Laboratory of Analytical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis Zografou, 15771 Athens, Greece.
Laboratory of Analytical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis Zografou, 15771 Athens, Greece.
Food Chem. 2018 Aug 1;256:53-61. doi: 10.1016/j.foodchem.2018.02.101. Epub 2018 Feb 21.
An optimized and validated LC-ESI-QTOF-MS method with an integrated non-target screening workflow was applied in the investigation of the metabolomic profile of 51 Greek monovarietal extra virgin olive oils (EVOOs) from the varieties: Manaki, Ladoelia, Koroneiki, Amfissis, Chalkidikis and Kolovi. Data processing was carried out with the R language and XCMS package. A local database consisting of 1608 compounds naturally occurring in different organs of Olea Europa L. was compiled in order to accelerate the identification workflow. The preliminary examination of the distribution of EVOOs toward their cultivars was achieved by Principal Component Analysis (PCA). Ant Colony Optimization-Random Forest (ACO-RF) was developed to prioritize over 250 features and to establish a classification tree. Apigenin, vanillic acid, luteolin 7-methyl ether and oleocanthal were suggested as the markers responsible for the classification of Greek EVOOs' cultivars.
采用优化和验证的 LC-ESI-QTOF-MS 方法与集成的非靶向筛选工作流程，研究了 51 种来自希腊单品种特级初榨橄榄油（EVOO）的代谢组学特征，品种包括：马纳基、拉多利埃、科罗内利、阿莫菲西斯、哈尔基季基和科洛维。数据处理使用 R 语言和 XCMS 软件包进行。为了加速鉴定工作流程，编译了一个包含 1608 种天然存在于油橄榄不同器官中的化合物的本地数据库。通过主成分分析（PCA）初步考察了 EVOO 对其品种的分布情况。开发了蚁群优化-随机森林（ACO-RF）来优先考虑 250 多个特征，并建立分类树。芹菜素、香草酸、木樨草素 7-甲醚和橄榄苦苷被认为是区分希腊特级初榨橄榄油品种的标志物。
