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葡萄酒代谢物的H-NMR分析:方法开发和验证

Guillaume Leleu¹, Rémi Butelle¹, Daniel Jacob^2,3

¹Univ. Bordeaux, Bordeaux INP, INRAE, OENO, UMR 1366, ISVV, F-33140 Villenave d'Ornon, France.

Molecules (Basel, Switzerland)

|January 10, 2026

概括

使用质子核磁共振光谱 (1H-NMR) 的新自动化工作流程准确量化了20种葡萄酒化合物. 这种经过验证的方法提高了葡萄酒的真实性和质量控制,为世界各地的实验室提供了可靠的工具.

科学领域:

分析化学分析化学
食品科学食品科学食品科学
频谱学是一种光谱学.

背景情况:

葡萄酒是一种高价值商品,容易受到复杂的假冒和欺诈.
创新的分析方法对于葡萄酒的认证和质量控制至关重要,需要严格的验证.
质子核磁共振光谱 (1H-NMR) 提供了定量,可重现和快速的分析,使其适合官方控制.

研究的目的:

开发和验证一种标准化,自动化的工作流程,用于使用1H-NMR量化葡萄酒中的20个关键酒化合物.
建立一个高通量,经营者独立的葡萄酒分析方法.
为葡萄酒控制实验室的1H-NMR工作流程提供协调和可转移的框架.

主要方法:

开发一个自动化工作流程,包括优化样品准备,外部量化标准和光谱仪校准.
使用专门的R包 (RnmrQuant1D) 进行全自动化光谱处理.
根据OIV计量标准进行验证,评估准确性,精度,稳定性,量化极限和测量不确定性.

主要成果:

自动化的1H-NMR工作流证明了20种葡萄酒化合物的优异的线性,真实性和可重复性.
验证证实该方法的分析性能符合目标规格.
使用传统方法和动态方法估计了测量不确定性.

结论:

经过验证的工作流是强大的,易于实施,需要最小的样本,并减少操作员偏差.
这种标准化的1H-NMR方法支持葡萄酒认证,质量控制,以及大规模数据库和化学计量集成的潜力.
该研究为全球葡萄酒分析控制实验室更广泛采用1H-NMR提供了框架.

关键词:

一个H的NMR.代谢生物组的代谢生物组方法验证方法的验证方法.量化量化的量化量化量化的量化量化量.葡萄酒葡萄酒葡萄酒葡萄酒

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