Unlocking interpretation in near infrared multivariate calibrations by orthogonal partial least squares

Analytical Chemistry

Volumn 81, Issue 1, 2009, Pages 203-209

  Stenlund, Hans ^a   Johansson, Erik ^b   Gottfries, Johan ^a,c   Trygg, Johan ^a  

^a UMEÅ UNIVERSITY   (Sweden)

^b Umetrics AB   (Sweden)

^c ASTRAZENECA R AND D   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ACCURACY AND PRECISIONS; AGRICULTURAL APPLICATIONS; AND MODELING; COMPLEX SAMPLES; FOOD AND DRUG ADMINISTRATIONS; FOOD INDUSTRIES; HISTORY OF USES; IS PROCESSES; MULTIVARIATE ANALYSES; MULTIVARIATE CALIBRATIONS; NEAR INFRARED; NIR ANALYSIS; PARTIAL LEAST SQUARES; PAT APPLICATIONS; PHARMACEUTICAL INDUSTRIES; PHARMACEUTICAL PRODUCTIONS; POWDER MIXING; PROCESS UNDERSTANDINGS; QUANTITATIVE DETERMINATIONS; SCIENTIFIC COMMUNICATIONS; SIMULATED DATUMS; SPECTRAL DATUMS; TABLETTING; USEFUL PROPERTIES; WOOD'S ANOMALIES;

APPLICATIONS; CALIBRATION; CURVE FITTING; DECISION MAKING; DESIGN OF EXPERIMENTS; DRUG PRODUCTS; DRUG PRODUCTS PLANTS; INFRARED SPECTROSCOPY; LEAST SQUARES APPROXIMATIONS; MULTIVARIANT ANALYSIS; SPECTROSCOPIC ANALYSIS;

INFRARED DEVICES;

ADJUVANTS, PHARMACEUTIC; CALIBRATION; CHEMISTRY, PHARMACEUTICAL; COMPUTER SIMULATION; LEAST-SQUARES ANALYSIS; MODELS, CHEMICAL; MULTIVARIATE ANALYSIS; POWDERS; SPECTROSCOPY, NEAR-INFRARED;

EID: 58149471996     PISSN: 00032700     EISSN: None     Source Type: Journal    
DOI: 10.1021/ac801803e     Document Type: Article

References (20)

1. Guidance for Industry, PAT-A Framework for Innovative Pharmaceutical Development, Manufacturing, and Quality Assurance, http://www.fda.gov/cder/ guidance/6419fnl.pdf, November 1, 2006.
2. Hinz, D. C. Anal. Bioanal. Chem. 2006, 384, 1036-1042.
3. Cuatrecasas, P. J. Clin. Invest. 2006, 116, 2837-2842.
4. Lopes, J. A.; Costa, P. F.; Alves, T. P.; Menezes, J. C. Chemom. Intell. Lab. Syst. 2004, 74, 269-275.
5. Gottfries, J.; Depui, H.; Fransson, M.; Jongeneelen, M.; Josefson, M.; Langkilde, F. W.; Witte, D. W. J. Pharm. Biomed. Anal. 1996, 14, 1495-1503.
6. Rodrigues, L. O.; Alves, T. P.; Cardoso, J. P.; Menezes, J. C. IDrugs 2006, 9, 44-48.
7. Jackson, J. E. A User's Guide to Principal Components; Wiley: New York, 1991.
8. Wold, S.; Ruhe, A.; Wold, H.; Dunn, W. J., III. SIAM J. Sci. Stat. Comput. 1984, 5, 735-743.
9. Trygg, J.; Wold, S. J. Chemom. 2002, 16, 119-128.
10. Gottfries, J.; Johansson, E.; Trygg, J. J. Chemom. 2008, DOI: 10.1002/cem.1162.
11. Bylesjö, M.; Rantalainen, M.; Cloarec, O.; Nicholson, J. K.; Holmes, E.; Trygg, J. J. Chemom. 2006, 20, 341-351.
12. Wiklund, S.; Johansson, E.; Sjöström, L.; Mellerowicz, E. J.; Edlund, U.; Shockcor, J. P.; Gottfries, J.; Moritz, T.; Trygg, J. Anal. Chem. 2008, 80, 115-122.
13. Stenlund, H.; Gorzsás, A.; Persson, P.; Sundberg, B.; Trygg, J. Anal. Chem. 2008, 80, 6898-6906.
14. Rantalainen, M.; Cloarec, O.; Ebbels, T. M. D.; Lundstedt, T.; Nicholson, J. K.; Holmes, E.; Trygg, J. BMC Bioinf. 2008, 9, 105.
15. Berntsson, O.; Danielsson, L. G.; Lagerholm, B.; Folestad, S. Powder Technol. 2002, 123, 185-193.
16. Sjöblom, J.; Svensson, O.; Josefson, M.; Kullberg, H.; Wold, S. Chemom. Intell. Lab. Syst. 1998, 44, 229-244.
17. Barnes, R. J.; Dhanoa, M. S.; Lister, S. J. Appl. Spectrosc. 1989, 43, 772-777.
18. Trygg, J.; Wold, S. J. Chemom. 2003, 17, 53-64.
19. Wood, R. W. Philos. Mag. 1902, 4, 396-402.
20. Hagopian, A. K. E. Chem. Phys. Lett. 1971, 12, 327-330.