Food Analytical Methods

, Volume 13, Issue 1, pp 97–107 | Cite as

Chemometric Approach Using ComDim and PLS-DA for Discrimination and Classification of Commercial Yerba Mate (Ilex paraguariensis St. Hil.)

  • Tatiane Francielli Vieira
  • Gustavo Yasuo Figueiredo Makimori
  • Maria Brígida dos Santos Scholz
  • Acácio Antonio Ferreira Zielinski
  • Evandro BonaEmail author


Yerba mate samples from three different states of Brazil were evaluated in order to discriminate them regarding the presence of sugar and geographic origin. High-performance liquid chromatography (HPLC), phytochemical compounds, in vitro antioxidant activity, visible and near-infrared (NIR) spectroscopy, colorimetry, and electronic nose were used in tandem with chemometric methods. The multiblock exploratory analysis (ComDim) was able to discriminate the samples containing sugar; however, it was not possible to discriminate them by geographical origin. Furthermore, ComDim results showed the NIR spectra presented the best discriminating capacity. Partial least square discriminant analysis (PLS-DA) models constructed using NIR spectra classified the samples assertively according to the presence of sugar (100% of sensitivity and specificity for the prediction set), and reasonable models were also obtained for the geographic classification (80% of sensitivity and 93% of specificity for the prediction set). The multiblock approach allowed an overall evaluation of the data collected through different analytical methods. In addition, among the methods applied, NIR spectroscopy was faster and cheaper and allowed for better sample discrimination.


Near infrared Multiblock analysis Phenolic compounds Electronic nose 


Funding Information

The authors thank CAPES, CNPq, UTFPR, and IAPAR for their financial support and scholarships.

Compliance with Ethical Standards

Conflict of Interest

Tatiane Francielli Vieira declares that she has no conflict of interest. Gustavo Yasuo Figueiredo Makimori declares that he has no conflict of interest. Maria Brígida dos Santos Scholz declares that she has no conflict of interest. Acácio Antonio Ferreira Zielinski declares that he has no conflict of interest. Evandro Bona declares that he has no conflict of interest.

Ethical Approval

This article does not contain any studies with human participants or animals performed by any of the authors.

Supplementary material

12161_2019_1520_MOESM1_ESM.pdf (797 kb)
ESM 1 (PDF 7 kb)


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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2019

Authors and Affiliations

  1. 1.Post-Graduation Program of Food Technology (PPGTA)Federal University of Technology - Paraná (UTFPR)Campo MourãoBrazil
  2. 2.Agronomic Institute of Paraná (IAPAR)LondrinaBrazil
  3. 3.Department of Chemical and Food EngineeringUniversidade Federal de Santa CatarinaFlorianopolisBrazil

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