The chemical rank estimation for excitation-emission matrix fluorescence data by region-based moving window subspace projection technique and Monte Carlo simulation

Chemometrics and Intelligent Laboratory Systems

Volumn 104, Issue 2, 2010, Pages 271-280

  Nie, Jin Fang ^a   Wu, Hai Long ^a   Wang, Jian Yao ^a   Liu, Ya Juan ^a   Yu, Ru Qin ^a  

^a HUNAN UNIVERSITY   (China)

Author keywords

Chemical rank estimation; CORCONDIA; IND; RMWSPT; TMSC

Indexed keywords

ACCURACY; ANALYTIC METHOD; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL RANK ESTIMATION; CONTROLLED STUDY; CORE CONSISTENCY DIAGNOSTIC TEST; DATA ANALYSIS; EXCITATION EMISSION MATRIX FLUORESCENCE DATA; FACTOR INDICATION FUNCTION; FEASIBILITY STUDY; FLUORESCENCE ANALYSIS; INTERMETHOD COMPARISON; LINEAR SYSTEM; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MONTE CARLO METHOD; PRIORITY JOURNAL; REGION BASED ON MOVING WINDOW SUBSPACE PROJECTION TECHNIQUE; SIMULATION; SINGULAR VALUE DECOMPOSITION; TWO MODE SUBSPACE COMPARISON; VALIDATION PROCESS;

EID: 78650519763     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemolab.2010.09.005     Document Type: Article

References (48)

1. Wu H.L., Nie J.F., Yu Y.J., Yu R.Q. Multi-way chemometric methodologies and applications: a central summary of our research work. Anal. Chim. Acta 2009, 650:131-142.
2. Hierlemann A., Gutierrez-Osuna R. Higher-order chemical sensing. Chem. Rev. 2008, 108:563-613.
3. Escandar G.M., Faber N.M., Goicoechea H.C., Muñoz de la Peña A., Olivieri A.C., Poppi R.J. Second- and third-order multivariate calibration: data, algorithms and applications. Trends Anal. Chem. 2007, 26:752-765.
4. Christensen J.H., Hansen A.B., Mortensen J., Andersen O. Characterization and matching of oil samples using fluorescence spectroscopy and parallel factor analysis. Anal. Chem. 2005, 77:2210-2217.
5. Naborniak M.L., Cooper G.A., Kim Y.C., Booksh K.S. Three- and four-way parallel factor (PARAFAC) analysis of photochemically induced excitation-emission kinetic fluorescence spectra. Analyst 2005, 130:85-93.
6. Damiani P.C., Durán-Merás I., García-Reiriz A., Jimé Test A. Label-free impedimetric detection of glycan-lectin interactions. Anal. Chem. 2007, 79:6949-6964.
7. Sanchez E., Kowalski B.R. Tensorial calibration: II. Second-order calibration. J. Chemom. 1988, 2:265-280.
8. Gui M., Rutan S.C., Agbodjan A. Kinetic detection of overlapped amino acids in thin-layer chromatography with a direct trilinear decomposition method. Anal. Chem. 1995, 67:3293-3299.
9. Booksh K.S., Lin Z., Wang Z., Kowalski B.R. Extension of trilinear decomposition method with an application to the flow probe sensor. Anal. Chem. 1994, 66:2561-2569.
10. Sanchez E., Kowalski B.R. Tensorial resolution: a direct trilinear decomposition. J. Chemom. 1990, 4:29-45.
11. Harshman R.A. Foundations of the PARAFAC procedure: models and conditions for an "explanatory" multi-model factor analysis, University of California at Los Angeles. UCLA Working Papers in Phonetics 1970, 16:1-84.
12. Smilde A., Bro R., Geladi P. Multi-way Analysis with Applications in the Chemical Sciences 2004, John Wiley & Sons, Ltd.
13. Carroll J.D., Chang J.J. Analysis of individual differences in multidimensional scaling via an n-way generalization of Eckart-Young decomposition. Psychometrika 1970, 35:283-319.
14. Sanchez E., Kowalski B.R. Generalized rank annihilation factor analysis. Anal. Chem. 1986, 58:496-499.
15. Li S., Hamilton C., Gemperline P. Generalized rank annihilation method using similarity transformations. Anal. Chem. 1992, 64:599-607.
16. Wilson B., Sanchez E., Kowalski B.R. An improved algorithm for the generalized rank annihilation method. J. Chemom. 1989, 3:493-498.
17. De Juan A., Casassas E., Tauler R. Encyclopedia of Analytical Chemistry 2002, 11:9800-9837. Wiley, Chichester, West Sussex, U.K. R.A. Myers (Ed.).
18. Linder M., Sundberg R. Second-order calibration: bilinear least squares regression and a simple alternative. Chemom. Intell. Lab. Syst. 1998, 42:159-178.
19. Linder M., Sundberg R. Precision of prediction in second-order calibration, with focus on bilinear regression methods. J. Chemom. 2002, 16:12-27.
20. Wu H.L., Shibukawa M., Oguma K. An alternating trilinear decomposition algorithm with application to calibration of HPLC-DAD for simultaneous determination of overlapped chlorinated aromatic hydrocarbons. J. Chemom. 1998, 12:1-26.
21. Chen Z.P., Wu H.L., Jiang J.H., Li Y., Yu R.Q. A novel trilinear decomposition algorithm for second-order linear calibration. Chemom. Intell. Lab. Syst. 2000, 52:75-86.
22. Xia A.L., Wu H.L., Fang D.M., Ding Y.J., Hu L.Q., Yu R.Q. Alternating penalty trilinear decomposition algorithm for second-order calibration with application to interference-free analysis of excitation-emission matrix fluorescence data. J. Chemom. 2005, 19:65-76.
23. Xia A.L., Wu H.L., Zhu S.H., Han Q.J., Zhang Y., Yu R.Q. Determination of psoralen in human plasma using excitation-emission matrix fluorescence coupled to second-order calibration. Anal. Sci. 2008, 24:1171-1176.
24. Hu L.Q., Wu H.L., Ding Y.J., Fang D.M., Xia A.L., Yu R.Q. Alternating asymmetric trilinear decomposition for three-way data arrays analysis. Chemom. Intell. Lab. Syst. 2006, 82:145-153.
25. Xia A.L., Wu H.L., Fang D.M., Ding Y.J., Hu L.Q., Yu R.Q. Determination of daunomycin in human plasma and urine by using an interference-free analysis of excitation-emission matrix fluorescence data with second-order calibration. Anal. Sci. 2006, 22:1189-1195.
26. Meloun M., Capek J., Miksik P., Brereton G. Critical comparison of methods predicting the number of components in spectroscopic data. Anal. Chim. Acta 2000, 423:51-68.
27. Wasim M., Brereton R.G. Determination of the number of significant components in liquid chromatography nuclear magnetic resonance spectroscopy. Chemom. Intell. Lab. Syst. 2004, 72:133-151.
28. Malinowski E.R. Factor Analysis in Chemistry 2002, 73-130. Wiley, New York. 3rd ed.
29. Sanchez E., Kowalski B.R. Tensorial resolution: a direct trilinear decomposition. J. Chemom. 1990, 4:29-45.
30. Malinowski E.R. Determination of the number of factors and the experimental error in a data matrix. Anal. Chem. 1977, 49:612-617.
31. Shrager R.I., Hendler R.W. Titration of individual components in a mixture with resolution of difference spectra, pKs, and redox transitions. Anal. Chem. 1982, 54:1147-1152.
32. Rossi T.M., Warner I.M. Rank estimation of emission excitation matrixes using frequency analysis of eigenvectors. Anal. Chem. 1986, 58:810-815.
33. Wang J.H., Jiang J.H., Xiong J.F., Li Y., Liang Y.Z., Yu R.Q. Chemical rank estimation for excitation-emission matrices using a morphological approach. J. Chemom. 1998, 12:95-104.
34. Kruskal J.B. Rank, Decomposition, and Uniqueness for 3-Way and N-Way Arrays. Multiway Data Analysis 1989, 8-18. Elsevier, Amsterdam. R. Coppi, S. Bolasco (Eds.).
35. Bro R., Kiers H.A.L. A new efficient method for determining the number of components in PARAFAC models. J. Chemom. 2003, 17:274-286.
36. Chen Z.P., Liu Z., Cao Y.Z., Yu R.Q. Efficient way to estimate the optimum number of factors for trilinear decomposition. Anal. Chim. Acta 2001, 444:295-307.
37. Harshman R.A., Lundy M.E. Data Preprocessing and the Extended PARAFAC Model. Research Methods for Multimode Data Analysis 1984, 216-284. Praeger, New York. H.G. Law, C.W.J. Snyder, J. Hattie, R.P. McDonald (Eds.).
38. Mitchell B.C., Burdick D.S. Slowly converging parafac sequences: swamps and two-factor degeneracies. J. Chemom. 1994, 8:155-168.
39. Rayens W.S., Mitchell B.C. Two-factor degeneracies and a stabilization of PARAFAC. Chemom. Intell. Lab. Syst. 1997, 38:173-181.
40. Louwerse D.J., Smilde A.K., Kiers H.A.L. Cross-validation of multiway component models. J. Chemom. 1999, 13:491-510.
41. Xie H.P., Jiang J.H., Long N., Shen G.L., Wu H.L., Yu R.Q. Estimation of chemical rank of a three-way array using a two-mode subspace comparison approach. Chemom. Intell. Lab. Syst. 2003, 66:101-115.
42. Xie H.P., Jiang J.H., Shen G.L., Yu R.Q. Estimation of the chemical rank for the three-way data: a principal norm vector orthogonal projection approach. Comput. Chem. 2002, 26:183-190.
43. Chen Z.P., Liang Y.Z., Jiang J.H., Li Y., Qian J.Y., Yu R.Q. Determination of the number of components in mixtures using a new approach incorporating chemical information. J. Chemom. 1999, 13:15-30.
44. Hu L.Q., Wu H.L., Jiang J.H., Ding Y.J., Xia A.L., Yu R.Q. Use of pseudo-sample extraction and the projection technique to estimate the chemical rank of three-way data arrays. Anal. Bioanal. Chem. 2006, 384:1493-1500.
45. Hu L.Q., Wu H.L., Jiang J.H., Han Q.J., Xia A.L., Yu R.Q. Estimating the chemical rank of three-way data arrays by a simple linear transform incorporating Monte Carlo simulation. Talanta 2007, 71:373-380.
46. Xia A.L., Wu H.L., Zhang Y., Zhu S.H., Han Q.J., Yu R.Q. A novel efficient way to estimate the chemical rank of high-way data arrays. Anal. Chim. Acta 2007, 598:1-11.
47. Lee Y.C., Huang C.Y., Wen K.C. Determination of liquiritin, glycyrrhizin, hesperidin, cinnamic acid, cinnamaldehyde, honokiol and magnolol in the traditional Chinese medicinal preparation Wuu-Ji-San by high-performance liquid chromatography. J. Chromatogr. A 1995, 692:137-145.
48. Jiang J.D., Wu H.L., Xia A.L., Zhu S.H., Liu D.S., Zhang H.F., Yu R.Q. Determination of honokiol and magnolol in both human plasma and complex magnoliae officinalis by second-order calibration coupled to three-dimensional excitation-emission fluorescence spectra. Chem. J. Chin. Univ. 2008, 29:71-76.