Virgin Olive Oil Authentication by Multivariate Analyses of 1H NMR Fingerprints and δ13C and δ2H Data
Virgin Olive Oil Authentication by Multivariate Analyses of 1H NMR Fingerprints and δ13C and δ2H Data
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DOI：
10.1021/jf903989b
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发表时间：
2010-05-12
影响因子：
6.1
通讯作者：
Heberger, Karoly
中科院分区：
文献类型：
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作者：
Alonso-Salces, Rosa M.;Moreno-Rojas, Jose M.;Heberger, Karoly
采用主成分分析、线性判别分析（LDA）和偏最小二乘判别分析（PLS-DA）对来自地中海盆地（三次收获）的初榨橄榄油（VOOs）的H-1 NMR指纹图谱进行分析，以确定其在国家、地区或PDO层面的地理来源。进一步的δ C-13和δ H-2测量进行同位素比质谱（IRMS）。LDA和PLS-DA对PDO Riviera Ligure VOOs的表征结果一致。PLS-DA提供了最好的模型：对于利古里亚类，92%的油脂在建模步骤中被正确分类，88%的油脂在外部验证中被正确预测；对于非利古里亚类，分别获得了90%和86%的命中。建立了一个稳定、鲁棒的PLS-DA模型，对西西里油和非西西里油的识别能力分别为98%和89%，预测能力分别为93%和86%。在外部验证中，两类油的预测正确率均超过85%。PLS-DA对希腊和非希腊voo进行了正确的分类：在交叉验证和外部验证中，90%的样品预测正确。稳定同位素为voo的H-1核磁共振指纹图谱提供了补充的地理信息。
H-1 NMR fingerprints of virgin olive oils (VOOs) from the Mediterranean basin (three harvests) were analyzed by principal component analysis, linear discriminant analysis (LDA), and partial least-squares discriminant analysis (PLS-DA) to determine their geographical origin at the national, regional, or PDO level. Further delta C-13 and delta H-2 measurements were performed by isotope ratio mass spectrometry (IRMS). LDA and PLS-DA achieved consistent results for the characterization of PDO Riviera Ligure VOOs. PLS-DA afforded the best model: for the Liguria class, 92% of the oils were correctly classified in the modeling step, and 88% of the oils were properly predicted in the external validation; for the non-Liguria class, 90 and 86% of hits were obtained, respectively. A stable and robust PLS-DA model was obtained to authenticate VOOs from Sicily: the recognition abilities were 98% for Sicilian oils and 89% for non-Sicilian ones, and the prediction abilities were 93 and 86%, respectively. More than 85% of the oils of both categories were properly predicted in the external validation. Greek and non-Greek VOOs were properly classified by PLS-DA: >90% of the samples were correctly predicted in the cross-validation and external validation. Stable isotopes provided complementary geographical information to the H-1 NMR fingerprints of the VOOs.