Combining AcquireX™ data acquisition and Feature-Based Molecular Networking approach to deeply explore oxidation...

Area of Science:

• Analytical Chemistry
• Natural Product Chemistry
• Food Chemistry

Background:

• Condensed tannins are complex polyphenols crucial for plant structure and product quality.
• Understanding tannin oxidation is vital for predicting the stability and sensory attributes of tannin-rich products.
• Existing methods for analyzing tannin oxidation markers are limited in scope and sensitivity.

Purpose of the Study:

• To investigate and characterize oxidation markers in grape seed condensed tannins.
• To develop and apply an advanced analytical methodology for comprehensive tannin analysis.
• To elucidate the structural evolution and oxidation levels of condensed tannins.

Main Methods:

• Feature-Based Molecular Networking (FBMN) combined with thioglycolic acid depolymerization.
• Intelligent MS/MS data acquisition using the AcquireX™ Deep Scan workflow.
• Analysis of grape seed extracts to identify and quantify oxidation markers.

Main Results:

• 104 oxidation markers were identified, with 49 being previously unreported.
• MS/MS analysis revealed the presence of dimers and trimers with varying oxidation levels (1 to at least 8).
• The study elucidated linkages between extension and terminal units in oxidized tannin structures.

Conclusions:

• The developed methodology provides unprecedented insight into condensed tannin oxidation.
• Findings enhance the understanding of factors affecting the quality and stability of tannin-containing products.
• The approach is applicable to other complex matrices like wine, opening new avenues in biomolecule research.