Data preprocessing for chromatographic fingerprint of herbal medicine with chemometric approaches

Analytical Letters

Volumn 38, Issue 14, 2005, Pages 2475-2492

  Gong, Fan ^a,b   Wang, Bo Tang ^a   Chau, Foo Tim ^b   Liang, Yi Zeng ^a  

^a CENTRAL SOUTH UNIVERSITY   (China)

^b HONG KONG POLYTECHNIC UNIVERSITY   (Hong Kong)

Author keywords

Chemometrics; Chromatographic fingerprint; Data preprocessing; Herbal medicine; Quality assessment

Indexed keywords

RHIZOMA;

EID: 28844434982     PISSN: 00032719     EISSN: 1532236X     Source Type: Journal    
DOI: 10.1080/00032710500318338     Document Type: Article

References (28)

1. Alfassi, Z.B. 2003. On the comparison of different tests for identification of a compound from its mass spectrum. J. Am. Soc. Mass. Spectrom., 14: 262-264.
2. Anderson, C.E., Nieves, R.G., and Kalivas, J.H. 1998. Orthogonality considerations for library searching Nth-order data. Chemom. Intell. Lab. Syst., 41: 115-125.
3. Andersson, F.O., Kaiser, R., and Jacobsson, S.P. 2004. Data preprocessing by wavelets and genetic algorithms for enhanced multivariate analysis of LC peptide mapping. J. Pharm. Biomed. Anal., 34: 531-541.
4. Bauer, R. 1998. Quality criteria and standardization of phytopharmaceuticals: Can acceptable drug standards be achieved? Drug Inform. J., 32: 101-110.
5. Bylund, D., Danielsson, R., Malmquist, G., and Markides, K.E. 2002. Chromatographic alignment by warping and dynamic programming as a pre-processing tool for PARAFAC modelling of liquid chromatography-mass spectrometry data. J. Chromatogr. A., 961: 237-244.
6. Christensen, J.H., Mortensen, J., Hansen, A.B., and Andersen, O. 2005. Chromatographic preprocessing of GC-MS data for analysis of complex chemical mixtures. J. Chromatogr. A., 1062: 113-123.
7. Court, W.A., Reynolds, L.B., and Hendel, J.G. 1996. Influence of root age on the concentration of ginsenosides of American ginseng (Panax quinquefolium). Can. J. Plant Sci., 76: 853-855.
8. Felinger, A. 1998. Data Analysis and Signal Processing in Chromatography; Elsevier: NewYork.
9. Flåten, G.R., Grung, B., and Kvalheim, O.M. 2004. A method for validation of reference sets in SIMCA modeling. Chemom. Intell. Lab. Syst., 72: 101-109.
10. Gong, F., Liang, Y.Z., Fung, Y.S., and Chau, F.T. 2004a. Correction of retention time shift for chromatographic fingerprint of herbal medicine. J. Chromatogr. A., 1029: 173-183.
11. Gong, F., Liang, Y.Z., and Fung, Y.S. 2004b. Analysis of volatile components from Cortex Cinnamomi with hyphenated chromatography and chemometric resolution. J. Pharm. Biomed. Anal., 34: 1029-1047.
12. Gong, F., Liang, Y.Z., Xie, P.S., and Chau, F.T. 2003a. Information theory applied to chromatographic fingerprint of herbal medicine for quality control. J. Chromatogr. A., 1002: 25-40.
13. Gong, F., Liang, Y.Z., and Chau, F.T. 2003b. Combination of GC-MS with local resolution for determining volatile components from si-wu decoction. J. Sep. Sci., 26: 112-122.
14. Gong, F., Liang, Y.Z., Xu, Q.S., and Chau, F.T. 2001a. Gas chromatography-mass spectrometry and chemometric resolution applied to determination of essential oil in Cortex Cinnamomi. J. Chromatogr. A., 905: 193-205.
15. Gong, F., Liang, Y.Z., Cui, H., Chau, F.T., and Chan, B.T.P. 2001b. Determination of volatile components in peptic powder by gas chromatography-mass spectrometry and chemometric resolution. J. Chromatogr. A., 909: 237-247.
16. Gornushkin, I.B., Smith, B.W., Nasajpour, H., and Winefordner, J.D. 1999. Identification of solid materials by correlation analysis using a microscopic laser-induced plasma spectrometer. Anal. Chem., 71: 5157-5164.
17. Hämäläinen, M.D., Liang, Y.Z., Kvalheim, O.M., and Andersson, R. 1993. Deconvolution in one-dimensional chromatography by heuristic evolving latent projections of whole profiles retention time shifted by simplex optimization of cross-correlation between target peaks. Anal. Chim. Acta., 271: 101-114.
18. Johnson, K.J., Wright, B.W., Jarman, K.H., and Synovec, R.E. 2003. High-speed peak matching algorithm for retention time alignment of gas chromatographic data for chemometric analysis. J. Chromatogr. A., 996: 141-155.
19. Jurado-López, A. and Luque de Castro, M.D. 2003. Rank correlation of laser-induced breakdown spectroscopic data for the identification of alloys used in jewelry manufacture. Spectrochim. Acta Part B, 58: 1291-1299.
20. Malmquist, G. and Danielsson, R. 1994. Alignment of chromatographic profiles for principal component analysis: a prerequisite for fingerprinting methods. J. Chromatogr. A., 687: 71-88.
21. Nielsen, N.P.V., Carstensen, J.M., and Smedsgarrd, J. 1998. Aligning of single and multiple wavelength chromatographic profiles for chemometric data analysis using correlation optimised warping. J. Chromatogr. A., 805: 17-35.
22. Parrish, M.E., Good, B.W., Hsu, F.S., Hatch, F.W., Ennis, D.M., Douglas, D.R., Shelton, J.H., and Watson, D.C. 1981. Computer-enhanced high-resolution gas chromatography for the discriminative analysis of tobacco smoke. Anal. Chem., 53: 826-831.
23. Pino, J.A., McMurry, J.E., Jurs, P.C., Lavine, B.K., and Harper, A.M. 1985. Application of pyrolysis/gas chromatography/pattern recognition to the detection of cystic fibrosis heterozygotes. Anal. Chem., 57: 295-302.
24. State Drug Administration of China. 2000. Technical requirements for chromatographic fingerprints of traditional Chinese medicinal injection. Chinese Trad. Pat. Med., 22: 671-678.
25. US Food and Drug Administration. 2000. FDA Guidance for Industry-Botanical Drug Products (Draft Guidance); New York.
26. Varmuza, K., Karlovits, M., and Demuth, W. 2003. Spectral similarity versus structural similarity: infrared spectroscopy. Anal. Chim. Acta., 490: 313-324.
27. WHO. 2000. General Guidelines for Methodologies on Research and Evaluation of Traditional Medicines; Geneva.
28. Yan, X.J., Zhou, J.J., Xie, G.R., and Milne, G.W.A. 1999. Traditional Chinese Medicines: Molecular Structures, Natural Sources and Applications; Aldershot: Ashgate.