End-point determination on-line and reaction co-ordinate modelling of homogeneous and heterogeneous reactions in principal component space using periodic near-infrared monitoring

Analyst

Volumn 121, Issue 8, 1996, Pages 1003-1008

  Norris, Timothy ^a   Aldridge, Paul K ^a  

^a PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United States)

Author keywords

End point determination; Hierarchical cluster analysis; Kinetics; Near infrared monitoring; Non destructive testing; On line analysis; Principal component analysis; Reaction co ordinate modelling

Indexed keywords

ORGANIC COMPOUND; ZOPOLRESTAT;

ARTICLE; CALIBRATION; CHEMICAL INDUSTRY; CHEMICAL REACTION; COMPUTER PROGRAM; CONTROLLED STUDY; FIBEROSCOPE; INFRARED SPECTROSCOPY; LABORATORY; MATHEMATICAL MODEL; STEADY STATE;

EID: 0029760041     PISSN: 00032654     EISSN: None     Source Type: Journal    
DOI: 10.1039/an9962101003     Document Type: Article

References (10)

1. Kourti, T., and MacGregor, J. F., Chemom. Intell. Lab. Syst., 1995, 28(1), 3.
2. Espinosa, A., Lambert, D., and Valleur, M., Hydrocarbon Process., Int. Ed., 1995, 74(2), 86, 91.
3. Atkins, P. W., Physical Chemistry, Oxford University Press, Oxford, 1978, p. 255, 853.
4. Mylari, B. L., Larson, E. R., Beyer, T. A., Zembrowski, W. J., Aldinger, C. E., Dee, M. F., Siegel, T. W., and Singleton, D. H., J. Med. Chem., 1991, 34, 108.
5. Savitzky, A., Golay, M. J. E., Anal. Chem., 1964, 36, 1627.
6. Pirouette, Multivariate Data Analysis for IBM PC Systems, version 1.2, Infometrix Inc., Seattle, Washington, USA.
7. Matlab, High Performance Numeric Computation and Visualization Software, version 4.2C.1, The Math Works Inc., Natick, Massachusetts, USA.
8. Wold, H., Estimation of Principal Components and Related Models by Iterative Least Squares in Multivariate Analysis, Proc. International Symposium, June 1965, ed. Krishnaiah, P. R., Academic Press, New York, 1966, p. 391.
9. Geladi, P., Anal. Chim. Acta, 1986, 185, 1.
10. Penrose, R., The Emperor's New Mind, Penguin Books, USA Inc., 1991, New York, p. 176.