Multivariate Approach for the Authentication of Vanilla Using Infrared and Raman Spectroscopy

Ana Maria Jiménez; Margherita  Tonolini; Orla  McAleer; Daniel Granato; Luis Cuadros-Rodríguez; Tassos Koidis

doi:10.1016/j.foodres.2021.110196

Multivariate Approach for the Authentication of Vanilla Using Infrared and Raman Spectroscopy

Ana Maria Jiménez, Margherita Tonolini, Orla McAleer, Daniel Granato, Luis Cuadros-Rodríguez, Tassos Koidis

School of Biological Sciences

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Abstract

Many different versions of vanilla extracts exist in the market in a variety of origins, purity levels and composition with little effective regulation. In this study, vanilla is authenticated both in terms of purity and geographical origin applying a multivariate approach using near infrared (NIR), mid infrared (MIR) and Raman spectroscopy following a complex experimental design. Partial least squares-discriminant analysis (PLS-DA) was applied to the spectral data to produce qualitative models. The prediction accuracy of the models was externally validated from the specific success/error contingencies. The results showed that MIR and Raman are reliable for authenticating vanilla in terms of purity, obtaining sensitivity, specificity, precision, and efficiency values equal to 1.00, and Raman is especially suitable for indicating the geographical origin of vanilla extracts, achieving performance metrics around 0.9.

Original language	English
Journal	Food Research International
DOIs	https://doi.org/10.1016/j.foodres.2021.110196
Publication status	Published - 01 Feb 2021

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Multivariate Approach for the Authentication of Vanilla Using Infrared and Raman Spectroscopy
Copyright 2021 Elsevier. This manuscript is distributed under a Creative Commons Attribution-NonCommercial-NoDerivs License (https://creativecommons.org/licenses/by-nc-nd/4.0/), which permits distribution and reproduction for non-commercial purposes, provided the author and source are cited.
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title = "Multivariate Approach for the Authentication of Vanilla Using Infrared and Raman Spectroscopy",

abstract = "Many different versions of vanilla extracts exist in the market in a variety of origins, purity levels and composition with little effective regulation. In this study, vanilla is authenticated both in terms of purity and geographical origin applying a multivariate approach using near infrared (NIR), mid infrared (MIR) and Raman spectroscopy following a complex experimental design. Partial least squares-discriminant analysis (PLS-DA) was applied to the spectral data to produce qualitative models. The prediction accuracy of the models was externally validated from the specific success/error contingencies. The results showed that MIR and Raman are reliable for authenticating vanilla in terms of purity, obtaining sensitivity, specificity, precision, and efficiency values equal to 1.00, and Raman is especially suitable for indicating the geographical origin of vanilla extracts, achieving performance metrics around 0.9.",

author = "Jim{\'e}nez, {Ana Maria} and Margherita Tonolini and Orla McAleer and Daniel Granato and Luis Cuadros-Rodr{\'i}guez and Tassos Koidis",

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T1 - Multivariate Approach for the Authentication of Vanilla Using Infrared and Raman Spectroscopy

AU - Jiménez, Ana Maria

AU - Tonolini, Margherita

AU - McAleer, Orla

AU - Granato, Daniel

AU - Cuadros-Rodríguez, Luis

AU - Koidis, Tassos

PY - 2021/2/1

Y1 - 2021/2/1

N2 - Many different versions of vanilla extracts exist in the market in a variety of origins, purity levels and composition with little effective regulation. In this study, vanilla is authenticated both in terms of purity and geographical origin applying a multivariate approach using near infrared (NIR), mid infrared (MIR) and Raman spectroscopy following a complex experimental design. Partial least squares-discriminant analysis (PLS-DA) was applied to the spectral data to produce qualitative models. The prediction accuracy of the models was externally validated from the specific success/error contingencies. The results showed that MIR and Raman are reliable for authenticating vanilla in terms of purity, obtaining sensitivity, specificity, precision, and efficiency values equal to 1.00, and Raman is especially suitable for indicating the geographical origin of vanilla extracts, achieving performance metrics around 0.9.

AB - Many different versions of vanilla extracts exist in the market in a variety of origins, purity levels and composition with little effective regulation. In this study, vanilla is authenticated both in terms of purity and geographical origin applying a multivariate approach using near infrared (NIR), mid infrared (MIR) and Raman spectroscopy following a complex experimental design. Partial least squares-discriminant analysis (PLS-DA) was applied to the spectral data to produce qualitative models. The prediction accuracy of the models was externally validated from the specific success/error contingencies. The results showed that MIR and Raman are reliable for authenticating vanilla in terms of purity, obtaining sensitivity, specificity, precision, and efficiency values equal to 1.00, and Raman is especially suitable for indicating the geographical origin of vanilla extracts, achieving performance metrics around 0.9.

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DO - 10.1016/j.foodres.2021.110196

M3 - Article

JO - Food Research International

JF - Food Research International

SN - 0963-9969

ER -

Multivariate Approach for the Authentication of Vanilla Using Infrared and Raman Spectroscopy

Abstract

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