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Full-Spectrum HPLC-DAD digitization combines chemical and antioxidant fingerprints for quality control of big red
Jianglei Zhang1, Mengfan Bao1, Hui Yan1
1School of Pharmacy, Shenyang Pharmaceutical University, Shenyang, Liaoning 110016, China.
Abstract:
Conventional quality control protocols for foods and medicinal products seldom integrate chemical fingerprints with bioactivity readouts, limiting their discriminative power for complex matrices. We developed a digitalization workflow that employs full-spectrum temporal-integration analysis (FTIA) and three-dimensional peak-max projection method (3D-PMPM) on HPLC-DAD data for big red robe tea. The 200-400 nm spectral cube is compressed by FTIA and 3D-PMPM and then evaluated against a reference using a binary evaluation system (BES; Sm, Pm). A post-column on-line ABTS assay produced time-aligned antioxidant fingerprints. A six-parameter "5 + 2" bracketing check verified sequence stability. Median-based activity maps located robust hotspots at peaks P2-P3 and P12; an abundance-weighted Antioxidant Activity Index provided consistent lot ranking. Process screening showed that mild citric acid (0.60-0.85%) with a 1:50 solid-liquid ratio and 20-30 min ultrasonication maximized the digital fingerprints. The workflow delivers quality control-ready, auditable metrics that co-register spectral fingerprints, composition, and antioxidant activity, and is transferable to other foods.

