Nontargeted metabolomic analysis and "commercial-homophyletic" comparison-induced biomarkers verification for the systematic chemical differentiation of five different parts of Panax ginseng

Journal of Chromatography A

Volumn 1453, Issue , 2016, Pages 78-87

  Qiu, Shi ^a,b   Yang, Wen Zhi ^a   Yao, Chang Liang ^a   Qiu, Zhi Dong ^b   Shi, Xiao Jian ^a   Zhang, Jing Xian ^a   Hou, Jin Jun ^a   Wang, Qiu Rong ^a   Wu, Wan Ying ^a   Guo, De An ^a  

^a SHANGHAI INSTITUTE OF MATERIA MEDICA   (China)

^b CHANGCHUN UNIVERSITY OF CHINESE MEDICINE   (China)

Author keywords

"Commercial homophyletic" comparison; Artificial neutral network; Panax ginseng; Robust biomarker; Ultra performance liquid chromatography quadrupole time of flight MSE; UNIFI

Indexed keywords

AUTHENTICATION; BIOINFORMATICS; BIOMOLECULES; CHEMICAL ANALYSIS; CHROMATOGRAPHY; COMMERCIAL VEHICLES; FRUITS; LIQUID CHROMATOGRAPHY; MEDICINE; METABOLITES; MULTIVARIANT ANALYSIS; PATTERN RECOGNITION; PLANT EXTRACTS;

ARTIFICIAL NEUTRAL NETWORK; CHEMICAL DIFFERENTIATION; COMMERCIAL-HOMOPHYLETIC COMPARISON; EFFICIENCY AND RELIABILITY; MULTIVARIATE STATISTICAL ANALYSIS; PANAX GINSENG; TIME-OF-FLIGHT MS; ULTRA PERFORMANCE LIQUID CHROMATOGRAPHY;

BIOMARKERS;

BIOLOGICAL MARKER; DRUG METABOLITE;

ARTICLE; ARTIFICIAL NEURAL NETWORK; BERRY; CHEMICAL ANALYSIS; COMMERCIAL HOMOPHYLETIC COMPARISON METHOD; CONTROLLED STUDY; FLOWER; GINSENG; METABOLOMICS; NONHUMAN; PLANT LEAF; PLANT ROOT; PLANT SEED; PLANT STRUCTURES; PRIORITY JOURNAL; QUADRUPOLE TIME OF FLIGHT MASS SPECTROMETRY; SPECIES DIFFERENCE; STATISTICAL ANALYSIS; TIME OF FLIGHT MASS SPECTROMETRY; ULTRA PERFORMANCE LIQUID CHROMATOGRAPHY; CHEMISTRY; HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; MEDICINAL PLANT; METABOLISM; MULTIVARIATE ANALYSIS; PANAX; PROCEDURES; REPRODUCIBILITY; TANDEM MASS SPECTROMETRY;

BIOMARKERS; CHROMATOGRAPHY, HIGH PRESSURE LIQUID; METABOLOMICS; MULTIVARIATE ANALYSIS; PANAX; PLANT LEAVES; PLANT ROOTS; PLANTS, MEDICINAL; REPRODUCIBILITY OF RESULTS; TANDEM MASS SPECTROMETRY;

EID: 84969941124     PISSN: 00219673     EISSN: 18733778     Source Type: Journal    
DOI: 10.1016/j.chroma.2016.05.051     Document Type: Article

References (41)

1. Gao H.M., Wang Z.M., Li Y.J., Qian Z.Z. Overview of the quality standard research of traditional chinese medicine. Front. Med. 2011, 5:195-202.
2. Song Y.L., Zhang N., Shi S.P., Li J., Zhao Y.F., Zhang Q., Jiang Y., Tu P.F. Homolog-focused profiling of ginsenosides based on the integration of step-wise formate anion-to-deprotonated ion transition screening and scheduled multiple reaction monitoring. J. Chromatogr. A 2015, 1406:136-144.
3. Liang J., Wu W.Y., Sun G.X., Wang D.D., Hou J.J., Yang W.Z., Jiang B.H., Liu X., Guo D.A. A dynamic multiple reaction monitoring method for the multiple components quantification of complex traditional chinese medicine preparations: Niuhuang Shangqing pill as an example. J. Chromatogr. A 2013, 1294:58-69.
4. Yang W.Z., Ye M., Qiao X., Liu C.F., Miao W.J., Bo T., Tao H.Y., Guo D.A. A strategy for efficient discovery of new natural compounds by integrating orthogonal column chromatography and liquid chromatography/mass spectrometry analysis: its application in Panax ginseng, Panax quinquefolium and Panax notoginseng to characterize 437 potential new ginsenosides. Anal. Chim. Acta 2012, 739:56-66.
5. Qiu S., Yang W.Z., Shi X.J., Yao C.L., Yang M., Liu X., Jiang B.H., Wu W.Y., Guo D.A. A green protocol for efficient discovery of novel natural compounds: characterization of new ginsenosides from the stems and leaves of Panax ginseng as a case study. Anal. Chim. Acta 2015, 893:65-76.
6. Mao Q., Bai M., Xu J.D., Kong M., Zhu L.Y., Zhu H., Wang Q., Li S.L. Discrimination of leaves of Panax ginseng and P. quinquefolius by ultra high performance liquid chromatography quadrupole/time-of-flight mass spectrometry based metabolomics approach. J. Pharm. Biomed. Anal. 2014, 97:129-140.
7. 1H NMR metabolite fingerprinting. Food Chem. 2015, 173:890-896.
8. Sun X.B., Chen P., Cook S.L., Jackson G.P., Harnly J.M., Harrington P.B. Classification of cultivation locations of Panax quinquefolius L. samples using high performance liquid chromatography-electrospray ionization mass spectrometry and chemometric analysis. Anal. Chem. 2012, 84:3628-3634.
9. Kim N., Kim K., Lee D.H., Shin Y.S., Bang K.H., Cha S.W., Lee J.W., Choi H.K., Hwang B.Y., Lee D. Nontargeted metabolomics approach for age differentiation and structure interpretation of age-dependent key constituents in hairy roots of Panax ginseng. J. Nat. Prod. 2012, 75:1777-1784.
10. Wang J.R., Yau L.F., Gao W.N., Lin Y., Yick P.W., Liu L., Jiang Z.H. Quantitative comparison and metabolite profiling of saponins in different parts of the root of Panax notoginseng. J. Agric. Food Chem. 2014, 62:9024-9034.
11. Zhao Y., Kang L.P., Yu H.S., Zhang J., Xiong C.Q., Pang X., Gao Y., Liu C., Ma B.P. Structure characterization and identification of steroidal saponins from the rhizomes of Anemarrhena asphodeloides by ultra performance liquid chromatography and hybrid quadrupole time-of-flight mass spectrometry. Int. J. Mass Spectrom. 2013, 341-342:7-17.
12. Si W., Yang W.Z., Guo D.A., Wu J., Zhang J.X., Qiu S., Yao C.L., Cui Y.J., Wu W.Y. Selective ion monitoring of quinochalcone C-glycoside markers for the simultaneous identification of Carthamus tinctorius L. in eleven chinese patent medicines by UHPLC/QTOF MS. J. Pharm. Biomed. Anal. 2016, 117:510-521.
13. Pan H.Q., Yang W.Z., Zhang Y.B., Yang M., Feng R.H., Wu W.Y., Guo D.A. An integrated strategy for the systematic characterization and discovery of new indole alkaloids from Uncaria rhynchophylla by UHPLC/DAD/LTQ-Orbitrap-MS. Anal. Bioanal. Chem. 2015, 407:6057-6070.
14. Yang W.Z., Si W., Zhang J.X., Yang M., Pan H.Q., Wu J., Qiu S., Yao C.L., Hou J.J., Wu W.Y., Guo D.A. Selective and comprehensive characterization of the quinochalcone C-glycoside homologs in Carthamus tinctorius L. by offline comprehensive two-dimensional liquid chromatography/LTQ-Orbitrap MS coupled with versatile data mining strategies. RSC Adv. 2016, 6:495-506.
15. Zhang Q., Wang G.J., Du Y., Xiang B.R., Deng H.S., A J.Y., Ma B. Application of several pattern recognition methods in metabonomic research of rat hyperlipidemia. J. China Pharm. Univ. 2009, 40:448-454.
16. Harnly J., Chen P., de P., Harrington B. Probability of identification: adulteration of American ginseng with Asian ginseng. J. AOAC Int. 2013, 96:1258-1265.
17. n based metabolic profile from green tea. Anal. Chem. 2013, 85:6033-6040.
18. Tautenhahn R., Cho K., Uritboonthai W., Zhu Z.J., Patti G.J., Siuzdak G. An accelerated workflow for untargeted metabolomics using the METLIN database. Nat. Biotechnol. 2012, 30:826-828.
19. Angelova N., Kong H.W., van der Heijden R., Yang S.Y., Choi Y.H., Kim H.K., Wang M., Hankemeier T., van der Greef J., Xu G.W., Verpoorte R. Recent methodology in the phytochemical analysis of Ginseng. Phytochem. Anal. 2008, 19:2-16.
20. Fan T.P., Yeh J.C., Leung K.W., Yue P.Y.K., Wong R.N.S. Angiogenesis: from plants to blood vessels. Trends Pharmacol. Sci. 2006, 27:297-309.
21. Chen C.F., Chiou W.F., Zhang J.T. Comparison of the pharmacological effects of Panax ginseng and Panax quinquefolium. Acta Pharmacol. Sin. 2008, 29:1103-1108.
22. Shin B.K., Kwon S.W., Park J.H. Chemical diversity of ginseng saponins from Panax ginseng. J. Ginseng Res. 2015, 39:287-298.
23. Yang W.Z., Hu Y., Wu W.Y., Ye M., Guo D.A. Saponins in the genus Panax L. (Araliaceae): a systematic review of their chemical diversity. Phytochemistry 2014, 106:7-24.
24. Chinese Pharmacopoeia Commission Pharmacopoeia of the People's Republic of China 2015, vol. 1:8-10. Chinese Medical Science and Technology Press, Beijing. 2015 ed.
25. Pan X.L., Li Z.L., Qian S.H., Pu S.B. Chemical constituents of the flower buds of Panax ginseng. Chem. Nat. Com. 2015, 51:559-560.
26. Li L., Luo G.A., Yang Q.L., Hu P., Wang Y.M. Rapid qualitative and quantitative analyses of Asian ginseng in adulterated American ginseng preparations by UPLC/Q-TOF-MS. J. Pharm. Biomed. Anal. 2010, 52:66-72.
27. Pace R., Martinelli E.M., Sardone N., Dombarieu E. Metabolomic evaluation of ginsenosides distribution in Panax genus (Panax ginseng and Panax quinquefolius) using multivariate statistical analysis. Fitoterapia 2015, 101:80-91.
28. Kim S., Shin B.K., Lim D.K., Yang T.J., Lim J., Park J.H., Kwon S.W. Expeditious discrimination of four species of the Panax genus using direct infusion-MS/MS combined with multivariate statistical analysis. J. Chromatogr. B 2015, 1002:329-336.
29. Chan T.W.D., But P.P.H., Cheng S.W., Kwok I.M.Y., Lau F.W., Xu H.X. Differentiation and authentication of Panax ginseng Panax quinquefolius, and ginseng products by using. HPLC/MS. Anal. Chem. 2000, 72:1281-1287.
30. Flora of China Editorial Committee, Flora of China, vol. 54, Science Press Beijing, 1978.
31. Wu W., Lu Z.Y., Teng Y.R., Guo Y.Y., Liu S.Y. Structural characterization of ginsenosides from flower buds of Panax ginseng by RRLC-Q-TOF MS. J. Chromatogr. Sci. 2016, 54:136-143.
32. Lee J.W., Ji S.H., Lee M.K., Kim G.S., Ahn Y.S., Ko H.J., Baek N.I., Lee D.Y. Metabolomics based on UPLC-QTOF/MS applied for the discrimination of Cynanchum wilfordii and Cynanchum auriculatum. Metabolomics 2015, 5:1000152.
33. Agatonovic-Kustrin S., Loescher C.M. Qualitative and quantitative high performance thin layer chromatography analysis of Calendula officinalis using high resolution plate imaging and artificial neutral network data modeling. Anal. Chim. Acta 2013, 798:103-108.
34. Wang H.F., Zhao Y.Y., Yan F., Liu H. Evaluation of an artificial neutral network to ascertain why there is a high incidence of hepatitis B in the Chinese population after vaccination. Comput. Biol. Med. 2013, 43:1167-1170.
35. Qi L.W., Wang C.Z., Yuan C.S. Isolation and analysis of ginseng: advances and challenges. Nat. Prod. Rep. 2011, 28:467-495.
36. Duthaler U., Keiser J., Huwyler J. LC-MS/MS method for the determination of two metabolites of tribendimidine deacylated amidantel and its acetylated metabolite in plasma, blood and dried blood spots. J. Pharm. Biomed. Anal. 2015, 105:163-173.
37. Wu L., Gong P., Wu Y.Z., Liao K., Shen H.Y., Qi Q., Liu H.Y., Wang G.J., Hao H.P. An integral strategy toward the rapid identification of analogous nontarget compounds from complex mixtures. J. Chromatogr. A 2013, 1303:39-47.
38. Zeng Z.D., Liu X.Y., Dai W.D., Yin P.Y., Zhou L.N., Huang Q., Lin X.H., Xu G.W. Ion fusion of high-resolution LC-MS-based metabolomics data to discover more reliable biomarkers. Anal. Chem. 2014, 86:3793-3800.
39. Zheng Y., Li X.W., Gui M.Y., Jin Y.R. Studies on flavonoids from stems and leaves of Panax notoginseng. Chin. Pharm. J. 2006, 41:176-178.
40. Jang H.J., Han I.H., Kim Y.J., Yamabe N., Lee D., Hwang G.S., Oh M., Choi K.C., Kim S.N., Ham J., Eom D.W., Kang K.S. Anticarcinogenic effects of products of heat-processed ginsenoside Re a major constituent of ginseng berry, on human gastric cancer cells. J. Agric. Food Chem. 2014, 62:2830-2836.
41. Choi S.Y., Cho C.W., Lee Y., Kim S.S., Lee S.H., Kim K.T. Comparison of ginsenoside and phenolic ingredient contents in hydroponically-cultivated ginseng leaves fruits, and roots. J. Ginseng Res. 2012, 36:425-429.