通过基于同位素的衍生物化敏感化,通过结构引导分子网络策略的结构引导分子网络策略的帮助,快速选和注释碳基亚代谢组
Dongdong Huang1, Diqiang Wang2, Hang Gao3
1School of Chemistry, Dalian University of Technology, Dalian, 116024, China; State Key Laboratory of Medical Proteomics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, 116023, China.
Analytica chimica acta
|August 18, 2025
概括
开发了一种使用化学同位素标记和结构导向分子网络策略的新方法,以识别和注释碳化合物. 这种方法提高了对酒精中的风味化合物和发酵过程的理解.
科学领域:
- 分析化学 分析化学
- 食品化学 食品化学
- 代谢学 代谢学 代谢学
背景情况:
- 碳烯化合物 (CCs) 是反应性且在生物和食品样本中普遍存在的.
- 由于光谱数据有限,现有的化学同位素标记辅助液态染色体质谱法 (CIL-LC-MS) 方法在CC注释方面面临挑战.
- 中国白的感觉特征与其CC成分有关.
研究的目的:
- 为碳化合物的综合性表征和注释制定一个改进的策略.
- 运用这种策略来分析中国白江的CC,并了解它们与风味和发酵的关系.
主要方法:
- 开发一种基于Br的新型衍生试剂,具有独特的MS特征,用于快速的CC选.
- 整合CIL-LC-MS检测与结构引导分子网络 (SGMN) 策略进行注释.
- 在六个品种的味Baijiu (SFB) 中分析CC.
主要成果:
- 通过使用开发的战略,在SFB中识别和注释了1000多个CC.
- 在CC含量和SFB等级 (例如,furfural, (E) -oct-2-enal) 之间观察到正相关性.
- 在发酵过程中,CC档案发生了显著的变化,其中第3到第5轮对于SFB特征至关重要.
结论:
- 一种新的衍生试剂和SGMN策略为碳烯化合物分析提供了一种全面的方法.
- 在Baijiu中对CC的定性和定量分析加深了对风味概况的理解.
- 这种方法有助于追踪发酵过程并改善液体质量.
相关概念视频
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