Published

2022-12-31

A predictive model for the determination of cadmium concentration in cocoa beans using laser-induced plasma spectroscopy

Modelo predictivo para la determinación de la concentración de cadmio en granos de cacao mediante espectroscopia de plasma inducido por láser

DOI:

https://doi.org/10.15446/agron.colomb.v40n3.104911

Keywords:

inorganic contaminants, heavy metals, partial least square regression, atomic spectroscopy (en)
contaminantes inorgánicos, metales pesados, regresión por mínimos cuadrados parciales, espectroscopía atómica (es)

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Authors

  • Sandra Liliana Herrera Celis Universidad Industrial de Santander - Centro de Materiales y Nanociencias - Laboratorio de Espectroscopia Atómica y Molecular (LEAM) - Parque Tecnológico Guatiguará - Piedecuesta, Santander - Colombia https://orcid.org/0000-0002-8004-7006
  • Jáder Enrique Guerrero Bermúdez Universidad Industrial de Santander - Grupo de Óptica y Tratamiento de Señales - Bucaramanga, Santander - Colombia https://orcid.org/0000-0002-5865-8118
  • Enrique Mejía-Ospino Universidad Industrial de Santander - Centro de Materiales y Nanociencias - Laboratorio de Espectroscopia Atómica y Molecular (LEAM) - Parque Tecnológico Guatiguará - Piedecuesta, Santander - Colombia https://orcid.org/0000-0001-9599-7891
  • Rafael Cabanzo Hernández Universidad Industrial de Santander - Centro de Materiales y Nanociencias - Laboratorio de Espectroscopia Atómica y Molecular (LEAM) - Parque Tecnológico Guatiguará - Piedecuesta, Santander - Colombia https://orcid.org/0000-0002-6907-2120

This study proposes a predictive model to determine the concentration of cadmium (Cd) in cocoa beans based on laser-induced breakdown spectroscopy (LIBS) and partial least squares regression (PLSR-1 or PLS-1). The multivariate calibration model was developed using 46 cocoa bean samples, with Cd concentrations up to 1 mg kg-1. The increase of the LIBS signal in the Cd emission lines was evident when the cocoa bean sample was subjected to a solid-liquid-solid transformation (SLST). The range error ratio (RER) was 7.92, which allowed it to be classified as a screening model. Monte Carlo cross-validation was used, with 60% of samples for calibration and the remaining for testing. The standard error of cross-validation (SECV) and standard error of calibration (SEC) were 0.12 mg kg-1 and 0.05 mg kg-1, respectively. The proposed procedure is framed within the alternatives for the chemical analysis of cocoa.

Este estudio propone un modelo para predecir la concentración de cadmio (Cd) en granos de cacao basado en espectroscopía de plasma inducido por láser (LIBS) y regresión por mínimos cuadrados parciales (PLSR-1 o PLS-1). El modelo de calibración fue desarrollado a partir de 46 muestras de granos de cacao con concentración no mayor a 1 mg kg-1. El incremento en la señal LIBS fue evidente cuando la muestra de grano de cacao fue sometida a una transformación sólido líquido-sólido (SLST). La razón del rango de error (RER) es 7.92, lo que permite determinar que el modelo es de tamizaje. Se utilizó la estrategia de validación cruzada Montecarlo con el 60% de las muestras para calibración y las restantes para prueba. El error estándar de validación cruzada (SECV) y de calibración (SEC) fue 0.12 mg kg-1 y 0.05 mg kg-1, respectivamente. El procedimiento propuesto se ubica en el marco de las alternativas de inspección y análisis químico del cacao.

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How to Cite

APA

Herrera Celis, S. L., Guerrero Bermúdez, J. E., Mejía-Ospino, E. and Cabanzo Hernández, R. (2022). A predictive model for the determination of cadmium concentration in cocoa beans using laser-induced plasma spectroscopy. Agronomía Colombiana, 40(3), 429–439. https://doi.org/10.15446/agron.colomb.v40n3.104911

ACM

[1]
Herrera Celis, S.L., Guerrero Bermúdez, J.E., Mejía-Ospino, E. and Cabanzo Hernández, R. 2022. A predictive model for the determination of cadmium concentration in cocoa beans using laser-induced plasma spectroscopy. Agronomía Colombiana. 40, 3 (Sep. 2022), 429–439. DOI:https://doi.org/10.15446/agron.colomb.v40n3.104911.

ACS

(1)
Herrera Celis, S. L.; Guerrero Bermúdez, J. E.; Mejía-Ospino, E.; Cabanzo Hernández, R. A predictive model for the determination of cadmium concentration in cocoa beans using laser-induced plasma spectroscopy. Agron. Colomb. 2022, 40, 429-439.

ABNT

HERRERA CELIS, S. L.; GUERRERO BERMÚDEZ, J. E.; MEJÍA-OSPINO, E.; CABANZO HERNÁNDEZ, R. A predictive model for the determination of cadmium concentration in cocoa beans using laser-induced plasma spectroscopy. Agronomía Colombiana, [S. l.], v. 40, n. 3, p. 429–439, 2022. DOI: 10.15446/agron.colomb.v40n3.104911. Disponível em: https://revistas.unal.edu.co/index.php/agrocol/article/view/104911. Acesso em: 25 jul. 2024.

Chicago

Herrera Celis, Sandra Liliana, Jáder Enrique Guerrero Bermúdez, Enrique Mejía-Ospino, and Rafael Cabanzo Hernández. 2022. “A predictive model for the determination of cadmium concentration in cocoa beans using laser-induced plasma spectroscopy”. Agronomía Colombiana 40 (3):429-39. https://doi.org/10.15446/agron.colomb.v40n3.104911.

Harvard

Herrera Celis, S. L., Guerrero Bermúdez, J. E., Mejía-Ospino, E. and Cabanzo Hernández, R. (2022) “A predictive model for the determination of cadmium concentration in cocoa beans using laser-induced plasma spectroscopy”, Agronomía Colombiana, 40(3), pp. 429–439. doi: 10.15446/agron.colomb.v40n3.104911.

IEEE

[1]
S. L. Herrera Celis, J. E. Guerrero Bermúdez, E. Mejía-Ospino, and R. Cabanzo Hernández, “A predictive model for the determination of cadmium concentration in cocoa beans using laser-induced plasma spectroscopy”, Agron. Colomb., vol. 40, no. 3, pp. 429–439, Sep. 2022.

MLA

Herrera Celis, S. L., J. E. Guerrero Bermúdez, E. Mejía-Ospino, and R. Cabanzo Hernández. “A predictive model for the determination of cadmium concentration in cocoa beans using laser-induced plasma spectroscopy”. Agronomía Colombiana, vol. 40, no. 3, Sept. 2022, pp. 429-3, doi:10.15446/agron.colomb.v40n3.104911.

Turabian

Herrera Celis, Sandra Liliana, Jáder Enrique Guerrero Bermúdez, Enrique Mejía-Ospino, and Rafael Cabanzo Hernández. “A predictive model for the determination of cadmium concentration in cocoa beans using laser-induced plasma spectroscopy”. Agronomía Colombiana 40, no. 3 (September 1, 2022): 429–439. Accessed July 25, 2024. https://revistas.unal.edu.co/index.php/agrocol/article/view/104911.

Vancouver

1.
Herrera Celis SL, Guerrero Bermúdez JE, Mejía-Ospino E, Cabanzo Hernández R. A predictive model for the determination of cadmium concentration in cocoa beans using laser-induced plasma spectroscopy. Agron. Colomb. [Internet]. 2022 Sep. 1 [cited 2024 Jul. 25];40(3):429-3. Available from: https://revistas.unal.edu.co/index.php/agrocol/article/view/104911

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