Recent developments in chromatographic fingerprints from herbal products: Set-up and data analysis

Combinatorial Chemistry and High Throughput Screening

Volumn 13, Issue 10, 2010, Pages 900-922

  Alaerts, Goedele ^a   Dejaegher, Bieke ^a   Smeyers Verbeke, Johanna ^a   Vander Heyden, Yvan ^a  

^a VRIJE UNIVERSITEIT BRUSSEL   (Belgium)

Author keywords

Chromatographic fingerprint; Classification; Data analysis; Herbal products; Identification; Multivariate calibration; Quality control

Indexed keywords

HERBACEOUS AGENT;

ARTICLE; CHROMATOGRAPHIC FINGERPRINT; CHROMATOGRAPHY; DRUG IDENTIFICATION; FORCED FLOW PLANAR CHROMATOGRAPHY; GAS CHROMATOGRAPHY; HIGH PERFORMANCE THIN LAYER CHROMATOGRAPHY; HIGH PERFORMANCE THIN LAYER CHROMATOGRAPHY DIODE ARRAY DETECTION; HIGH SPEED COUNTER CURRENT CHROMATOGRAPHY; HYDROPHILIC INTERACTION CHROMATOGRAPHY; PRIORITY JOURNAL; QUALITY CONTROL; REVERSED PHASE HIGH PERFORMANCE LIQUID CHROMATOGRAPHY; THIN LAYER CHROMATOGRAPHY; ULTRA HIGH PERFORMANCE THIN LAYER CHROMATOGRAPHY;

CHROMATOGRAPHY; HERBAL MEDICINE; PHARMACEUTICAL PREPARATIONS; PLANT EXTRACTS; PLANTS, MEDICINAL; QUALITY CONTROL;

EID: 79951592480     PISSN: 13862073     EISSN: None     Source Type: Journal    
DOI: 10.2174/138620710793360284     Document Type: Article

References (189)

1. WHO Traditional Medicine Strategy 2002-2005, WHO/EDM/TRM/2002.1. World Health Organization: Geneva, 2002. http://whqlibdoc.who.int/hq/2002/WHO-EDM-TRM- 2002.1.pdf (Accessed March 09, 2010).
2. Zou, P.; Hong, Y.; Koh, H.L. Chemical fingerprinting of Isatis indigotica root by RP-HPLC and hierarchical clustering analysis. J. Pharm. Biomed. Anal., 2005, 38, 514-520. (Pubitemid 40733189)
3. Yang, L.W.; Wu, D.H.; Tang, X.; Peng, W.; Wang, X.R.; Ma, Y.; Su, W.W. Fingerprint quality control of Tianjihuang by highperformance liquid chromatography-photodiode array detection. J. Chromatogr. A, 2005, 1070, 35-42. (Pubitemid 40417764)
4. Alaerts, G.; Matthijs, N.; Smeyers-Verbeke, J.; Vander Heyden, Y. Chromatographic fingerprint development for herbal extracts: A screening and optimization methodology on monolithic columns. J. Chromatogr. A, 2007, 1172, 1-8. (Pubitemid 350015986)
5. Liang, Y.Z.; Xie, P.; Chan, K. Quality control of herbal medicines. J. Chromatogr. B, 2004, 812, 53-70. (Pubitemid 39539208)
6. Li, S.L.; Yan, R.; Tam, Y.K.; Lin, G. Post-harvest alteration of the main chemical ingredients in Ligusticum chuanxiong HORT. (Rhizoma Chuanxiong). Chem. Pharm. Bull., 2007, 55, 140-144. (Pubitemid 46067600)
7. Singhuber, J.; Zhu, M.; Prinz, S.; Kopp, B. Aconitum in traditional Chinese medicine - A valuable drug or an unpredictable risk? J. Ethnopharmacol., 2009, 126, 18-30.
8. Bilia, A.R.; Melillo de Malgalhaes, P.; Bergonzi, M.C.; Vincieri, F.F. Simultaneous analysis of artemisinin and flavonoids of several extracts of Artemisia annua L. obtained from a commercial sample and a selected cultivar. Phytomedicine, 2006, 13, 487-493. (Pubitemid 44183844)
9. Tan, X.J.; Li, Q.; Chen, X.H.; Wang, Z.W.; Shi, Z.Y.; Bi, K.S.; Jia, Y. Simultaneous determination of 13 bioactive compounds in Herba Artemisiae scopariae (Yin Chen) from different harvest seasons by HPLC-DAD. J. Pharm. Biomed. Anal., 2008, 47, 847-853.
10. Ortet, R.; Prado, S.; Mouray, E.; Thomas, O.P. Sesquiterpene lactones from the endemic Cape Verdean Artemisia gorgonum. Phytochemistry, 2008, 69, 2961-2965.
11. Ma, C.; Wang, H.; Lu, X.; Xu, G.; Liu, B. Metabolic fingerprinting investigation of Artemisia annua L. in different stages of development by gas chromatography and gas chromatography- mass spectrometry. J. Chromatogr. A, 2008, 1186, 412-419. (Pubitemid 351375211)
12. Mahady, G.B.; Fong, H.H.S.; Farnsworth, N.R. Botanical Dietary Supplements: Quality, Safety and Efficacy; Swets and Zeitlinger: Lisse, 2001.
13. Toh, D.F.; New, L.S.; Koh, H.L.; Chan, E.C.Y. Ultra-high performance liquid chromatography/time-of-flight mass spectrometry (UHPLC/TOFMS) for time-dependent profiling of raw and steamed Panax notoginseng. J. Pharm. Biomed. Anal., 2010, 52, 43-50.
14. Saurina, J. Characterization of wines using compositional profiles and chemometrics. Trends Anal. Chem., 2010, 29, 234-245.
15. Whitton, P.A.; Lau, A.; Salisbury, A.; Whitehouse, J.; Evans, C.S. Kava lactones and the kava-kava controversy. Phytochemistry, 2003, 64, 673-679. (Pubitemid 37176400)
16. Stefanović, V. Analgesic nephropathy, Balkan endemic nephropathy and Chinese herbs nephropathy: separate tubulointerstitial kidney diseases associated with urothelial malignancy. Facta Univ. Med. Biol., 2002, 9, 1-6.
17. Lachenmeier, D.W.; Kuballa, T. Behaviour of thujone during distillation and possible concentration ranges in pre-ban absinthe. J. Sci. Food Agric., 2007, 87, 2147-2151. (Pubitemid 47227459)
18. Drasar, P.; Moravcova, J. Recent advances in analysis of Chinese medical plants and traditional medicines. J. Chromatogr. B, 2004, 812, 3-21. (Pubitemid 39535399)
19. Zhu, Y.-P.; Woerdenbag, H.J. Traditional Chinese herbal medicine. Pharm. World Sci., 1995, 17, 103-112.
20. Liang, Q.; Qu, J.; Luo, G.; Wang, Y. Rapid and reliable determination of illegal adulterant in herbal medicines and dietary supplements by LC/MS/MS. J. Pharm. Biomed. Anal., 2006, 40, 305-311. (Pubitemid 43143333)
21. Bensky, D.; Clavey, S.; Stöger, E. Chinese Herbal Medicine I: Materia Medica; 3rd ed.; Eastland Press: Seattle, 2004; pp. 158- 159, pp. 179-181.
22. Park, J.; Park, H.-J.; Lee, H.-J.; Ernst, E. What's in a Name? A systematic review of the nomenclature of Chinese medical formulae. Am. J. Chin. Med., 2002, 30, 419-427. (Pubitemid 41758915)
23. Guidelines for the Assessment of Herbal Medicine, WHO/TRM/91.4. World Health Organization: Geneva, 1991; p. 2. http://whqlibdoc.who.int/hq/1991/WHO- TRM-91.4.pdf (Accessed March 09, 2010).
24. Annex 11 - Guidelines for the assessment of herbal medicines. World Health Organ. Tech. Rep. Ser., 1996, 863, 8.
25. The European Pharmacopoeia online, 6th ed. Council of Europe: Strasbourg, 2010. http://online.edqm.eu/entry.htm (Accessed February 01, 2010).
26. The United States Pharmacopeia 28, The National Formulary 23; The United States Pharmacopeial Convention: Rockville, 2005.
27. Pharmacopoeia of the People's Republic of China; Chinese Pharmacopoeia Commission, Peoples Medical Publishing House: China, 2005; Vol. 1.
28. Guideline on specifications: Test procedures and acceptance criteria for herbal substances, herbal preparations and herbal medicinal products / traditional herbal medicinal products. Committee for medicinal products for human use (CHMP), European Medicines Agency Inspections, 30 March 2006, CPMP/QWP/2820/00 Rev 1, EMEA/CVMP/815/00 Rev 1. http://www.emea.europa.eu/pdfs/ human/qwp/282000en.pdf (Accessed February 01, 2010).
29. Xie, P.; Chen, S.; Liang, Y.Z.; Wang, X.; Tian, R.; Upton, R. Chromatographic fingerprint analysis: a rational approach for quality assessment of traditional Chinese herbal medicine. J. Chromatogr. A, 2006, 1112, 171-180.
30. Lai, Y.H.; Ni, Y.N.; Kokot, S. Authentication of Cassia seeds on the basis of two-wavelength HPLC fingerprinting with the use of chemometrics. Chin. Chem. Lett., 2010, 21, 213-216.
31. Lu, G.H.; Chan, K.; Liang, Y.Z.; Leung, K.; Chan, C.L.; Jiang, Z.H.; Zhao, Z.Z. Development of high-performance liquid chromatographic fingerprints for distinguishing Chinese Angelica from related umbelliferae herbs. J. Chromatogr. A, 2005, 1073, 383-392. (Pubitemid 40544514)
32. Zeng, Z.; Chau, F.T.; Chan, H.Y.; Cheung, C.Y.; Lau, T.; Wei, S.; Mok, D.K.W.; Chan, C.O.; Liang, Y. Recent advances in the compound-oriented and pattern-oriented approaches to the quality control of herbal medicines. Chin. Med., 2008, 3, 9-15.
33. Jiang, Y.; David, B.; Tu, P.; Barbin, Y. Recent analytical approaches in quality control of traditional Chinese medicines. Anal. Chim. Acta, 2010, 657, 9-18.
34. Sahoo, N.; Manchikanti, P.; Dey, S. Herbal drugs: Standards and regulation. Fitoterapia, 2010, 81(6), 462-71.
35. Liang, X.M.; Jin, Y.; Wang, Y.P.; Jin, G.W.; Fu, Q.; Xiao, Y.S. Qualitative and quantitative analysis in quality control of traditional Chinese medicines. J. Chromatogr. A, 2009, 1216, 2033-2044.
36. Sutherland, I.A.; Fisher, D. Role of counter-current chromatography in the modernisation of Chinese herbal medicines. J. Chromatogr. A, 2009, 1216, 740-753.
37. Hendriks, M.M.W.B.; Cruz-Juarez, L.; De Bont, D.; Hall, R.D. Preprocessing and exploratory analysis of chromatographic profiles of plant extracts. Anal. Chim. Acta, 2005, 545, 53-64. (Pubitemid 40828454)
38. Stone, R. Lifting the veil on traditional Chinese medicine. Science, 2008, 319, 709-710. (Pubitemid 351225838)
39. Ji, Y.-B.; Xu, Q.-S.; Hu, Y.-Z.; Vander Heyden, Y. Development, optimization and validation of a fingerprint of Ginkgo biloba extracts by high-performance liquid chromatography. J. Chromatogr. A, 2005, 1066, 97-104. (Pubitemid 40283554)
40. Zhao, L.; Huang, C.; Shan, Z.; Xiang, B.; Mei, L. Fingerprint analysis of Psoralea corylifolia L. by HPLC and LC-MS. J. Chromatogr. B, 2005, 821, 67-74. (Pubitemid 40779587)
41. Chen, Y.; Bicker, W.; Wu, J.Y.; Xie, M.Y.; Lindner, W. Ganoderma species discrimination by dual-mode chromatographic fingerprinting: A study on stationary phase effects in hydrophilic interaction chromatography and reduction of sample misclassification rate by additional use of reversed-phase chromatography. J. Chromatogr. A, 2010, 1217, 1255-1265.
42. Fan, X.H.; Cheng, Y.Y.; Ye, Z.L.; Lin, R.C.; Qian, Z.Z. Multiple chromatographic fingerprinting and its application to the quality control of herbal medicines. Anal. Chim. Acta, 2006, 555, 217-224.
43. Gong, F.; Liang, Y.Z.; Xie, P.S.; Chau, F.T. Information theory applied to chromatographic fingerprint of herbal medicine for quality control. J. Chromatogr. A, 2003, 1002, 25-40. (Pubitemid 36694942)
44. Xu, C.J.; Liang, Y.Z.; Chau, F.T.; Vander Heyden, Y. Pretreatments of chromatographic fingerprints for quality control of herbal medicines. J. Chromatogr. A, 2006, 1134, 253-259.
45. Comments on FDA guidance for industry: botanical drug products. Announced in Federal Register Vol. 65, No. 156, p. 49247, August 11, 2000, Docket No. OOD-1392. http://www.fda.gov/ohrms/dockets/dailys/00/Oct00/101700/c000005.pdf (Accessed February 01, 2010).
46. Tyler, V.E. Phytomedicines: Back to the future. J. Nat. Prod., 1999, 62, 1589-1592.
47. van Nederkassel, A.M.; Daszykowski, M.; Massart, D.L.; Vander Heyden, Y. Prediction of total green tea antioxidant capacity from chromatograms by multivariate modeling. J. Chromatogr. A, 2005, 1096, 177-186. (Pubitemid 41653136)
48. Dumarey, M.; van Nederkassel, A.M.; Deconinck, E.; Vander Heyden, Y. Exploration of linear multivariate calibration techniques to predict the total antioxidant capacity of green tea from chromatographic fingerprints. J. Chromatogr. A, 2008, 1192, 81-88.
49. Dumarey, M.; Smets, I.; Vander Heyden, Y. Prediction and interpretation of the antioxidant capacity of green tea from dissimilar chromatographic fingerprints. J. Chromatogr. B, 2009, Submitted.
50. Guideline on quality of herbal medicinal products / traditional herbal medicinal products. Committee for medicinal products for human use (CHMP), European Medicines Agency Inspections, 21 July 2005, CPMP/QWP/2819/00 Rev 1, EMEA/CVMP/814/00 Rev 1. http://www.ema.europa.eu/Inspections/docs/281900en.pdf (Accessed February 01, 2010).
51. Guidance for Industry: Botanical Drug Products. U.S. Department of Health and Human Services, Food and Drug Administration, Center for Drug Evaluation and Research (CDER), June 2004; p. 10. http://www.fda.gov/downloads/Drugs/ GuidanceComplianceRegulatoryInformation/Guidances/ucm070491.pdf (Accessed February 01, 2010).
52. Status Quo of Drug Supervision in China. Information Office of the State Council of the People's Republic of China, State Food and Drug Administration: Beijing, 2008. http://eng.sfda.gov.cn/eng (Accessed March 11, 2010).
53. Casale, M.; Casolino, C.; Oliveri, P.; Forina, M. The potential of coupling information using three analytical techniques for identifying the geographical origin of Liguria extra virgin olive oil. Food Chem., 2010, 118, 163-170.
54. Ji, Y.B.; Alaerts, G.; Xu, C.J.; Hu, Y.Z.; Vander Heyden, Y. Sequential uniform designs for fingerprints development of Ginkgo biloba extracts by capillary electrophoresis. J. Chromatogr. A, 2006, 1128, 273-281. (Pubitemid 44292729)
55. Ji, S.-G.; Chai, Y.F.; Wu, Y.T.; Yin, X.P.; Liang, D.S.; Xu, Z.M.; Li, X. Determination of ferulic acid in Angelica sinensis and Chuanxiong by capillary zone electrophoresis. Biomed. Chromatogr., 1999, 13, 333-334. (Pubitemid 29381286)
56. Yu, K.; Gong, Y.; Lin, Z.; Cheng, Y. Quantitative analysis and chromatographic fingerprinting for the quality evaluation of Scutellaria baicalensis Georgi using capillary electrophoresis. J. Pharm. Biomed. Anal., 2007, 43, 540-548. (Pubitemid 44960586)
57. Sun, Y.; Guo, T.; Sui, Y.; Li, F. Fingerprint analysis of flos Carthami by capillary electrophoresis. J. Chromatogr. B, 2003, 792, 147-152. (Pubitemid 36830865)
58. Zschocke, S.; Liu, J.H.; Stuppner, H.; Bauer, R. Comparative study of roots of Angelica sinensis and related umbelliferous drugs by thin layer chromatography, high-performance liquid chromatography, and liquid chromatography mass spectrometry. Phytochem. Anal., 1998, 9, 283-290. (Pubitemid 28542569)
59. Marchand, E.; Atemnkeng, M.A.; Vanermen, S.; Plaizier-Vercammen, J. Development and validation of a simple thin layer chromatographic method for the analysis of artemisinin in Artemisia annua L. plant extracts. Biomed. Chromatogr., 2008, 22, 454-459. (Pubitemid 351722144)
60. Qian, G.-S.; Wang, Q.; Leung, K.S.Y.; Qin, Y.; Zhao, Z.; Jiang, Z.H. Quality assessment of rhizoma et radix Notopterygii by HPTLC and HPLC fingerprinting and HPLC quantitative analysis. J. Pharm. Biomed. Anal., 2007, 44, 812-817. (Pubitemid 47030776)
61. Vermaak, I.; Hamman, J.H.; Viljoen, A.M. High performance thin layer chromatography as a method to authenticate Hoodia gordonii raw material and products. S. Afr. J. Bot., 2010, 76, 119-124.
62. van Nederkassel, A.M.; Vijverman, V.; Massart, D.L.; Vander Heyden, Y. Development of a Ginkgo biloba fingerprint chromatogram with UV and evaporative light scattering detection and optimization of the evaporative light scattering detector operating conditions. J. Chromatogr. A, 2005, 1085, 230-239. (Pubitemid 40994926)
63. Hu, L.; Chen, X.; Kong, L.; Su, X.; Ye, M.; Zou, H. Improved performance of comprehensive two-dimensional HPLC separation of traditional Chinese medicines by using a silica monolithic column and normalization of peak heights. J. Chromatogr. A, 2005, 1092, 191-198. (Pubitemid 41393927)
64. Yan, R.; Li, S.L.; Chung, H.S.; Tam, Y.K.; Lin, G. Simultaneous quantification of 12 bioactive components of Ligusticum chuanxiong Hort. by high-performance liquid chromatography. J. Pharm. Biomed. Anal., 2005, 37, 87-95. (Pubitemid 40138720)
65. Yi, T.; Leung, K.S.-Y.; Lu, G.-H.; Chan, K.; Zhang, H. Simultaneous qualitative and quantitative analyses of the major constituents in the rhizome of Ligusticum chuanxiong using HPLCDAD- MS. Chem. Pharm. Bull., 2006, 54, 255-259. (Pubitemid 43200612)
66. Chen, X.G.; Kong, L.; Su, X.Y.; Fu, H.J.; Ni, J.Y.; Zhao, R.H.; Zou, H.F. Separation and identification of compounds in Rhizoma chuanxiong by comprehensive two-dimensional liquid chromatography coupled to mass spectrometry. J. Chromatogr. A, 2004, 1040, 169-178. (Pubitemid 38681032)
67. Li, H.X.; Ding, M.Y.; Lv, K.; Yu, J.Y. Determination of the active ingredients in Chuanxiong by HPLC, HPLC-MS and EI-MS. J. Liq. Chromatogr. Relat. Technol., 2001, 24, 2017-2031. (Pubitemid 32709091)
68. Liu, C.Z.; Zhou, H.Y.; Zhao, Y. An effective method for fast determination of artemisinin in Artemisia annua L. by high performance liquid chromatography with evaporative light scattering detection. Anal. Chim. Acta, 2007, 581, 298-302. (Pubitemid 44841958)
69. Xie, Y.; Jiang, Z.H.; Zhou, H.; Cai, X.; Wong, Y.F.; Liu, Z.Q.; Bian, Z.X.; Xu, H.X.; Liu, L. Combinative method using HPLC quantitative and qualitative analyses for quality consistency assessment of a herbal medicinal preparation. J. Pharm. Biomed. Anal., 2007, 43, 204-212. (Pubitemid 44856216)
70. Nikolova, M.; Gevrenova, R.; Ivancheva, S. High performance liquid chromatographic separation of surface flavonoid aglycones in Artemisia annua L. and Artemisia vulgaris L. J. Serb. Chem. Soc., 2004, 69, 571-574. (Pubitemid 43166473)
71. Ye, J.; Zhang, X.; Dai, W.; Yan, S.; Huang, H.; Liang, X.; Li, Y.; Zhang, W. Chemical fingerprinting of Liuwei Dihuang Pill and simultaneous determination of its major bioactive constituents by HPLC coupled with multiple detections of DAD, ELSD and ESIMS. J. Pharm. Biomed. Anal., 2009, 49, 638-645.
72. Li, H.X.; Ding, M.Y.; Yu, J.Y. Separation and identification of the phthalic anhydride derivatives of Liqusticum chuanxiong hort by GC-MS, TLC, HPLC-DAD and HPLC-MS. J. Chromatogr. Sci., 2002, 40, 156-161.
73. Li, Y.; Hu, Z.; He, L. An approach to develop binary chromatographic fingerprints of the total alkaloids from Caulophyllum robustum by high performance liquid chromatography/diode array detector and gas chromatography/mass spectrometry. J. Pharm. Biomed. Anal., 2007, 43, 1667-1672. (Pubitemid 46453083)
74. Wang, X.; Lv, H.; Sun, H.; Jiang, X.; Wu, Z.; Sun, W.; Wang, P.; Liu, L.; Bi, K. Quality evaluation of Yin Chen Hao Tang extract based on fingerprint chromatogram and simultaneous determination of five bioactive constituents. J. Sep. Sci., 2008, 31, 9-15. (Pubitemid 351227883)
75. Lai, J. P.; Lim, Y.H.; Su, J.; Shen, H.M.; Ong, C.N. Identification and characterization of major flavonoids and caffeoylquinic acids in three Compositae plants by LC/DAD-APCI/MS. J. Chromatogr. B, 2007, 848, 215-225. (Pubitemid 46453293)
76. Han, J.; Ye, M.; Qiao, X.; Xu, M.; Wang, B.R.; Guo, D.A. Characterization of phenolic compounds in the Chinese herbal drug Artemisia annua by liquid chromatography coupled to electrospray ionization mass spectrometry. J. Pharm. Biomed. Anal., 2008, 47, 516-525.
77. Li, Y.; Wu, T.; Zhu, J.; Wan, L.; Yu, Q.; Li, X.; Cheng, Z.; Guo, C. Combinative method using HPLC fingerprint and quantitative analyses for quality consistency evaluation of an herbal medicinal preparation produced by different manufacturers. J. Pharm. Biomed. Anal., 2010, 52, 597-602.
78. Chen, L.; Tang, Y.P.; Chen, M.J.; Deng, H.S.; Yan, X.P.; Wu, D.K. Chemical correlation between Gegen Qinlian dispensing granule and its four raw herbs by LC fingerprint. Phytomedicine, 2010, 17, 100-107.
79. Lan, K.; Zhang, Y.; Yang, J.; Xu, L. Simple quality assessment approach for herbal extracts using high performance liquid chromatography-UV based metabolomics platform. J. Chromatogr. A, 2010, 1217, 1414-1418.
80. Wei, H.; Sun, L.; Tai, Z.; Gao, S.; Xu, W.; Chen, W. A simple and sensitive HPLC method for the simultaneous determination of eight bioactive components and fingerprint analysis of Schisandra sphenanthera. Anal. Chim. Acta, 2010, 662, 97-104.
81. Kong, W.J.; Zhao, Y.L.; Xiao, X.H.; Jin, C.; Li, Z.L. Quantitative and chemical fingerprint analysis for quality control of rhizoma Coptidis chinensis based on UPLC-PAD combined with chemometrics methods. Phytomedicine, 2009, 16, 950-959.
82. Li, S.L.; Song, J.Z.; Qiao, C.F.; Zhou, Y.; Xu, H.X. UPLC-PDATOFMS based chemical profiling approach to rapidly evaluate chemical consistency between traditional and dispensing granule decoctions of traditional medicine combinatorial formulae. J. Pharm. Biomed. Anal., 2010, 52, 468-478.
83. Liang, X.; Zhang, L.; Zhang, X.; Dai, W.; Li, H.; Hu, L.; Liu, H.; Su, J.; Zhang, W. Qualitative and quantitative analysis of traditional Chinese medicine Niu Huang Jie Du Pill using ultra performance liquid chromatography coupled with tunable UV detector and rapid resolution liquid chromatography coupled with time-of-flight tandem mass spectrometry. J. Pharm. Biomed. Anal., 2010, 51, 565-571.
84. Li, S.L.; Song, J.Z.; Choi, F.F.K.; Qiao, C.F.; Zhou, Y.; Han, Q.B.; Xu, H.X. Chemical profiling of radix Paeoniae evaluated by ultraperformance liquid chromatography/photo-diode-array/quadrupole time-of-flight mass spectrometry. J. Pharm. Biomed. Anal., 2009, 49, 253-266.
85. Kong, W.J.; Zhao, Y.L.; Xiao, X.H.; Wang, J.B.; Li, H.B.; Li, Z.L.; Jin, C.; Liu, Y. Spectrum-effect relationships between ultra performance liquid chromatography fingerprints and anti-bacterial activities of rhizoma Coptidis. Anal. Chim. Acta, 2009, 634, 279-285.
86. Li, X.R.; Liang, Y.Z.; Guo, F.Q. Analysis of volatile oil in rhizoma Ligustici chuanxiong - radix Paeoniae rubra by gas chromatography-mass spectrometry and chemometric resolution. Acta Pharmacol. Sin., 2006, 27, 491-498.
87. Guo, F.Q.; Liang, Y.Z.; Xu, C.J.; Huang, L.F.; Li, X.N. Comparison of the volatile constituents of Artemisia capillaris from different locations by gas chromatography-mass spectrometry and projection method. J. Chromatogr. A, 2004, 1054, 73-79.
88. Figueroa, M.; Rivero-Cruz, I.; Rivero-Cruz, B.; Bye, R.; Navarrete, A.; Mata, R. Constituents, biological activities and quality control parameters of the crude extract and essential oil from Arracacia tolucensis var. multifida. J. Ethnopharmacol., 2007, 113, 125-131. (Pubitemid 47082500)
89. Ruan, G.H.; Li, G.K. The study on the chromatographic fingerprint of Fructus xanthii by microwave assisted extraction coupled with GC-MS. J. Chromatogr. B, 2007, 850, 241-248.
90. Xie, G.; Zhao, A.; Li, P.; Li, L.; Jia, W. Fingerprint analysis of rhizoma Chuanxiong by pressurized capillary electrochromatography and high-performance liquid chromatography. Biomed. Chromatogr., 2007, 21, 867-875. (Pubitemid 47215147)
91. Xie, G.X.; Qiu, M.F.; Zhao, A.H.; Jia, W. Fingerprint Analysis of flos Carthami by Pressurized CEC and LC. Chromatographia, 2006, 64, 739-743. (Pubitemid 44837093)
92. Wang, H.; Zou, H.; Ni, J.; Kong, L.; Gao, S.; Guo, B. Fractionation and analysis of Artemisia capillaris Thunb. by affinity chromatography with human serum albumin as stationary phase. J. Chromatogr. A, 2000, 870, 501-510. (Pubitemid 30077455)
93. Lucena, R.; Cárdenas, S.; Valcárcel, M. Evaporative light scattering detection: trends in its analytical uses. Anal. Bioanal. Chem., 2007, 388, 1663-1672. (Pubitemid 47173085)
94. Ganzera, M. Recent advancements and applications in the analysis of traditional Chinese medicines. Planta Med., 2009, 75, 776-783.
95. Robards, K. Strategies for the determination of bioactive phenols in plants, fruit and vegetables. J. Chromatogr. A, 2003, 1000, 657-691. (Pubitemid 36638479)
96. Gray, M.J.; Chang, D.; Zhang, Y.; Liu, J.; Bensoussan, A. Development of liquid chromatography/mass spectrometry methods for the quantitative analysis of herbal medicine in biological fluids. Biomed. Chromatogr., 2010, 24, 91-103.
97. Dräger, B. Analysis of tropane and related alkaloids. J. Chromatogr. A, 2002, 978, 1-35. (Pubitemid 35292302)
98. Cao, J.; Qi, M.; Fang, L.; Zhou, S.; Fu, R.; Zhang, P. Solid-phase microextraction-gas chromatographic-mass spectrometric analysis of volatile compounds from Curcuma wenyujin Y.H. Chen et C. Ling. J. Pharm. Biomed. Anal., 2006, 40, 552-558. (Pubitemid 43227378)
99. Xu, C.J.; Liang, Y.Z.; Chau, F.T. Identification of essential components of Houttuynia cordata by gas chromatography/mass spectrometry and the integrated chemometric approach. Talanta, 2005, 68, 108-115.
100. Hänsel, R.; Keller, K.; Rimpler, H.; Schneider, G. Hagers Handbuch der Pharmazeutischen Praxis, Drogen A-D; Springer- Verlag: Berlin, 1992; Vol. 4, pp. 357-369, pp. 372-377.
101. Schmidt, P.C. Homöopathisches Arzneibuch; Elsevier: Tübingen, 2001.
102. Nyiredy, S. Progress in forced-flow planar chromatography. J. Chromatogr. A, 2003, 1000, 985-999. (Pubitemid 36638493)
103. Ito, Y. Golden rules and pitfalls in selecting optimum conditions for high-speed counter-current chromatography. J. Chromatogr. A, 2005, 1065, 145-168. (Pubitemid 40228728)
104. Xie, P.S.; Yan, Y.Z.; Guo, B.L.; Lam, C.W.K.; Chui, S.H.; Yu, Q.X. Chemical pattern -aided classification to simplify the intricacy of morphological taxonomy of Epimedium species using chromatographic fingerprinting. J. Pharm. Biomed. Anal., 2010, 52, 452-460.
105. Rajpal, V. Standardization of botanicals. Testing and extraction methodes of medicinal herbs; Eastern Publishers: New Delhi, 2005; Vol. 2, pp. 50-66.
106. Kim, H.K.; Verpoorte, R. Sample Preparation for Plant Metabolomics. Phytochem. Anal., 2010, 21, 4-13.
107. Wang, J.; Chen, Y.; Lin, M.; Fan, G.; Zhao, W.; Wu, Y.; Yan, C.; Wang, J. Development of a quality evaluation method for Fructus schisandrae by pressurized capillary electrochromatography. J. Sep. Sci., 2007, 30, 381-390. (Pubitemid 46359139)
108. Chen, Y.; Yan, Y.; Xie, M.Y.; Nie, S.P.; Liu, W.; Gong, X.F.; Wang, Y.X. Development of a chromatographic fingerprint for the chloroform extracts of Ganoderma lucidum by HPLC and LC-MS. J. Pharm. Biomed. Anal., 2008, 47, 469-477.
109. Destandau, E.; Lesellier, E. Chromatographic properties of ethanol/water mobile phases on silica based monolithic C18. Chromatographia, 2008, 68, 985-990.
110. Ardrey, R.E. Liquid Chromatography-Mass Spectrometry: An Introduction; John Wiley & Sons: Chichester, 2003.
111. Skoog, D.; West, D.; Holler, F. Fundamentals of Analytical Chemistry; 7th ed.; Saunders College Publishing: Philadelphia, Pennsylvania, 1996.
112. Wong, S.K.; Tsui, S.K.; Kwan, S.Y.; Su, X.L.; Lin, R.C.; Tang, L.M.; Chen, J.X. Establishment of characteristic fingerprint chromatogram for the identification of Chinese herbal medicines. J. Food Drug Anal., 2004, 12, 110-114.
113. Liang, Y.; Xie, P.; Chau, F. Chromatographic fingerprinting and related chemometric techniques for quality control of traditional Chinese medicines. J. Sep. Sci., 2010, 33, 410-421.
114. Gong, F.; Liang, Y.Z.; Xu, Q.S.; Chau, F.T.; Ng, K.M. Evaluation of separation quality in two-dimensional hyphenated chromatography. Anal. Chim. Acta, 2001, 450, 99-114. (Pubitemid 33145429)
115. Dejaegher, B.; Alaerts, G.; Matthijs, N. Methodology to develop liquid chromatographic fingerprints for the quality control of herbal medicines. Acta Chromatogr., 2010, 22, 237-258.
116. Vander Heyden, Y.; Nijhuis, A.; Smeyers-Verbeke, J.; Vandeginste, B.G.M.; Massart, D.L. Guidance for robustness/ruggedness tests in method validation. J. Pharm. Biomed. Anal., 2001, 24, 723-753. (Pubitemid 32209131)
117. Guidance for Industry, Q2B Validation of Analytical Procedures: Methodology, International Conference on Harmonisation (ICH), 1996. http://www.fda.gov/downloads/RegulatoryInformation/Guidances/UCM128049.pdf (Accessed March 31, 2010).
118. Pravdova, V.; Walczak, B.; Massart, D.L. A comparison of two algorithms for warping of analytical signals. Anal. Chim. Acta, 2002, 456, 77-92. (Pubitemid 34280309)
119. Tomasi, G.; van den Berg, F.; Andersson, C. Correlation optimized warping and dynamic time warping as preprocessing methods for chromatographic data. J. Chemometrics, 2004, 18, 231-241.
120. van Nederkassel, A.M.; Daszykowski, M.; Eilers, P.H.C.; Vander Heyden, Y. A comparison of three algorithms for chromatograms alignment. J. Chromatogr. A, 2006, 1118, 199-210. (Pubitemid 43794995)
121. van Nederkassel, A.M.; Xu, C.J.; Lancelin, P.; Sarraf, M.; MacKenzie, D.A.; Walton, N.J.; Bensaid, F.; Lees, M.; Martin, G.J.; Desmurs, J.R.; Massart, D.L.; Smeyers-Verbeke, J.; Vander Heyden, Y. Chemometric treatment of vanillin fingerprint chromatograms: Effect of different signal alignments on principal component analysis plots. J. Chromatogr. A, 2006, 1120, 291-298. (Pubitemid 44172881)
122. Eilers, P.H.C. Parametric time warping. Anal. Chem., 2004, 76, 404-411. (Pubitemid 38090779)
123. Walczak, B.; Wu, W. Fuzzy warping of chromatograms. Chemometrics Intell. Lab. Syst., 2005, 77, 173-180. (Pubitemid 40720103)
124. Massart, D.L.; Vandeginste, B.G.M.; Buydens, L.M.C.; De Jong, S.; Lewi, P.J.; Smeyers-Verbeke, J. Handbook of Chemometrics and Qualimetrics A, Data Handling in science and technology 20A; Elsevier: Amsterdam, 1997.
125. Vandeginste, B.G.M.; Massart, D.L.; Buydens, L.M.C.; De Jong, S.; Lewi, P.J.; Smeyers-Verbeke, J. Handbook of Chemometrics and Qualimetrics B, Data Handling in science and technology 20B; Elsevier: Amsterdam, 1998.
126. Fang, K.T.; Liang, Y.Z.; Yin, X.L.; Chan, K.; Lu, G.H. Critical value determination on similarity of fingerprints. Chemom. Intell. Lab. Syst., 2006, 82, 236-240.
127. Gong, F.; Wang, B.T.; Chau, F.T.; Liang, Y.Z. Data preprocessing for chromatographic fingerprint of herbal medicine with chemometric approaches. Anal. Lett., 2005, 38, 2475-2492. (Pubitemid 41780058)
128. Gan, F.; Ye, R. New approach on similarity analysis of chromatographic fingerprint of herbal medicine. J. Chromatogr. A, 2006, 1104, 100-105. (Pubitemid 43099880)
129. Daszykowski, M.; Walczak, B.; Massart, D.L. Projection methods in chemistry. Chemometrics Intell. Lab. Syst., 2003, 65, 97-112. (Pubitemid 35449781)
130. Massart, D.L.; Vander Heyden, Y. From tables to visuals: Principal component analysis, Part 1. LC-GC Europe, 2004, 17(11), 586-591. (Pubitemid 39531522)
131. Daszykowski, M. From projection pursuit to other unsupervised chemometric techniques. J. Chemometrics, 2007, 21, 270-279.
132. Croux, C.; Ruiz-Gazen, A. Compstat, Proceedings in Computational Statistics, Physica-Verlag: Heidelberg, 1996.
133. Croux, C.; Haesbroeck, G. Principal component analysis based on robust estimators of the covariance or correlation matrix: influence functions and efficiencies. Biometrika, 2000, 87, 603-618.
134. Hubert, M.; Rousseeuw, P.J.; Verboven, S. A fast method for robust principal components with applications to chemometrics. Chemometrics Intell. Lab. Syst., 2002, 60, 101-111. (Pubitemid 34098923)
135. Stanimirova, I.; Walczak, B.; Massart, D.L.; Simeonov, V. A comparison between two robust PCA algorithms. Chemometrics Intell. Lab. Syst., 2004, 71, 83-95. (Pubitemid 38402248)
136. Croux, C.; Ruiz-Gazen, A. High breakdown estimators for principal components: the projection-pursuit approach revisited. J. Multivariate Anal., 2005, 95, 206-226. (Pubitemid 40669260)
137. Hubert, M.; Rousseeuw, P.J.; Vanden Branden, K. ROBPCA: A new approach to robust principal component analysis. Technometrics, 2005, 47, 64-79. (Pubitemid 40213976)
138. Friedman, J.H.; Stuetzle, W. Projection pursuit regression. J. Am. Stat. Assoc., 1981, 76, 817-823.
139. Huber, P.J. Projection pursuit. Ann. Stat., 1985, 13, 435-475.
140. Friedman, J.H. Exploratory projection pursuit. J. Am. Stat. Assoc., 1987, 82, 249-266.
141. Stanimirova, I.; Daszykowski, M.; Van Gyseghem, E.; Bensaid, F.F.; Lees, M.; Smeyers-Verbeke, J.; Massart, D.L.; Vander Heyden, Y. Chemometrical exploration of an isotopic ratio data set of acetylsalicylic acid. Anal. Chim. Acta, 2005, 552, 1-12. (Pubitemid 41456599)
142. Daszykowski, M.; Stanimirova, I.; Walczak, B.; Coomans, D. Explaining a presence of groups in analytical data in terms of original variables. Chemometrics Intell. Lab. Syst., 2005, 78, 19-29. (Pubitemid 40884375)
143. Massart, D.L.; Kaufman, L. The interpretation of analytical chemical data by the use of cluster analysis; John Wiley & Sons: Brisbane, 1983.
144. Vogt, M.; Nagel, D.; Sator, H. Cluster analysis in clinical chemistry: a model; John Wiley & Sons: Essex, 1987.
145. Cuesta Sànchez, F. ; Rutan, S.C. ; Gil García, M.D. ; Massart, D.L. Resolution of multicomponent overlapped peaks by the orthogonal projection approach, evolving factor analysis and window factor analysis. Chemometrics Intell. Lab. Syst., 1997, 36, 153-164. (Pubitemid 27195750)
146. Zeng, Z.D.; Liang, Y.Z.; Wang, Y.L.; Li X.R.; Liang, L.M.; Xu, Q.S.; Zhao, C.X.; Li, B.Y.; Chau, F.T. Alternative moving window factor analysis for comparison analysis between complex chromatographic data. J. Chromatogr. A, 2006, 1107, 273-285.
147. Cuesta Sànchez, F.; Toft, J.; Van den Bogaert, B.; Massart, D.L. Orthogonal projection approach applied to peak purity assessment. Anal. Chem., 1996, 68, 79-85.
148. Martens, H.; Næs, T. Multivariate Calibration; Wiley: Chichester, 1989.
149. Martens, H.; Martens, M. Multivariate Analysis of Quality, An Introduction; Wiley: Chichester, 2001.
150. Eriksson, L.; Johansson, E.; Kettaneh-Wold, N.; Trygg, J.; Wikström, C.; Wold, S. Multi- and Megavariate Data Analysis, Part I, Basic Principles and Applications; Umetrics Academy: Umeå, 2006.
151. Fisher, R.A. The use of multiple measurements in taxonomic problems. Ann. Eugen., 1936, 7, 179-188.
152. Gemperline, P.J.; Webber, L.D.; Cox, F.O. Raw materials testing using soft independent modeling of class analogy analysis of nearinfrared reflectance spectra. Anal. Chem., 1989, 61, 138-144. (Pubitemid 19033251)
153. Wu, W.; Mallet, Y.; Walczak, B.; Penninckx, W.; Massart, D.L.; Heuerding, S.; Erni, F. Comparison of regularized discriminant analysis linear discriminant analysis and quadratic discriminant analysis applied to NIR data. Anal. Chim. Acta, 1996, 329, 257-265. (Pubitemid 26264532)
154. Coomans, D.; Massart, D.L. Alternative k-nearest neighbour rules in supervised pattern recognition : Part 2. Probabilistic classification on the basis of the kNN method modified for direct density estimation. Anal. Chim. Acta, 1982, 138, 153-165.
155. Tominaga, Y. Comparative study of class data analysis with PCALDA, SIMCA, PLS, ANNs, and k-NN. Chemometrics Intell. Lab. Syst., 1999, 49, 105-115. (Pubitemid 29387363)
156. Breiman, L.; Friedman, J.H.; Olshen, R.A.; Stone, C.J. Classification and Regression Trees; Wadsworth: Monterey CA, 1984.
157. De'ath, G.; Fabricius, K.E. Classification and regression trees: a powerful yet simple technique for the analysis of complex ecological data. Ecology, 2000, 81, 3178-3192.
158. Questier, F.; Put, R.; Coomans, D.; Walczak, B.; Vander Heyden, Y. The use of CART and multivariate regression trees for supervised and unsupervised feature selection. Chemometrics Intell. Lab. Syst., 2005, 76, 45-54. (Pubitemid 40342909)
159. Bylesjö, M.; Rantalainen, M.; Cloarec, O.; Nicholson, J.K.; Holmes, E.; Trygg, J. OPLS discriminant analysis: combining the strengths of PLS-DA and SIMCA classification. J. Chemometrics, 2006, 20, 341-351.
160. Zupan, J.; Gasteiger, J. Neural Networks in Chemistry and Drug Design, 2nd ed., Wiley: Weinheim, 1999.
161. Wold, S. Pattern recognition by means of disjoint principal components models. Pattern Recogn., 1976, 8, 127-139.
162. Brereton, R.G. Multivariate patttern recognition in chemometrics, illustrated by case studies; Elsevier: Amsterdam, 1992.
163. Daszykowski, M.; Kaczmarek, K.; Stanimirova, I.; Vander Heyden, Y.; Walczak, B. Robust SIMCA-bounding influence of outliers. Chemometrics Intell. Lab. Syst., 2007, 87, 95-103.
164. Vapnik, V. The Nature of Statistical Learning Theory; Springer: New York, 1995.
165. Burges, C.J. In: A Tutorial on Support Vector Machines for Pattern Recognition; Usama, F. Ed.; Data mining and knowledge discovery, Boston: Kluwer Academic Publishers, 1998, 2, pp. 121-167.
166. Suykens, J.A.K.; Van Gestel, T.; De Brabanter, J.; De Moor, B.; Vandewalle, J. Least Squares Support Vector Machines; World Scientific: Singapore, 2002.
167. Gunn, S.R. Support Vector Machines for Classification and Regression, Technical Report, Univeristy of Southampton, Faculty of Engineering, Science and Mathematics, School of Electronics and Computer Science, 1998, http://citeseerx.ist.psu.edu/viewdoc/download;jsessionid= 49552845CABCE5056AB272A1578D8D09?doi=10.1.1.10.7171&rep=rep1&type=pdf (Accessed March 25th, 2010)
168. Downs, T.; Gates, K.E.; Masters, E. Exact Simplification of Support Vector Solutions. J. Mach. Learn. Res., 2001, 2, 293-297.
169. Walczak, B.; Massart, D.L. Robust principal components regression as a detection tool for outliers. Chemometrics Intell. Lab. Syst., 1995, 27, 41-54.
170. Hubert, M.; Verboven, S. A robust PCR method for highdimensional regressors. J. Chemometrics, 2003, 17, 438-452.
171. Wakeling, I.N.; Macfie, H.J.H. A robust pls procedure. J. Chemometrics, 1992, 6, 189-198.
172. Hubert, M.; Vanden Branden, K. Robust methods for partial least squares regression. J. Chemometrics, 2003, 17, 537-549.
173. Serneels, S.; Croux, C.; Filzmoser, P.; Van Espen, P.J. Partial robust M-regression. Chemometrics Intell. Lab. Syst., 2005, 79, 55-64. (Pubitemid 41219505)
174. Centner, V.; Massart, D.L.; de Noord, O.E.; de Jong, S.; Vandeginste, B.G.M.; Sterna, C. Elimination of uninformative variables for multivariate calibration. Anal. Chem., 1996, 68, 3851-3858.
175. Trygg, J.; Wold, S. Orthogonal projections to latent structures (OPLS). J. Chemometrics, 2002, 16, 119-128.
176. Yi, L.Z.; Yuan, D.L.; Liang, Y.Z.; Xie, P.S.; Zhao, Y. Quality control and discrimination of pericarpium Citri reticulatae and pericarpium Citri reticulatae Viride based on high-performance liquid chromatographic fingerprints and multivariate statistical analysis. Anal. Chim. Acta, 2007, 588, 207-215. (Pubitemid 46440711)
177. Zhao, Y.Y.; Zhang, Y.; Lin, R.C.; Sun, W.J. An expeditious HPLC method to distinguish Aconitum kusnezoffii from related species. Fitoterapia, 2009, 80, 333-338.
178. Chen, Y.; Zhu, S.B.; Xie, M.Y.; Nie, S.P.; Liu, W.; Li, C.; Gong, X.F.; Wang, Y.X. Quality control and original discrimination of Ganoderma lucidum based on high-performance liquid chromatographic fingerprints and combined chemometrics methods. Anal. Chim. Acta, 2008, 623, 146-156.
179. Dumarey, M.; van Nederkassel, A.M.; Stanimirova, I.; Daszykowski, M.; Bensaid, F.; Lees, M.; Martin, G.J.; Desmurs, J.R.; Smeyers-Verbeke, J.; Vander Heyden, Y. Recognizing paracetamol formulations with the same synthesis pathway based on their trace-enriched chromatographic impurity profiles. Anal. Chim. Acta, 2009, 655, 43-51.
180. Zeng, Z.D.; Liang, Y.Z.; Zhang, T.; Chau, F.T.; Wang, Y.L. Orthogonal projection (OP) technique applied to pattern recognition of fingerprints of the herbal medicine Houttuynia cordata Thunb. and its final injection products. Anal. Bioanal. Chem., 2006, 385, 392-400.
181. Zhai, H.L.; Hu, F.D.; Huang, X.Y.; Chen, J.H. The application of digital image recognition to the analysis of two-dimensional fingerprints. Anal. Chim. Acta, 2010, 657, 131-135.
182. Tian, R.T.; Xie, P.S.; Liu, H.P. Evaluation of traditional Chinese herbal medicine: Chaihu (Bupleuri Radix) by both highperformance liquid chromatographic and high-performance thinlayer chromatographic fingerprint and chemometric analysis. J. Chromatogr. A, 2009, 1216, 2150-2155.
183. Tianniam, S.; Bamba, T.; Fukusaki, E. Non-targeted metabolite fingerprinting of oriental folk medicine Angelica acutiloba roots by ultra performance liquid chromatography time-of-flight mass spectrometry. J. Sep. Sci., 2009, 32, 2233-2244.
184. De Maesschalck, R.; Jouan-Rimbaud, D.; Massart, D.L. The Mahalanobis distance. Chemom. Intell. Lab. Syst., 2000, 50, 1-18. (Pubitemid 30019315)
185. MarkerLynx software, Waters, Manchester, UK.
186. Nguyen Hoai, N.; Dejaegher, B.; Tistaert, C.; Nguyen Thi Hong, V.; Rivière, C.; Chataigné, G.; Chau Van, M.; Quetin-Leclercq, J.; Vander Heyden, Y. Development of HPLC fingerprints for Mallotus species extracts and evaluation of the peaks responsible for their antioxidant activity. J. Pharm. Biomed. Anal., 2009, 50, 753-763.
187. Tistaert, C.; Dejaegher, B.; Nguyen Hoai, N.; Chataigné, G.; Rivière, C.; Nguyen Thi Hong, V.; Chau Van, M.; Quetin-Leclercq, J.; Vander Heyden, Y. Potential antioxidant compounds in Mallotus species fingerprints. Part I: indication, using linear multivariate calibration techniques. Anal. Chim. Acta, 2009, 652, 189-197.
188. Daszykowski, M.; Vander Heyden, Y.; Walczak, B. Robust partial least squares model for prediction of green tea antioxidant capacity from chromatograms. J. Chromatogr. A, 2007, 1176, 12-18. (Pubitemid 350184017)
189. Tistaert, C.; Dejaegher, B.; Chataigné, G.; Nguyen Hoai, N.; Rivière, C.; Nguyen Thi Hong, V.; Chau Van, M.; Quetin-Leclercq, J.; Vander Heyden, Y. Potential antioxidant compounds in Mallotus species fingerprints. Part II: Identification with LC-MS. Submitted for publication.