Authentication of cocoa bean shells by near- and mid-infrared spectroscopy and inductively coupled plasma-optical emission spectroscopy

Luisa Mandrile; Letricia Barbosa-Pereira; Klavs Martin Sørensen; Andrea Mario Giovannozzi; Giuseppe Zeppa; Søren Balling Engelsen; Andrea Mario Rossi

doi:10.1016/j.foodchem.2019.04.008

Authentication of cocoa bean shells by near- and mid-infrared spectroscopy and inductively coupled plasma-optical emission spectroscopy

Luisa Mandrile^*, Letricia Barbosa-Pereira, Klavs Martin Sørensen, Andrea Mario Giovannozzi, Giuseppe Zeppa, Søren Balling Engelsen, Andrea Mario Rossi

^*Corresponding author for this work

Food Analytics and Biotechnology

15 Citations (Scopus)

Abstract

The aim of this study was to evaluate the efficacy of a multi-analytical approach for origin authentication of cocoa bean shells (CBS). The overall chemical profiles of CBS from different origins were characterized using diffuse reflectance near-infrared spectroscopy (NIRS) and attenuated total reflectance mid-infrared spectroscopy (ATR-FT-IR) for molecular composition identification, as well as inductively coupled plasma-optical emission spectroscopy (ICP-OES) for elemental composition identification. Exploratory chemometric techniques based on Principal Component Analysis (PCA) were applied to each single technique for the identification of systematic patterns related to the geographical origin of samples. A combination of the three techniques proved to be the most promising approach to establish classification models. Partial Least Squares-Discriminant Analysis modelling of fused PCA scores of three independent models was used and compared with single technique models. Improved classification of CBS samples was obtained using the fused model. Satisfactory classification rates were obtained for Central African samples with an accuracy of 0.84.

Original language	English
Journal	Food Chemistry
Volume	292
Pages (from-to)	47-57
Number of pages	11
ISSN	0308-8146
DOIs	https://doi.org/10.1016/j.foodchem.2019.04.008
Publication status	Published - 2019

Keywords

Cocoa bean shell
Data fusion
Food traceability
Inductively coupled plasma
Mid-infrared spectroscopy
Near-infrared spectroscopy

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10.1016/j.foodchem.2019.04.008

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@article{9cf7d94f93404976aeaadb72d459604c,

title = "Authentication of cocoa bean shells by near- and mid-infrared spectroscopy and inductively coupled plasma-optical emission spectroscopy",

abstract = "The aim of this study was to evaluate the efficacy of a multi-analytical approach for origin authentication of cocoa bean shells (CBS). The overall chemical profiles of CBS from different origins were characterized using diffuse reflectance near-infrared spectroscopy (NIRS) and attenuated total reflectance mid-infrared spectroscopy (ATR-FT-IR) for molecular composition identification, as well as inductively coupled plasma-optical emission spectroscopy (ICP-OES) for elemental composition identification. Exploratory chemometric techniques based on Principal Component Analysis (PCA) were applied to each single technique for the identification of systematic patterns related to the geographical origin of samples. A combination of the three techniques proved to be the most promising approach to establish classification models. Partial Least Squares-Discriminant Analysis modelling of fused PCA scores of three independent models was used and compared with single technique models. Improved classification of CBS samples was obtained using the fused model. Satisfactory classification rates were obtained for Central African samples with an accuracy of 0.84.",

keywords = "Cocoa bean shell, Data fusion, Food traceability, Inductively coupled plasma, Mid-infrared spectroscopy, Near-infrared spectroscopy",

author = "Luisa Mandrile and Letricia Barbosa-Pereira and S{\o}rensen, {Klavs Martin} and Giovannozzi, {Andrea Mario} and Giuseppe Zeppa and Engelsen, {S{\o}ren Balling} and Rossi, {Andrea Mario}",

year = "2019",

doi = "10.1016/j.foodchem.2019.04.008",

language = "English",

volume = "292",

pages = "47--57",

journal = "Food Chemistry",

issn = "0308-8146",

publisher = "Elsevier",

}

TY - JOUR

T1 - Authentication of cocoa bean shells by near- and mid-infrared spectroscopy and inductively coupled plasma-optical emission spectroscopy

AU - Mandrile, Luisa

AU - Barbosa-Pereira, Letricia

AU - Sørensen, Klavs Martin

AU - Giovannozzi, Andrea Mario

AU - Zeppa, Giuseppe

AU - Engelsen, Søren Balling

AU - Rossi, Andrea Mario

PY - 2019

Y1 - 2019

N2 - The aim of this study was to evaluate the efficacy of a multi-analytical approach for origin authentication of cocoa bean shells (CBS). The overall chemical profiles of CBS from different origins were characterized using diffuse reflectance near-infrared spectroscopy (NIRS) and attenuated total reflectance mid-infrared spectroscopy (ATR-FT-IR) for molecular composition identification, as well as inductively coupled plasma-optical emission spectroscopy (ICP-OES) for elemental composition identification. Exploratory chemometric techniques based on Principal Component Analysis (PCA) were applied to each single technique for the identification of systematic patterns related to the geographical origin of samples. A combination of the three techniques proved to be the most promising approach to establish classification models. Partial Least Squares-Discriminant Analysis modelling of fused PCA scores of three independent models was used and compared with single technique models. Improved classification of CBS samples was obtained using the fused model. Satisfactory classification rates were obtained for Central African samples with an accuracy of 0.84.

AB - The aim of this study was to evaluate the efficacy of a multi-analytical approach for origin authentication of cocoa bean shells (CBS). The overall chemical profiles of CBS from different origins were characterized using diffuse reflectance near-infrared spectroscopy (NIRS) and attenuated total reflectance mid-infrared spectroscopy (ATR-FT-IR) for molecular composition identification, as well as inductively coupled plasma-optical emission spectroscopy (ICP-OES) for elemental composition identification. Exploratory chemometric techniques based on Principal Component Analysis (PCA) were applied to each single technique for the identification of systematic patterns related to the geographical origin of samples. A combination of the three techniques proved to be the most promising approach to establish classification models. Partial Least Squares-Discriminant Analysis modelling of fused PCA scores of three independent models was used and compared with single technique models. Improved classification of CBS samples was obtained using the fused model. Satisfactory classification rates were obtained for Central African samples with an accuracy of 0.84.

KW - Cocoa bean shell

KW - Data fusion

KW - Food traceability

KW - Inductively coupled plasma

KW - Mid-infrared spectroscopy

KW - Near-infrared spectroscopy

U2 - 10.1016/j.foodchem.2019.04.008

DO - 10.1016/j.foodchem.2019.04.008

M3 - Journal article

C2 - 31054691

AN - SCOPUS:85064218776

SN - 0308-8146

VL - 292

SP - 47

EP - 57

JO - Food Chemistry

JF - Food Chemistry

ER -

Authentication of cocoa bean shells by near- and mid-infrared spectroscopy and inductively coupled plasma-optical emission spectroscopy

Abstract

Keywords

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