Use of local rank-based spatial information for resolution of spectroscopic images

Journal of Chemometrics

Volumn 22, Issue 5, 2008, Pages 291-298

  De Juan, Anna ^a   Maeder, Marcel ^b   Hancewicz, Thomas ^c   Tauler, Romà ^d  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITY OF NEWCASTLE   (Australia)

^c UNILEVER RESEARCH   (United Kingdom)

^d DEPARTMENT OF ENVIRONMENTAL CHEMISTRY   (Spain)

Author keywords

Constraints; Curve resolution; Image analysis; Local rank; MCR

Indexed keywords

IMAGE ANALYSIS; PIXELS;

CHEMICAL INFORMATION; CHEMICAL MEASUREMENTS; CONSTRAINT; CURVE RESOLUTION; IMAGE-ANALYSIS; LOCAL RANK; MCR; SPATIAL INFORMATIONS; SPECTRA'S; SPECTROSCOPIC IMAGES;

IMAGE RESOLUTION;

EID: 53649104512     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.1099     Document Type: Article

References (28)

1. Hornak JP. Encyclopedia of Imaging Science and Technology. Wiley: New York, 2002.
2. Geladi P, Grahn H. Multivariate Image Analysis. John Wiley & Sons Ltd.: Canada, 1997.
3. de Juan A, Casassas E, Tauler R. Soft modeling of analytical data. In Encyclopedia of Analytical Chemistry: Instrumentation and Applications. John Wiley & Sons: Chichester, UK, 2000; 9800.
4. de Juan A, Tauler R. Chemometrics applied to unravel multicomponent processes and mixtures. Revisiting latest trends in multivariate resolution. Anal. Chim. Acta 2003; 500: 195-1210.
5. Windig W, Guilment J. Interactive self-modeling mixture analysis. Anal. Chem. 1991; 63: 1425-1432.
6. Dupuy N, Batonneau Y. Reliability of the contribution profiles obtained through the SIMPLISMA approach and used as reference in a calibration process - application to Raman micro-analysis of dust particles. Anal. Chim. Acta 2003; 495: 205-215.
7. Duponchel L, Elmi-Rayaleh W, Ruckebusch C, Huvenne JP. Multivariate curve resolution methods in imaging spectroscopy: influence of extraction methods and instrumental perturbations. J. Chem. Inf. Comput. Sci. 2003; 43: 2057-2067.
8. Berman M, Miiveri H, Lagerstrom R, Ernst A, Dunne R, Huntington JF. ICE: a statistical approach to identifying endmembers in hyperspectral images. IEEE Trans. Geosci. Remote Sensing 2004; 42: 2085-2095.
9. de Juan A, Tauler R, Dyson R, Marcolli C, Rault M, Maeder M. Spectroscopic imaging and chemometrics: a powerful combination for global and local sample analysis. TrAC-Trends Anal. Chem. 2004; 23: 70-79.
10. Wang JH, Hopke PK, Hancewicz TM, Zhang SLL Application of modified alternating least squares regression to spectroscopic image analysis. Anal. Chim. Acta 2003; 476: 93-109.
11. Wentzell PD, Karakach TK, Roy S, Martínez MJ, Allen CP, Werner-Washburne M. Multivariate curve resolution of time course microarray data. BMC Bioinformatics 2006; art.343.
12. Sobanska S, Falgayrac G, Laureyns J, Bremard C. Chemistry at level of individual aerosol particle using multivariate curve resolution of confocal Raman image. Spectrochim Acta A Mol Biomol Spectrosc 2006; 64: 1102.
13. Zhang L, Henson MJ, Sekulic SS. Multivariate data analysis for Raman imaging of a model pharmaceutical tablet. Anal. Chim. Acta 2005; 545: 262-278.
14. Budevska BO, Sum ST, Jones TJ. Application of multivariate curve resolution for analysis of FT-IR microspectroscopic images of in situ plant tissue. Appl. Spectrosc. 2003; 57: 124-131.
15. Hancewicz TM, Wang J-H, Pudney PDA, Zhang SL. Multivariate image resolution for spectroscopic image analysis. 228th ACS National Meeting, Philadelphia, PA, August 22 2004; Paper 15.
16. Hancewicz TM, Wang JH. Discriminant image resolution: a novel multivariate image analysis method utilizing a spatial classification constraint in addition to bilinear non-negativity. Chemom. Intell. Lab. Syst. 2005; 77:18-31.
17. Tauler R, Smilde AK, Kowalski BR. Selectivity, local rank, 3-way data-analysis and ambiguity in multivariate curve resolution. J. Chemom. 1995; 9: 31-58.
18. Geladi P, Wold S. Local Principal Component Models, rank maps and contextuality for curve resolution and multi-way calibration inference. Chemom. Intell. Lab. Syst. 1987; 2: 273-281.
19. de Juan A, Maeder M, Hancewicz T, Tauler R. Local rank analysis for exploratory spectroscopic image analysis. Fixed Size Image Window-Evolving Factor Analysis. Chemom. Intell. Lab. Syst. 2005; 77: 64-74.
20. Andrew JJ, Browne MA, Clark IE, Hancewicz TM, Millichope AJ. Raman imaging of emulsion systems. Appl. Spectrosc. 1998; 52: 790-796.
21. Andrew JJ, Hancewicz TM. Rapid analysis of Raman image data using two-way multivariate curve resolution. Appl. Spectrosc. 1998; 52: 797-807.
22. Keller HR, Massart DL. Peak purity control in liquid chromatography with photodiode array detection by fixed size moving window evolving factor analysis. Anal. Chim. Acta 1991; 246: 379-390.
23. Tauler R. Multivariate curve resolution applied to second order data. Chemom. Intell. Lab. Syst. 1995; 30: 133-146.
24. Jaumot J, Gargallo R, de Juan A, Tauler R. A graphical user-friendly interface for MCR-ALS: a new tool for multivariate curve resolution in MATLA8. Chemom. Intell. Lab. Syst. 2005; 76: 101-110.
25. de Juan A, Tauler R. MCR from 2000: progress in concepts and applications. Crit. Rev. Anal. Chem. 2006; 36: 163-176.
26. Manne R. On the resolution problem in hyphenated chromatography. Chemom. Intell. Lab. Syst. 1995; 27: 89-94.
27. Maeder M. Evolving Factor Analysis for the resolution of overlapping chromatographic peaks. Anal. Chem. 1987; 59: 527-530.
28. Tauler R. Calculation of maximum and minimum band boundaries of feasible solutions for species profiles obtained by multivariate curve resolution. J. Chemom. 2001; 15: 627-646.