Authentication and Quality Assessment of Cocoa via FTIR and Chemometrics: Geographical Origin, Alkalization, and Quantitative Adulteration Detection


Küçükduman Y., İpkin G., Bilge Özel G., Taştan Ülkü Ö., TOKER Ö. S.

Journal of Food Quality, cilt.2026, sa.1, 2026 (SCI-Expanded, Scopus)

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 2026 Sayı: 1
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1155/jfq/8836513
  • Dergi Adı: Journal of Food Quality
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, CAB Abstracts, Compendex, Food Science & Technology Abstracts, INSPEC, Directory of Open Access Journals, Business Source Ultimate (EBSCO), Engineering Source (EBSCO), Health Research Premium Collection (ProQuest)
  • Anahtar Kelimeler: alkalized cocoa, cocoa liquor, natural cocoa, PLS, PLS-DA
  • Yıldız Teknik Üniversitesi Adresli: Evet

Özet

The adulteration, authentication, and quality of cocoa-based products are very important issues for both consumers and producers in terms of health, economic concerns, and legal trade. In this study, a method combining Fourier transform infrared (FTIR) spectroscopy with chemometrics was developed for classification of origin-based (West Africa, East Africa, North America, and South America) and alkalized/natural-based cocoa samples and also for quantification of origin-based cocoa liquor adulterations. For classification studies, recorded FTIR spectra of samples were evaluated with PCA and PLS-DA methods. On the other hand, for quantification of adulteration, Peru- and Ghana-origin liquor samples were mixed (2.5%–80%) and analyzed. Physicochemical analyses (moisture, pH, ash, and color) were also performed to interpret the modeling results. According to origin-based classification, specificity and sensitivity values were 1.0 for calibration, cross-validation, and prediction for PLS-DA. Moreover, for the alkalized/natural separation, specificity and sensitivity values were 1.0 for calibration and prediction, respectively. In the PLS model for quantification of adulteration, calibration, cross-validation, and prediction correlation coefficients (R2, (Formula presented.), and (Formula presented.)) were found to be 0.98, 0.93, and 0.96, respectively. Furthermore, the root mean square error of prediction value was 0.06%. This is an exemplary study in the literature for the rapid and nondestructive determination of origin-based adulteration.