TY - JOUR
T1 - Multivariate approach for the authentication of vanilla using infrared and Raman spectroscopy
AU - Jiménez-Carvelo, Ana M.
AU - Tonolini, Margherita
AU - McAleer, Orla
AU - Cuadros-Rodríguez, Luis
AU - Granato, Daniel
AU - Koidis, Anastasios
N1 - Publisher Copyright:
© 2021 Elsevier Ltd
PY - 2021/3
Y1 - 2021/3
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.
KW - Authenticity
KW - Discriminant analysis
KW - Fingerprinting
KW - Infrared spectroscopy
KW - Multivariate analysis
KW - Raman spectroscopy
KW - Vanilla
UR - http://www.scopus.com/inward/record.url?scp=85100626808&partnerID=8YFLogxK
U2 - 10.1016/j.foodres.2021.110196
DO - 10.1016/j.foodres.2021.110196
M3 - Article
C2 - 33642028
AN - SCOPUS:85100626808
SN - 0963-9969
VL - 141
SP - 110196
JO - Food Research International
JF - Food Research International
M1 - 110196
ER -