使用TIMS-MS,环极提取物和计算化学,对肉酸衍生物的结构阐明和定量分析
Xueqian Sun1, Ziyu Qu2, Di Zhang2
1Institute of Mass Spectrometry, School of Material Science and Chemical Engineering, Ningbo University, Ningbo, Zhejiang 315211, China.
Food chemistry
|February 6, 2026
概括
一种新的TIMS-MS方法快速区分使用环氧和金属离子的酸衍生物 (CAD) 异构体. 这种方法提供了一个快速,灵敏和准确的平台来分析生物活性食品成分,提高食品质量控制.
科学领域:
- 分析化学 分析化学
- 计算化学计算化学
- 食品科学 食品科学 食品科学
背景情况:
- 酸衍生物 (CAD) 是各种食物来源中发现的重要生物活性化合物.
- 区分和量化CAD异构体对于食品质量评估至关重要.
- 现有的方法往往涉及复杂的衍生或染色分离.
研究的目的:
- 开发一种快速的方法来区分和量化CAD异构体.
- 利用计算化学来理解分离机制.
- 为食品分析提供简单直接的分析平台.
主要方法:
- 实施了一种快速的TIMS-MS (捕获离子移动光谱-质谱) 方法.
- 利用计算化学分析非共价复合体形成.
- 用于异构体分离的循环德克斯 (CD) 和金属离子.
- 从叶和肉粉中分析了样本.
主要成果:
- 为CAD异构体分离实现了出色的分辨率 (Rp-p高达1.05).
- 证明了高灵敏度 (LOD ≤3.27 ng·mL-1) 和线性 (R2>0.99).
- 在真实食品样本中成功量化了CAD异构体,具有良好的回收率 (≥80.60%) 和精度 (RSD ≤5.75%).
- 计算分析证实了低误差 (≤3.46%) 的实验观测结果.
结论:
- 开发的TIMS-MS方法为CAD异构体分析提供了快速,灵敏和准确的方法.
- 该方法避免了化学衍生和色谱分离,简化了分析.
- 这种技术对生物活性食品成分和质量控制的直接分析具有重大前景.
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