárico, oléico, linoleico, linolênico e araquídico), isômeros (3-CQA, 4-CQA e 5-CQA) e sacarose. A validação foi realizada com 70 amostras de café Arábica verde (Coffea arabica L.), variedades Castillo®, Cenicafé 1 e Tabi, produzidas nos departamentos de Cauca, Cesar e Caldas, analisadas para a determinação de compostos químicos por métodos analíticos internacionais da AOAC e padronizadas em Cenicafé; simultaneamente as amostras foram analisadas no equipamento NIRS. A partir das análises estatísticas descritivas, da análise de concordância de Blan Altman e da correlação de Pearson entre o viés e a magnitude, poderia ser estabelecida a concordância entre os métodos analíticos internacionais e o NIRS. O erro relativo obtido pela técnica NIRS para os compostos cafeína, sacarose, ácidos clorogênicos totais, isômeros de ácido clorogênico 4-CQA e 5-CQA, lipídios totais, ácidos graxos araquídicos, esteáricos e palmíticos foi inferior a 6,0%. Os compostos trigonelina e o ácido linoleico apresentou um erro de 7,0% e o ácido oléico 10,0%. Os resultados que apoiam a investigação confirmar que, com a calibração da curva, a técnica NIRS pode ser usada como um método analítico secundário. Cenicafé 2021-12-27 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion application/pdf https://publicaciones.cenicafe.org/index.php/cenicafe/article/view/151 10.38141/10778/72204 Cenicafe Journal; Vol. 72 No. 2 (2021): Cenicafé Journal; e72204 Revista Cenicafé; Vol. 72 Núm. 2 (2021): Revista Cenicafé; e72204 Cenicafé Journal; v. 72 n. 2 (2021): Cenicafé Journal; e72204 2711-3477 0120-0275 10.38141/rev.cenicafe72-2 spa https://publicaciones.cenicafe.org/index.php/cenicafe/article/view/151/120 Derechos de autor 2021 Revista Cenicafé https://creativecommons.org/licenses/by-nc-nd/4.0/deed.es |