Rapid and Eco-Friendly Quantification of Phenolic Compounds in Roselle Powder Using ATR-FTIR Coupled with Chemometric Modeling
DOI:
https://doi.org/10.48048/tis.2026.12671Keywords:
ATR-FTIR spectroscopy, Chemometrics, Green analytical chemistry, Phenolic compounds, Roselle powder analysisAbstract
Phenolic compounds are key contributors to the nutritional, functional, and commercial quality of roselle (Hibiscus sabdariffa L.) calyces; however, their routine quantification commonly relies on chromatographic methods that are time-consuming, solvent-intensive, and impractical for rapid quality control. This study aimed to develop a rapid and eco-friendly analytical approach for quantifying chlorogenic acid, caffeic acid, and rutin in roselle powder using attenuated total reflectance Fourier-transform infrared (ATR-FTIR) spectroscopy combined with chemometric modeling. Fifty samples representing different cultivars, drying methods, and geographical origins were analyzed. Elastic net classification achieved high accuracies for cultivar (96%) and geographical origin (92%), and moderate discrimination of drying methods (80%). Quantitative prediction using partial least squares regression showed excellent performance for chlorogenic acid (R2P = 0.9108), while caffeic acid and rutin showed moderate predictive ability (R2P = 0.5357 and 0.6490, respectively). External validation yielded prediction deviations generally below 10%. These results demonstrate that ATR-FTIR coupled with chemometrics provides a rapid, solvent-free, and reliable platform for phenolic profiling, with strong potential for sustainable quality control and process optimization in roselle-based food products.
HIGHLIGHTS
- ATR-FTIR combined with chemometrics enables rapid phenolic quantification
- Chlorogenic acid shows excellent predictive accuracy using optimized PLSR
- Cultivar and origin strongly influence roselle phenolic composition
- Drying method has minimal effect on phenolic stability under mild conditions
- FTIR–chemometric workflow offers a sustainable alternative to HPLC-PDA
GRAPHICAL ABSTRACT
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