Systematic characterization and quantification of Rubiaceae-type cyclopeptides in 20 Rubia species by ultra performance liquid chromatography tandem mass spectrometry combined with chemometrics

doi:10.1016/j.chroma.2018.10.049

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	Systematic characterization and quantification of Rubiaceae-type cyclopeptides in 20 Rubia species by ultra performance liquid chromatography tandem mass spectrometry combined with chemometrics
	Zhang, Xuejia 1,2; Bi, Qirui 1; Wu, Xingdong 1; Wang, Zhe1 ; Miao, Yuanyuan 1; Tan, Ninghua 1,2
通讯作者	Miao, Yuanyuan(miaoyuanyuan1989@163.com) ; Tan, Ninghua(nhtan@cpu.edu.cn)
	2018-12-21
发表期刊	JOURNAL OF CHROMATOGRAPHY A
ISSN	0021-9673
卷号	1581 页码:43-54
摘要	Rubiaceae-type cyclopeptides (RAs) are one of characteristic constituents isolated from Rubia species, which are candidates of innovative anti-tumor drugs due to their significant bioactivity. However, approaches on the systematic characterization and quantification of RAs are still not available because of low contents and complicated purification. In this study, an ultra performance liquid chromatography coupled triple quadrupole tandem mass spectrometry (UPLC-QqQ-MS/MS) method was established and validated for qualitative and quantitative analysis of 14 RAs (1-14) in 20 Rubia plants from China. The separation was achieved on a Waters ACQUITY UPLC (R) BEH C-18 column (50 x 2.1 mm, 1.7 mu m) using gradient elution with a mobile phase consisting of 0.1% formic acid in acetonitrile and water. Multiple reaction monitoring (MRM) in positive mode was used to enable the selective detection of RAs from the Rubia root and rhizome extracts within 10 min. This method was proved to be specific, sensitive, precise, and accurate with the limits of detection and quantification at 0.6-11.4 ng/mL and 1.9-34.2 ng/mL, respectively, and the relative standard deviation (RSD) of the overall intra-day and inter-day precision less than 5.24%. Satisfactory recovery was obtained from 83.80% to 111.77%, with the RSD less than 5.32%. Totally, 67 samples were then qualitatively and quantitatively analyzed by this method and 51 of them were proved to contain RAs. Thereinto, R. podantha and R. yunnanensis from Yunnan were the two most abundant species. Additionally, RAs were detected in 8 Rubia species for the first time. Then chemometric approaches were revealed to explain the relationship between samples based on their contents of RAs. This study demonstrated that the method was not only useful for RAs source discovery and chemotaxonomy of Rubia species, but also could be extended to standardization of RAs medical materials and their new drug research and development. (C) 2018 Elsevier B.V. All rights reserved.
关键词	Rubiaceae-type cyclopeptides Rubia UPLC-QqQ-MS/MS Multiple reaction monitoring Chemometric approach Chemotaxonomy
DOI	10.1016/j.chroma.2018.10.049
收录类别	SCI
语种	英语
WOS记录号	WOS:000453490100006
引用统计	被引频次：14[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.kib.ac.cn/handle/151853/64660
专题	中国科学院昆明植物研究所
通讯作者	Miao, Yuanyuan; Tan, Ninghua
作者单位	1.China Pharmaceut Univ, Sch Tradit Chinese Pharm, Dept TCMs Pharmaceut, State Key Lab Nat Med, Nanjing 211198, Jiangsu, Peoples R China 2.Chinese Acad Sci, Kunming Inst Bot, State Key Lab Phytochem & Plant Resources West Ch, Kunming 650201, Yunnan, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Xuejia,Bi, Qirui,Wu, Xingdong,et al. Systematic characterization and quantification of Rubiaceae-type cyclopeptides in 20 Rubia species by ultra performance liquid chromatography tandem mass spectrometry combined with chemometrics[J]. JOURNAL OF CHROMATOGRAPHY A,2018,1581:43-54.
APA	Zhang, Xuejia,Bi, Qirui,Wu, Xingdong,Wang, Zhe,Miao, Yuanyuan,&Tan, Ninghua.(2018).Systematic characterization and quantification of Rubiaceae-type cyclopeptides in 20 Rubia species by ultra performance liquid chromatography tandem mass spectrometry combined with chemometrics.JOURNAL OF CHROMATOGRAPHY A,1581,43-54.
MLA	Zhang, Xuejia,et al."Systematic characterization and quantification of Rubiaceae-type cyclopeptides in 20 Rubia species by ultra performance liquid chromatography tandem mass spectrometry combined with chemometrics".JOURNAL OF CHROMATOGRAPHY A 1581(2018):43-54.