High-resolution pure shift NMR spectroscopy offers better metabolite discrimination in food quality analysis. (November 2019)

• Record Type: Journal Article
• Authors: Bo, Yu; Feng, Jianghua; Xu, JingJing; Huang, Yuqing; Cai, Honghao; Cui, Xiaohong; Dong, Jiyang; Ding, Shangwu; Chen, Zhong
• Is Part Of: Food research international. Volume 125(2019)
• Publication Date: 2019-11
• Subjects: Pure shift spectroscopy -- PSYCHE -- High-resolution NMR -- Homonuclear decoupling -- Adulteration of honey -- Originality discrimination of tea; Food -- Analysis -- Periodicals; Food industry and trade -- Periodicals; Food industry and trade -- Canada -- Periodicals; Food Technology -- Periodicals; Food -- Periodicals; Food-Processing Industry -- Periodicals; Aliments -- Industrie et commerce -- Périodiques; Aliments -- Industrie et commerce -- Canada -- Périodiques; Aliments -- Recherche -- Périodiques; Food industry and trade; Canada; Periodicals; Electronic journals; 664.005
• DOI: 10.1016/j.foodres.2019.108574
• Languages: English
• ISSNs: 0963-9969

Abstract

Abstract: PSYCHE homonuclear decoupling, a prominent pure shift NMR method, is successfully applied to adulteration discrimination of honey and geographical originality identification of tea. Effects of homonuclear couplings are efficiently suppressed, producing resolution-enhanced spectra. The pair wise honey and tea samples are well separated in OPLS-DA models with high predictability. Due to the well-resolved and accurate assignment of singlet resonances after decoupling, PSYCHE is advantageous in the identification of differential components and accurate quantification of compound concentrations presented by enhanced volcano and Beeswarm plots of honey samples, while the analysis of NOESY is easily interfered by overlapped resonances, which is further proved by the STOCSY analysis, displaying the spectral stability and reproducibility. Experimental results show that PSYCHE can improve the spectral resolution of natural complex products such as honey and tea and be combined with multivariate statistical analysis and serve as a supplementary technique to the standard methods, especially for samples systems composed by a few high-content compounds. Graphical abstract: Unlabelled Image Highlights: Much better resolved pure shift 1 H NMR spectra for honey and tea are obtained. Comprehensive quality analysis models can be built and their reliability and robustness have been verified. Adulteration discrimination of honey and geographical originality identification of tea have been demonstrated. PSYCHE is advantageous in componential identification and compound concentration quantification.