Quantification of organic and amino acids in beer by 1H NMR spectroscopy
Quantification of organic and amino acids in beer by 1H NMR spectroscopy
复制标题
DOI：
10.1021/ac0496852
复制
发表时间：
2004-08-15
影响因子：
7.4
通讯作者：
Duus, JO
中科院分区：
文献类型：
--
作者：
Nord, LI;Vaag, P;Duus, JO
利用H-1核磁共振波谱法对啤酒中的有机酸和氨基酸进行定量分析。通过光谱中信号的积分以及使用校准参考和通过使用偏最小二乘（PLS）回归进行定量。将NMR定量结果与HPLC氨基酸分析和毛细管电泳有机酸分析测定结果进行了比较。所描述的基于NMR的方法可以令人满意地用于定量啤酒中的几种研究代谢物，其浓度低至10 mg/L，并且与HPLC和毛细管电泳获得的结果相比，大多数代谢物具有良好至高的准确度（R-2 0.90-0.99）。这是通过简单的样品制备和在几分钟内获得的一维1H NMR光谱实现的。PLS的使用明显提高了定量的准确性，根据HPLC和毛细管电泳获得的结果进行比较，并且还允许测定光谱中具有部分重叠信号的组分。NMR光谱结合PLS将是一个有用的工具，代谢物的定量，不仅在啤酒，而且在其他饮料和生物流体。
The quantification of organic and amino acids in beer using H-1 NMR spectroscopy is demonstrated. Quantification was made both by integration of signals in the spectra together with use of calibration references and by use of partial least-squares (PLS) regression. Results from the NMR quantifications were compared with those obtained from determinations by amino acid analysis on HPLC and organic acid analysis by capillary electrophoresis. The described NMR-based methods could satisfactorily be used for quantification of several of the investigated metabolites in beer down to similar to10 mg/L and for most with a good to high accuracy compared to results obtained by HPLC and capillary electrophoresis (R-2 0.90-0.99). This was achieved with a simple sample preparation and one-dimensional 1H NMR spectra obtained in a few minutes. The use of PLS clearly improves the accuracy of the quantifications, based on comparison to results obtained by HPLC and capillary electrophoresis, and furthermore permits the determination of components with partially overlapped signals in the spectrum. NMR spectroscopy in combination with PLS will be a useful tool for the quantification of metabolites, not only in beer but also in other beverages and biofluids.