Zhou Fei, Peng Jiyu, Zhao Yajing, Huang Weisu, Jiang Yirong, Li Maiquan, Wu Xiaodan, Lu Baiyi
Zhejiang University, College of Biosystems Engineering and Food Science, Fuli Institute of Food Science, Zhejiang Key Laboratory for Agro-Food Processing, Zhejiang R & D Center for Food Technology and Equipment, Key Laboratory for Agro-Food Risk Assessment of Ministry of Agriculture, Hangzhou 310058, China.
Zhejiang Economic & Trade Polytechnic, Department of Applied Technology, Hangzhou 310018, China.
Food Chem. 2017 Feb 15;217:490-497. doi: 10.1016/j.foodchem.2016.08.125. Epub 2016 Aug 31.
This study was aimed to classify the varieties and predict the antioxidant activity of Osmanthus fragrans flowers by UPLC-PDA/QTOF-MS and multivariable analysis. The PLS-DA model successfully classified the four varieties based on both the 21 identified compounds and the effective compounds. For the antioxidant activity prediction, PLS performed well to predict the antioxidant activity of O. fragrans flowers. Furthermore, acteoside, suspensaside A, ligustroside, forsythoside A, phillygenin and caffeic acid were selected as effective compounds by UVE-SPA for prediction. On the basis of effective compounds, PLS, MLR and PCR were applied to establish the calibration models. The UVE-SPA-MLR model was the optimal method to predict the antioxidant activity values with Rp of 0.9200, 0.9010 and 0.8905 for DPPH, ABTS and FRAP assays, respectively. The results revealed that the UPLC-PDA/QTOF-MS combined with chemometrics could be a new method to classify the varieties and predict the antioxidant activity of O. fragrans flowers.
本研究旨在通过超高效液相色谱-光电二极管阵列/四极杆飞行时间质谱联用仪(UPLC-PDA/QTOF-MS)和多变量分析对桂花品种进行分类并预测其抗氧化活性。偏最小二乘判别分析(PLS-DA)模型基于21种已鉴定化合物和有效化合物成功地对四个品种进行了分类。对于抗氧化活性预测,偏最小二乘法(PLS)在预测桂花抗氧化活性方面表现良好。此外,通过无信息变量消除-连续投影算法(UVE-SPA)选择了毛蕊花糖苷、悬钩子苷A、女贞苷、连翘酯苷A、连翘苷元和咖啡酸作为有效化合物进行预测。基于有效化合物,应用PLS、多元线性回归(MLR)和主成分回归(PCR)建立校准模型。UVE-SPA-MLR模型是预测抗氧化活性值的最佳方法,对于二苯基苦味酰基自由基(DPPH)、2,2'-联氮-双-3-乙基苯并噻唑啉-6-磺酸(ABTS)和铁离子还原抗氧化能力(FRAP)测定,其相关系数(Rp)分别为0.9200、0.9010和0.8905。结果表明,UPLC-PDA/QTOF-MS结合化学计量学可成为一种对桂花品种进行分类并预测其抗氧化活性的新方法。