Data-Driven Optimization of Polyphenol Recovery and Antioxidant Capacity from Medicinal Herbs Using Chemometrics and HPLC Profiling for Functional Food Applications

Athanasiadis V. · International Journal of Molecular Sciences · 2026 · 2 citations

What if the secret to a healthier snack lies in a mathematical formula? Scientists just used data-driven optimization to unlock the antioxidant power of five medicinal herbs—and the results are impressive.

Medicinal herbs are more than folklore—they're chemical treasure chests. But extracting their beneficial polyphenols isn't guesswork; it's a science of precision. Researchers combined response surface methodology (RSM) and partial least squares (PLS) regression to find the sweet spot for maximum antioxidant yield from five herbs, including Helichrysum stoechas and Mentha pulegium. They tested different extraction techniques and solvent-to-solid ratios, measuring total polyphenols, flavonoids, and antioxidant power.

The winner? Mentha pulegium, extracted with 60% ethanol at a 55 mL/g ratio, delivered a potent mix: 37.54 mg GAE/g of polyphenols and strong free-radical scavenging activity. HPLC analysis revealed 18 polyphenolic compounds, led by kaempferol-3-O-β-rutinoside, protocatechuic acid, and luteolin-7-O-glucoside—each with unique health benefits, from cardioprotection to anti-inflammatory effects.

Statistical models confirmed the approach: principal component analysis explained 84.8% of the variance, cleanly separating optimized from non-optimized extracts. This isn't just lab data—it's a blueprint for creating functional foods with proven antioxidant potential, turning traditional herbs into modern health solutions.

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