Qualitative and Quantitative Control of Carbonated Cola Beverages Using 1H NMR Spectroscopy

被引:55
作者
Maes, Pauline [1 ,2 ]
Monakhova, Yulia B. [1 ,3 ,4 ]
Kuballa, Thomas [1 ]
Reusch, Helmut [1 ]
Lachenmeier, Dirk W. [1 ]
机构
[1] Chem & Vet Untersuchungsamt CVUA Karlsruhe, D-76187 Karlsruhe, Germany
[2] Ecole Europeenne Chim Polymeres & Mat Strasbourg, F-67000 Strasbourg, France
[3] Saratov NG Chernyshevskii State Univ, Dept Chem, Saratov 410012, Russia
[4] Bruker Biospin GmbH, D-76287 Siberstreifen, Rheinstetten, Germany
关键词
NMR spectroscopy; cola; soft drinks; PCA; chemometrics; MAGNETIC-RESONANCE-SPECTROSCOPY; SOFT DRINKS; ARTIFICIAL SWEETENERS; CAPILLARY-ELECTROPHORESIS; LIQUID-CHROMATOGRAPHY; MULTIVARIATE-ANALYSIS; CAFFEINE; ASPARTAME; NMR; DISCRIMINATION;
D O I
10.1021/jf204777m
中图分类号
S [农业科学];
学科分类号
09 ;
摘要
H-1 Nuclear magnetic resonance (NMR) spectroscopy (400 MHz) was used in the context of food surveillance to develop a reliable analytical tool to differentiate brands of cola beverages and to quantify selected constituents of the soft drinks. The preparation of the samples required only degassing and addition of 0.1% of TSP in D2O for locking and referencing followed by adjustment of pH to 4.5. The NMR spectra obtained can be considered as "fingerprints" and were analyzed by principal component analysis (PCA). Clusters from colas of the same brand were observed, and significant differences between premium and discount brands were found. The quantification of caffeine, acesulfame-K, aspartame, cyclamate, benzoate, hydroxymethylfurfural (HMF), sulfite ammonia caramel (E 1SOD), and vanillin was simultaneously possible using external calibration curves and applying TSP as internal standard. Limits of detection for caffeine, aspartame, acesulfame-K, and benzoate were 1.7, 3.5, 0.8, and 1.0 mg/L, respectively. Hence, NMR spectroscopy combined with chemometrics is an efficient tool for simultaneous identification of soft drinks and quantification of selected constituents.
引用
收藏
页码:2778 / 2784
页数:7
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