Simultaneous Structural Identification of Natural Products in Fractions of Crude Extract of the Rare Endangered Plant Anoectochilus roxburghii Using H-1 NMR/RRLC-MS Parallel Dynamic Spectroscopy

doi:10.3390/ijms12042556

	Simultaneous Structural Identification of Natural Products in Fractions of Crude Extract of the Rare Endangered Plant Anoectochilus roxburghii Using H-1 NMR/RRLC-MS Parallel Dynamic Spectroscopy
	Wang, Xiao-Xue 1,2; He, Jiu-Ming 1,2; Wang, Chun-Lan 3,4; Zhang, Rui-Ping 1,2; He, Wen-Yi 1,2; Guo, Shun-Xing 3,4; Sun, Rui-Xiang 5; Abliz, Zeper 1,2
	2011-04-01
发表期刊	INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
ISSN	1422-0067
卷号	12 期号:4 页码:2556-2571
摘要	Nuclear magnetic resonance/liquid chromatography-mass spectroscopy parallel dynamic spectroscopy (NMR/LC-MS PDS) is a method aimed at the simultaneous structural identification of natural products in complex mixtures. In this study, the method is illustrated with respect to H-1 NMR and rapid resolution liquid chromatography-mass spectroscopy (RRLC-MS) data, acquired from the crude extract of Anoectochilus roxburghii, which was separated into a series of fractions with the concentration of constituent dynamic variation using reversed-phase preparative chromatography. Through fraction ranges and intensity changing profiles in H-1 NMR/RRLC-MS PDS spectrum, 1H NMR and the extracted ion chromatogram (XIC) signals deriving from the same individual constituent, were correlated due to the signal amplitude co-variation resulting from the concentration variation of constituents in a series of incompletely separated fractions. H-1 NMR/RRLC-MS PDS was then successfully used to identify three types of natural products, including eight flavonoids, four organic acids and p-hydroxybenzaldehyde, five of which have not previously been reported in Anoectochilus roxburghii. In addition, two groups of co-eluted compounds were successfully identified. The results prove that this approach should be of benefit in the unequivocal structural determination of a variety of classes of compounds from extremely complex mixtures, such as herbs and biological samples, which will lead to improved efficiency in the identification of new potential lead compounds.
关键词	H-1 NMR/RRLC-MS parallel dynamic spectroscopy flavonoids organic acids crude extract Anoectochilus roburghii
DOI	10.3390/ijms12042556
收录类别	SCI
语种	英语
资助项目	National Key Technologies R & D Program for New Drugs[2009ZX09301-003-7-1] ; National Natural Scientific Foundation of China[20775091]
WOS研究方向	Chemistry
WOS类目	Chemistry, Multidisciplinary
WOS记录号	WOS:000289974600007
出版者	MDPI AG
引用统计	被引频次：13[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://119.78.100.204/handle/2XEOYT63/13019
专题	中国科学院计算技术研究所期刊论文_英文
通讯作者	Abliz, Zeper
作者单位	1.Chinese Acad Med Sci, Inst Mat Med, Minist Educ, Key Lab Bioact Subst & Resource Utilizat Chinese, Beijing 100050, Peoples R China 2.Peking Union Med Coll, Beijing 100050, Peoples R China 3.Chinese Acad Med Sci, Inst Med Plant Dev, Beijing 100094, Peoples R China 4.Peking Union Med Coll, Beijing 100094, Peoples R China 5.Chinese Acad Sci, Inst Comp Technol, Beijing 100080, Peoples R China
推荐引用方式 GB/T 7714	Wang, Xiao-Xue,He, Jiu-Ming,Wang, Chun-Lan,et al. Simultaneous Structural Identification of Natural Products in Fractions of Crude Extract of the Rare Endangered Plant Anoectochilus roxburghii Using H-1 NMR/RRLC-MS Parallel Dynamic Spectroscopy[J]. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,2011,12(4):2556-2571.
APA	Wang, Xiao-Xue.,He, Jiu-Ming.,Wang, Chun-Lan.,Zhang, Rui-Ping.,He, Wen-Yi.,...&Abliz, Zeper.(2011).Simultaneous Structural Identification of Natural Products in Fractions of Crude Extract of the Rare Endangered Plant Anoectochilus roxburghii Using H-1 NMR/RRLC-MS Parallel Dynamic Spectroscopy.INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,12(4),2556-2571.
MLA	Wang, Xiao-Xue,et al."Simultaneous Structural Identification of Natural Products in Fractions of Crude Extract of the Rare Endangered Plant Anoectochilus roxburghii Using H-1 NMR/RRLC-MS Parallel Dynamic Spectroscopy".INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES 12.4(2011):2556-2571.