Determination of the number of light-absorbing species in the protonation equilibra of selected drugs

Analytica Chimica Acta

Volumn 489, Issue 2, 2003, Pages 137-151

  Meloun, Milan ^a   Syrový, Tomáš ^a   Vrána, Aleš ^b  

^a UNIVERSITY OF PARDUBICE   (Czech Republic)

^b TEVA PHARMACEUTICALS   (Israel)

Author keywords

Decomposition of absorbance matrix; Determining the number of components; Factor analysis; Instrumental error of spectrophotometer; Number of species; Principal component analysis; Rank of matrix

Indexed keywords

ALGORITHMS; COMPUTATIONAL METHODS; LIGHT ABSORPTION; MIXTURES; PRINCIPAL COMPONENT ANALYSIS; RELIABILITY; SPECTROSCOPIC ANALYSIS;

LIGHT-ABSORBING SPECIES; PROTONATION EQUILIBRA;

DRUG PRODUCTS;

AMBROXOL; DRUG; MYCOPHENOLIC ACID; SILIBININ; SILIDIANIN;

ACCURACY; ALGORITHM; ANALYTICAL ERROR; ARTICLE; CLASSIFICATION; DATA ANALYSIS; DISSOCIATION CONSTANT; EXPERIMENT; EXPERIMENTAL TEST; INSTRUMENTATION; LIGHT ABSORPTION; PARAMETER; PH; PREDICTION; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; PROTON TRANSPORT; QUALITATIVE ANALYSIS; QUANTITATIVE ANALYSIS; REGRESSION ANALYSIS; RELIABILITY; SPECTROPHOTOMETRY; SPECTROSCOPY; SPECTRUM; TEMPERATURE;

EID: 10644282992     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0003-2670(03)00761-X     Document Type: Article

References (23)

1. E.R. Malinowski, Factor Analysis in Chemistry, second ed., Wiley, New York 1991.
2. E.R. Malinowski, Abstract factor analysis of data with multiple sources of error and a modified Faber-Kowalski f-test, J. Chemom. 13 (1999) 69.
3. E.R. Malinowski, Determination of the number of factors and the experimental error in a data matrix, Anal. Chem. 49 (1977) 612.
4. J.M. Deane, H.J.H. MacFie, J. Chemom. 3 (1989) 477.
5. Z.-P. Chen, Y.-Z. Liang, J.-H. Jiang, Y. Li, J.-Y. Qian, R.-Q. Yu, Determination of the number of components in mixtures using a new approach incorporating chemical information, J. Chemom. 13 (1999) 15.
6. Z.-P. Chen, J.-H. Jiang, Y. Li, H.-L. Shen, Y.-Z. Liag, R.-Q. Yu, Smoothed window factor analysis, Anal. Chim. Acta 381 (1999) 233.
7. A.K. Elbergali, J. Nygren, M. Kubista, An automated procedure to predict the number of components in spectroscopic data, Anal. Chim. Acta 379 (1999) 143.
8. J.M. Dean, Data reduction using principal components analysis, in: R.G. Brereton (Ed.), Multivariate Pattern Recognition in Chemometrics Illustrated by Case Studies, Elsevier, Amsterdam, 1992.
9. A.K. Elbergali, R.G. Brereton, Chemom. Intell. Lab. Syst. 27 (1995) 55.
10. Y.-Z. Liang, O. Kvalheim, A.M. Rahmani, R.G. Brereton, J. Chemom. 7 (1993) 15.
11. J.J. Kankare, Computation of equilibrium constants for multicomponent systems from spectrophotometric data, Anal. Chem. 42 (1970) 1322.
12. M.S. Bartlett, Brit. J. Psychiatr. Stat. Sec. 3 (1950) 77.
13. Z.Z. Hugus Jr., A.A. El-Awady, The determination of the number of species present in a system: a new matrix rank treatment of spectrometric data, J. Phys. Chem. 75 (1971) 2954.
14. T.M. Rossi, I.M. Warner, Rank estimation of excitation-emission matrices using frequency analysis of eigenvectors, Anal. Chem. 58 (1986) 810.
15. M. Meloun, J. Čapek, P. Mikšík, R.G. Brereton, Critical comparison of methods predicting the number of components in spectroscopic data, Anal. Chim. Acta 423 (2000) 51-68.
16. R.D. Catell, Multivariate Beahavioral Res. 1 (1966) 245.
17. D.J. Leggett (Ed.), Computational Methods for the Determination of Formation Constants, Plenum Press, New York, 1985, pp. 99-157, 291-353.
18. D.J. Leggett, W.A.E. McBryde, General Computer Program for the Computation of Stability Constants from Absorbance Data, Anal. Chem. 47 (1975) 1065.
19. M. Meloun, M. Javůrek, J. Havel, Multiparametric curve fitting. X. A structural classification of program for analysing multicomponent spectra and their use in equilibrium-model determination, Talanta 33 (1986) 513-524.
20. M. Meloun, J. Havel, E. Högfeldt, Computation of Solution Equilibria, Ellis Horwood, Chichester, 1988, p. 226.
21. M. Meloun, J. Militký, M. Forina, Chemometrics for analytical chemistry, PC-Aided Regression and Related Methods, vol. 2, Ellis Horwood, Chichester, 1994; PC-Aided Statistical Data Analysis, vol. 1, Ellis Horwood, Chichester, 1992.
22. M. Meloun, J. Militký, M. Forina, Chemometrics for analytical chemistry, PC-Aided Regression and Related Methods, vol. 2, Ellis Horwood, Chichester, 1994; PC-Aided Statistical Data Analysis, vol. 1, Ellis Horwood, Chichester, 1992.
23. M. Meloun, T. Syrový, A. Vrána, The thermodynamic dissociation constants of ambroxol, antazoline, naphazoline, oxymetazoline and ranitidine by the regression analysis of spectrophotometric data, Talanta, in press.