Department of Chemistry, University of Lleida-DBA, R+D Tecnio Center, Avda. Alcalde Rovira Roure, 191, E-25198 Lleida, Spain.
Scientific Technical Service DATCEM, University of Lleida, Avda. Alcalde Rovira Roure, 191, E-25198 Lleida, Spain.
Molecules. 2019 Sep 10;24(18):3289. doi: 10.3390/molecules24183289.
Here we authenticated single-varietal peach purees and pear juices on the basis of primary metabolite and phenolic compound analysis by Proton Nuclear Magnetic Resonance (H-NMR) and Ultra Performance Liquid Chromatography coupled to Photodiode Array and Tandem Mass Spectrometry (UPLC-PDA-MS/MS), respectively. After suitable preprocessing, the H-NMR and chromatographic data were evaluated by principal component analysis (PCA). The PCA combining data from primary metabolites and phenolic compounds allowed the separation of the clusters in all cases, allowing discrimination of processed and unprocessed peach purees, both separately and pooled. The PCA of primary metabolites allowed the cluster separation of purees of distinct peach varieties but not between processed and non-processed purees. The PCA of phenolic compounds allowed better cluster separation than of primary metabolites. For pear juices, both PCA approaches allowed satisfactory discrimination of Alejandrina, Conference, and Blanquilla cultivars. These approaches may help to better control cultivar authenticity in fruit products. It could therefore contribute to the development of a process to achieve products characterized by a quality characteristic of a given cultivar.
我们基于质子核磁共振（H-NMR）和超高效液相色谱-光电二极管阵列-串联质谱联用（UPLC-PDA-MS/MS）对分别进行初级代谢物和酚类化合物分析，对单一品种桃泥和梨汁进行了鉴定。在进行适当的预处理后，通过主成分分析（PCA）对 H-NMR 和色谱数据进行了评估。主成分分析结合初级代谢物和酚类化合物的数据，在所有情况下都允许对聚类进行分离，从而能够区分加工和未加工的桃泥，无论是单独的还是混合的。初级代谢物的主成分分析允许不同桃品种的泥分离聚类，但不能区分加工和非加工的泥。酚类化合物的主成分分析比初级代谢物的主成分分析能更好地进行聚类分离。对于梨汁，两种 PCA 方法都可以很好地区分亚历山德里娜、会议和布兰奎拉品种。这些方法可以帮助更好地控制水果产品的品种真实性。因此，它可以为实现具有特定品种质量特性的产品的过程开发做出贡献。
