Natural Chemistry Research Group, Department of Chemistry, University of Turku, FI-20014 Turku, Finland.
Molecules. 2022 Oct 11;27(20):6810. doi: 10.3390/molecules27206810.
In this study, a chemotaxonomic tool was created on the basis of ultra-high-performance liquid chromatography-mass spectrometry (UHPLC-MS) for the identification of 13 common Finnish deciduous trees and shrubs from their leaf bud metabolites. The bud extracts were screened with UHPLC-ESI-QqQ-MS and UHPLC-ESI-Q-Orbitrap-MS to discover suitable markers for each species. Two approaches were tested in the marker selection: (1) unique species-specific markers to obtain selective fingerprints per species and (2) major markers to maximise the sensitivity of the fingerprints. The markers were used to create two selected ion-recording-based fingerprinting tools with UHPLC-ESI-QqQ-MS. The methods were evaluated for their selectivity, repeatability, and robustness in plant species identification by analysing leaf buds from several replicates of each species. The created chemotaxonomic tools were shown to provide unique chromatographic profiles for the studied species in less than 6 min. A variety of plant metabolites, such as flavonoids, triterpenoids, and hydroxycinnamic acid derivatives, were found to serve as good chemotaxonomic markers for the studied species. In 10 out of 13 cases, species-specific markers were superior in creating selective and repeatable fingerprints.
在这项研究中，我们基于超高效液相色谱-质谱联用技术（UHPLC-MS）创建了一种化学分类学工具，用于从芽代谢物鉴定 13 种常见的芬兰落叶乔木和灌木。使用 UHPLC-ESI-QqQ-MS 和 UHPLC-ESI-Q-Orbitrap-MS 对芽提取物进行筛选，以发现每种植物的合适标志物。在标志物选择中测试了两种方法：（1）独特的种特异性标志物，以获得每种植物的选择性指纹图谱；（2）主要标志物，以最大限度地提高指纹图谱的灵敏度。使用 UHPLC-ESI-QqQ-MS 为两种基于选定离子记录的指纹图谱工具创建了标志物。通过分析每个物种的多个重复样本的芽，评估了这些方法在植物物种鉴定中的选择性、重现性和稳健性。结果表明，创建的化学分类学工具在不到 6 分钟的时间内为研究物种提供了独特的色谱图谱。发现多种植物代谢物，如类黄酮、三萜类化合物和羟基肉桂酸衍生物，可作为研究物种的良好化学分类学标志物。在 13 种植物中，有 10 种植物的种特异性标志物在创建选择性和重现性指纹图谱方面表现更优。
