Combining AcquireX™ data acquisition and Feature-Based Molecular Networking approach to deeply explore oxidation markers of condensed tannins after depolymerization

IF 9.8 1区农林科学 Q1 CHEMISTRY, APPLIED

Food Chemistry Pub Date : 2025-04-05 DOI:10.1016/j.foodchem.2025.144207

Lantomalala Elsa Razafindrabenja , Lucas Suc , Frédéric Véran , Arnaud Verbaere , Aécio Luís de Sousa Dias , Emmanuelle Meudec , Nicolas Galy , Dimitri Tixador , Christophe Loisel , Laetitia Mouls , Nicolas Sommerer

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Abstract

Feature-Based Molecular Networking approach is widely used to investigate the composition of complex matrices in various fields, particularly in chemistry. In this research, to investigate oxidation markers of condensed tannins in grape seeds, this advanced approach was combined with a depolymerization reaction with thioglycolic acid as a nucleophilic reagent and an intelligent MS/MS data acquisition using AcquireX™ Deep Scan workflow. Through this innovative combined methodology, 104 oxidation markers were highlighted, including 49 previously unreported. MS/MS analysis revealed dimers and trimers, indicating linkages between extension and terminal units, or both, with oxidation levels from 1 to at least 8. These findings enhance understanding of the structural evolution of condensed tannins, which significantly impact the quality and the stability of tannin-containing products. Moreover, this innovative analytical approach, applied here for the first time, can be extrapolated to other complex tannin-containing matrices, notably wines, offering new possibilities for chemical analysis in biomolecule research.

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结合AcquireX™数据采集和基于特征的分子网络方法，深入探索缩合单宁解聚后的氧化标记物

基于特征的分子网络方法被广泛用于研究复杂矩阵的组成，特别是在化学领域。在本研究中，为了研究葡萄籽中缩合单宁的氧化标记，将这种先进的方法与巯基乙酸作为亲核试剂的解聚反应和使用AcquireX™深度扫描工作流的智能MS/MS数据采集相结合。通过这种创新的组合方法，104氧化标记被突出，包括49以前未报道。MS/MS分析显示二聚体和三聚体，表明延伸和末端单元之间存在联系，或两者都存在，氧化水平从1到至少8。这些发现增强了对缩合单宁的结构演化的理解，这对含单宁产品的质量和稳定性有重大影响。此外，这种创新的分析方法在这里首次应用，可以外推到其他复杂的含有单宁的基质，特别是葡萄酒，为生物分子研究中的化学分析提供了新的可能性。

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来源期刊

Food Chemistry 工程技术-食品科技

CiteScore

16.30

自引率

10.20%

发文量

3130

审稿时长

122 days

期刊介绍： Food Chemistry publishes original research papers dealing with the advancement of the chemistry and biochemistry of foods or the analytical methods/ approach used. All papers should focus on the novelty of the research carried out.