Portal de Periódicos da CAPES

Multivariate resolution of rank-deficient spectrophotometric data from first-order kinetic decomposition reactions

1998; Wiley; Volume: 12; Issue: 3 Linguagem: Inglês

10.1002/(sici)1099-128x(199805/06)12

1099-128X

Javier Saurina, Santiago Hernández‐Cassou, Romà Tauler, A. Izquierdo‐Ridorsa,

Pesticide Residue Analysis and Safety

Journal of ChemometricsVolume 12, Issue 3 p. 183-203 Research Article Multivariate resolution of rank-deficient spectrophotometric data from first-order kinetic decomposition reactions J. Saurina, J. Saurina Departament de Química Analítica, Facultat de Química, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona, SpainSearch for more papers by this authorS. Hernández-Cassou, S. Hernández-Cassou Departament de Química Analítica, Facultat de Química, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona, SpainSearch for more papers by this authorR. Tauler, Corresponding Author R. Tauler roma@quimio.qui.ub.es Departament de Química Analítica, Facultat de Química, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona, SpainDepartment de Química Analítica, Facultat de Química, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona, SpainSearch for more papers by this authorA. Izquierdo-Ridorsa, A. Izquierdo-Ridorsa Departament de Química Analítica, Facultat de Química, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona, SpainSearch for more papers by this author J. Saurina, J. Saurina Departament de Química Analítica, Facultat de Química, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona, SpainSearch for more papers by this authorS. Hernández-Cassou, S. Hernández-Cassou Departament de Química Analítica, Facultat de Química, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona, SpainSearch for more papers by this authorR. Tauler, Corresponding Author R. Tauler roma@quimio.qui.ub.es Departament de Química Analítica, Facultat de Química, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona, SpainDepartment de Química Analítica, Facultat de Química, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona, SpainSearch for more papers by this authorA. Izquierdo-Ridorsa, A. Izquierdo-Ridorsa Departament de Química Analítica, Facultat de Química, Universitat de Barcelona, Diagonal 647, E-08028 Barcelona, SpainSearch for more papers by this author First published: 04 May 1999 https://doi.org/10.1002/(SICI)1099-128X(199805/06)12:3 3.0.CO;2-XCitations: 90AboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinkedInRedditWechat Abstract The effect of a rank deficiency upon curve resolution in simple kinetic reaction-based systems is studied. Firstly, simulated rank-deficient spectrophotometric data of a mixture of two reagents, each one yielding its own reaction product by a first-order kinetic reaction, are analysed. Four different situations are considered according to the differences in the spectral responses of the reaction constituents and to the differences in the rate constants between the two kinetic processes. A variation of the rate constant between runs for a certain kinetic process is also taken into account. Secondly, the resolution of a real rank-deficient data system, corresponding to the study of the pH-dependent decomposition of 1,2-naphthoquinone-4-sulphonate, is investigated. All these studies were carried out using a multivariate curve resolution method based on the alternating least squares optimization of the kinetic and spectral profiles of the species present in the system. © 1998 John Wiley & Sons, Ltd. Citing Literature Volume12, Issue3May/June 1998Pages 183-203 RelatedInformation