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基于核磁共振(NMR)方法的啤酒中有机酸的定量分析。

Quantification of organic acids in beer by nuclear magnetic resonance (NMR)-based methods.

机构信息

CICECO-Department of Chemistry, University of Aveiro, Campus de Santiago, 3810-193 Aveiro, Portugal.

出版信息

Anal Chim Acta. 2010 Aug 3;674(2):166-75. doi: 10.1016/j.aca.2010.06.029. Epub 2010 Jul 7.

Abstract

The organic acids present in beer provide important information on the product's quality and history, determining organoleptic properties and being useful indicators of fermentation performance. NMR spectroscopy may be used for rapid quantification of organic acids in beer and different NMR-based methodologies are hereby compared for the six main acids found in beer (acetic, citric, lactic, malic, pyruvic and succinic). The use of partial least squares (PLS) regression enables faster quantification, compared to traditional integration methods, and the performance of PLS models built using different reference methods (capillary electrophoresis (CE), both with direct and indirect UV detection, and enzymatic essays) was investigated. The best multivariate models were obtained using CE/indirect detection and enzymatic essays as reference and their response was compared with NMR integration, either using an internal reference or an electrical reference signal (Electronic REference To access In vivo Concentrations, ERETIC). NMR integration results generally agree with those obtained by PLS, with some overestimation for malic and pyruvic acids, probably due to peak overlap and subsequent integral errors, and an apparent relative underestimation for citric acid. Overall, these results make the PLS-NMR method an interesting choice for organic acid quantification in beer.

摘要

啤酒中存在的有机酸可提供关于产品质量和历史的重要信息,决定感官特性,并且是发酵性能的有用指标。NMR 光谱可用于快速定量啤酒中的有机酸,并且在此比较了不同的基于 NMR 的方法,以用于定量啤酒中发现的六种主要酸(乙酸、柠檬酸、乳酸、苹果酸、丙酮酸和琥珀酸)。与传统积分方法相比,偏最小二乘(PLS)回归的使用可以实现更快的定量,并且研究了使用不同参考方法(毛细管电泳(CE),均具有直接和间接 UV 检测,以及酶法测定)构建的 PLS 模型的性能。使用 CE/间接检测和酶法测定作为参考获得了最佳的多元模型,并且比较了它们与 NMR 积分的响应,无论是使用内部参考还是电参考信号(Electronic REference To access In vivo Concentrations,ERETIC)。NMR 积分结果通常与 PLS 获得的结果一致,但对于苹果酸和丙酮酸存在一些高估,可能是由于峰重叠和随后的积分误差,以及柠檬酸的明显相对低估。总的来说,这些结果使得 PLS-NMR 方法成为啤酒中有机酸定量的一种有趣选择。

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