A comparison of a common approach to partial least squares-discriminant analysis and classical least squares in hyperspectral imaging

International Journal of Pharmaceutics

Volumn 373, Issue 1-2, 2009, Pages 179-182

  Amigo, José Manuel ^a   Ravn, Carsten ^b,c   Gallagher, Neal B ^d   Bro, Rasmus ^a  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b UNIVERSITY OF COPENHAGEN   (Denmark)

^c NOVO NORDISK A S   (Denmark)

^d EIGENVECTOR RESEARCH INC   (United States)

Author keywords

CLS; Hyperspectral imaging; PLS Class; PLS Classification; PLS DA

Indexed keywords

ARTICLE; CALIBRATION; CLASSIFICATION; COMPARATIVE STUDY; DISCRIMINANT ANALYSIS; IMAGING; MATHEMATICAL ANALYSIS; MATHEMATICAL MODEL; METHODOLOGY; PARTIAL LEAST SQUARES REGRESSION; PRIORITY JOURNAL; QUALITATIVE ANALYSIS; REGRESSION ANALYSIS; SPECTROSCOPY; THEORETICAL MODEL;

ALGORITHMS; DISCRIMINANT ANALYSIS; LEAST-SQUARES ANALYSIS; MODELS, STATISTICAL; SIGNAL PROCESSING, COMPUTER-ASSISTED; SPECTROSCOPY, NEAR-INFRARED; SPECTRUM ANALYSIS;

EID: 67349150802     PISSN: 03785173     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijpharm.2009.02.014     Document Type: Article

References (21)

1. Amigo J.M., Bautista M., Cruz J., Coello J., Maspoch S., and Blanco M. Study of pharmaceutical samples by NIR chemical image and multivariate analysis. Trends Anal. Chem. 27 (2008) 696-713
2. Amigo, J.M., Ravn, C., Direct quantification and distribution assessment of major and minor components in pharmaceutical tablets by NIR-chemical imaging. Eur. J. Pharm. Sci. (2009), doi:10.1016/j.ejps.2009.01.001.
3. Chevallier S., Bertrand D., Kohler A., and Courcoux P. Application of PLS-DA in multivariate image analysis. J. Chemometr. 20 (2006) 221-229
4. Clarke F. Extracting process-related information from pharmaceutical dosage forms using near infrared microscopy. Vib. Spectrosc. 34 (2004) 25-35
5. de Juan A., Tauler R., Dyson R., Marcolli C., Rault M., and Maeder M. Spectroscopic imaging and chemometrics: a powerful combination for global and local sample analysis. Trac-Trends Anal. Chem. 23 (2004) 70-79
6. Draper N., and Smith H. Applied Regression Analysis. 2nd edition. (1981), John Wiley & Sons, Ltd., New York
7. Furukawa T., Sato H., Shinzawa H., Noda I., and Ochiai S. Evaluation of homogeneity of binary blends of poly(3-hydroxybutyrate) and poly(l-lactic acid) studied by near infrared chemical imaging (NIRCI). Anal. Sci. 23 (2007) 871-876
8. Gallagher N.B. Detection, classification and quantification in hyperspectral images using classical least squares models. In: Grahn H., and Geladi P. (Eds). Techniques and Applications of Hyperspectral Image Analysis (2007), John Wiley & Sons, West Sussex, England 181-201
9. Gowen A.A., O'Donnell C.P., Cullen P.J., Downey G., and Frias J.M. Hyperspectral imaging-an emerging process analytical tool for food quality and safety control. Trends Food Sci. Technol. 18 (2007) 590-598
10. Henson M.J., and Zhang L. Drug characterization in low dosage pharmaceutical tablets using Raman microscopic mapping. Appl. Spectrosc. 60 (2006) 1247-1255. http://www.models.kvl.dk/users/jose_manuel_amigo/index.htm
11. Kohler A., Bertrand D., Martens H., Hannesson K., Kirschner C., and Ofstad R. Multivariate image analysis of a set of FTIR microspectroscopy images of aged bovine muscle tissue combining image and design information. Anal. Bioanal. Chem. 389 (2007) 1143-1153
12. Lyon R.C., Lester D.S., Lewis E.N., Lee E., Yu L.X., Jefferson E.H., and Hussain A.S. Near-infrared spectral imaging for quality assurance of pharmaceutical products: analysis of tablets to assess powder blend homogeneity. AAPS Pharm. Sci. Tech. 3 (2002) 1-17
13. Ma H., and Anderson C.A. Characterization of pharmaceutical powder blends by NIR chemical imaging. J. Pharm. Sci. 97 (2008) 369-373
14. Martens H., and Naes T. Multivariate calibration. 1. Concepts and distinctions. Trac-Trends Anal. Chem. 3 (1984) 204-210
15. Martens H., and Naes T. Multivariate Calibration (1989), John Wiley & Sons, Chichester
16. MatLab(R),2006. Version 7.0. The Matworks, Inc., Massachusetts.
17. Naes T., and Martens H. Multivariate calibration. 2. Chemometric methods. Trac-Trends Anal. Chem. 3 (1984) 266-271
18. PLS-Toolbox 2004. Version 3.5. Eigenverctor Research, WA, USA.
19. Ravn C., Bro R., and Skibsted E. Near-infrared chemical imaging (NIR-CI) on pharmaceutical solid dosage forms-comparing common calibration approaches. J. Pharm. Biomed. Anal. 48 (2008) 554-561
20. Weiyong L., Woldu A., and Kelly R. Measurement of drug agglomerates in powder blending simulation samples by near infrared chemical imaging. Int. J. Pharm. 350 (2008) 369-373
21. Westenberger B.J., Ellison C.D., Fussner A.S., Jenney S., Kolinski T.G., Lipe T.G., Lyon R.C., Moore T.W., Revelle L.K., Smith A.P., Spencer J.A., Story K.D., Toler D.Y., Wokovich A.M., and Buhse L.F. Quality assessment of internet pharmaceutical products using traditional and non-traditional analytical techniques. Int. J. Pharm. 306 (2005) 56-70