Chemometric tools for evaluating the chemical and functional quality of berries: A systematic review of analytical approaches, research trends, and future perspectives

Tirado-Kulieva V.A.; Torres-Guevara F.A.; González-Aguilar G.A.; Siche R. · Journal of Food Measurement and Characterization (2026) · DOI: 10.1007/s11694-026-04863-0

Resumen

In recent decades, berries have attracted increasing scientific interest due to their complex chemical composition and potential functional properties. In this context, chemometrics has become a key approach for interpreting complex chemical matrices generated by both conventional and emerging analytical techniques. The objective of this systematic review was to critically analyze the application of chemometric tools for evaluating the chemical and functional quality of berries, identifying methodological trends and future research opportunities. A total of 146 studies published between 1995 and 2026 and indexed in Scopus and Web of Science were analyzed. The results reveal a marked geographical concentration of scientific production, led by China, followed by Italy, Spain, Brazil, and the United States, while Oceania and Africa remain underrepresented. UV-Vis spectrophotometry predominates in the evaluation of total phenolic content and in vitro antioxidant activity, whereas high-resolution techniques such as LC-MS, GC-MS, and NMR are increasingly employed for metabolomic characterization. From a chemometric perspective, PCA is the most widely used method, followed by PLS-DA and PLSR, whereas machine learning approaches, data preprocessing, and dimensionality reduction remain comparatively underutilized. Key future directions include the integration of biologically relevant validation systems, berry by-product valorization through functional ingredients and active food systems, wider adoption of vibrational spectroscopies, increasing implementation of machine learning and deep learning, and the development of more robust, reproducible, and transferable chemometric workflows. Overall, this review provides a foundation for improving analytical strategies and supporting evidence-based decision making, quality control, and sustainable innovation in berry research and food systems. © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2026.

Instituciones: Universidad Nacional de Trujillo