摘要
基于超高效液相色谱联用高分辨质谱(UHPLC-HRMS)的非靶向代谢组学技术结合化学计量学自动化数据分析策略,分析了信阳地区乌牛早、舒茶早、白毫早、平阳特早、陕茶一号共5个茶树品种的化学成分差异。采用自动化解析方法软件平台对仪器采集的原始信号直接解析,共鉴定出生物碱、儿茶素、酚酸、氨基酸、核苷及黄酮类物质等33种差异性化合物。层次聚类分析、偏最小二乘判别分析及热图分析发现不同品种化合物的含量差异显著。在相同的生长环境和农艺措施下,乌牛早中表没食子儿茶素以及异槲皮素等黄酮,舒茶早中儿茶素及核苷,白毫早中酚酸,陕茶一号中可可碱、酚酸、黄酮等化合物含量较高,平阳特早中茶氨酸、精氨酸等氨基酸含量明显高于其他4个品种。该结果可为茶树品种的品质评价与选育推广提供理论指导。
A non-targeted metabolomics with automatic chemometric data analysis platform based on ultrahigh performance liquid chromatography-high resolution mass spectrometry(UHPLC-HRMS)was developed for investigation of the differences of chemical components in five tea cultivars.In this study,a total number of forty-five fresh tea samples(one bud and one leaf)from five cultivars,ie.Wuniuzao,Shuchazao,Baihaozao,Pingyangtezao and Shaancha 1 were collected directly from the same tea garden in Xinyang,Henan province of China,which is famous for the main producing area of Xinyang Maojian green tea. The samples were ultrasonically extracted with methanol-water(1∶ 9, by volume)for30 min, and centrifuged twice. The supernatant was separated on a Waters Acquity UPLC HSS T3(2. 1 mm × 100 mm,1. 8 μm)column by gradient elution,with acetonitrile-water(both with 0. 1%formic acid)as mobile phase.The analysis was performed using a UHPLC-Q Exactive-HRMS system with an injection volume of 1 μL.The mass spectra was acquired using an ESI source in the FULL MS/DD-MS2(TOP4)under positive ionization mode over the range of mass to charge(m/z)120-1 000.The automatic non-targeted data analysis strategy was introduced to screen the metabolites that expressed significantly among different cultivars. The chromatographic and mass spectrographic features of the metabolites could be extracted and registered automatically. Meanwhile, metabolite identification was performed based on high-resolution mass values and mass spectra of screened peaks.The raw UHPLCHRMS files were analyzed in the automatic data analysis platform and a set of thirty-three metabolites were identified,including one alkaloid,five amino acids,three catechins,four phenolic acids,six nucleotides, and fourteen flavonoids, which primarily enable the varietal discrimination. Finally,hierarchical clustering analysis(HCA), partial least squares-discriminant analysis(PLS-DA)and heatmap analysis were used for discrimination of the samples from various tea cultivars. The results showed that each cultivar has its own characteristics, in which Wuniuzao, Shuchazao and Baihaozao show a certain similarity to each other,but obviously different with the other two cultivars.Furthermore,the metabolites of five tea cultivars are significantly different under the same growth environment and agronomic conditions. Wuniuzao has higher levels of(-)-epigallocatechin and other eight flavonoids including isoquercetin, quercetin-3-O-xyloside and naringenin, etc. Shuchazao has higher levels of catechins and nucleotides.Baihaozao has higher levels of phenolic acids.Shaancha 1 has higher levels of theobromine,phenolic acids and flavonoids.The contents of theanine and arginine in Pingyangtezao were significantly higher than the other four varieties. The results obtained could offer a theoretical guidance for the quality evaluation,breeding and promotion of tea cultivars.
作者
李淑芳
刘继红
尹海燕
刘冬梅
郭晓萌
杨亚琴
王会锋
于永杰
LI Shu-fang;LIU Ji-hong;YIN Hai-yan;LIU Dong-mei;GUO Xiao-meng;YANG Ya-qin;WANG Hui-feng;YU Yong-jie(Institute of Quality Standard and Testing Technology for Agro-products,Henan Academy of Agricultural Science,Zhengzhou 450002,China;College of Pharmacy,Ningxia Medical University,Yinchuan 750004,China)
出处
《分析测试学报》
CAS
CSCD
北大核心
2022年第2期149-155,共7页
Journal of Instrumental Analysis
基金
国家自然科学基金项目(21868028,21606137)
河南省农业科学院优秀青年科技基金项目(2020YQ16)
河南省农业科学院“四优四化”科技支撑行动计划项目(202007)
宁夏回族自治区重点研发计划项目(2020BEG03039)。
关键词
茶树品种
超高效液相色谱-高分辨质谱
非靶向代谢组学
化学计量学
数据自动分析
tea cultivar
ultrahigh performance liquid chromatography-high resolution mass spectrometry
non-targeted metabolomics
chemometrics
automatic data analysis strategy
