Evolving Factor Analysis of Spectrophotometric Titrations: Forget About the Law of Mass Action?
Evolving Factor Analysis (EFA) is a new and powerful mathematical algorithm for the model-free analysis of any ordered set of multiwavelength data. Applied to spectrophotometric titrations, even strongly overlapping concentration profiles and the spectra of all absorbing species are correctly calcu...
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| Main Authors: | , , , |
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| Format: | Article |
| Language: | deu |
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Swiss Chemical Society
1985-10-01
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| Series: | CHIMIA |
| Online Access: | https://www.chimia.ch/chimia/article/view/9689 |
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| _version_ | 1850140306372034560 |
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| author | Harald Gampp Marcel Maeder Charles J. Meyer Andreas D. Zuberbühler |
| author_facet | Harald Gampp Marcel Maeder Charles J. Meyer Andreas D. Zuberbühler |
| author_sort | Harald Gampp |
| collection | DOAJ |
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Evolving Factor Analysis (EFA) is a new and powerful mathematical algorithm for the model-free analysis of any ordered set of multiwavelength data. Applied to spectrophotometric titrations, even strongly overlapping concentration profiles and the spectra of all absorbing species are correctly calculated without making use of the law of mass action and without even defining the stoichiometric composition of the species in question. The basic idea behind EFA is repetitive application of factor analysis to all subsets of 1, 2, ...N measurements and iterative refinement of the eigenvalues thus obtained into concentration profiles with concomitant least-squares estimation of the species spectra. EFA has been tested successfully with a dozen chemical systems as well as with model data for strongly overlapping concentration profiles.
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| format | Article |
| id | doaj-art-ca2cdfdef3744a88ab2bf33cff487228 |
| institution | OA Journals |
| issn | 0009-4293 2673-2424 |
| language | deu |
| publishDate | 1985-10-01 |
| publisher | Swiss Chemical Society |
| record_format | Article |
| series | CHIMIA |
| spelling | doaj-art-ca2cdfdef3744a88ab2bf33cff4872282025-08-20T02:29:52ZdeuSwiss Chemical SocietyCHIMIA0009-42932673-24241985-10-01391010.2533/chimia.1985.315Evolving Factor Analysis of Spectrophotometric Titrations: Forget About the Law of Mass Action?Harald Gampp0Marcel Maeder1Charles J. Meyer2Andreas D. Zuberbühler3Institut für Anorganische Chemie Universität Basel Spitalstrasse 51, CH-4056 BaselInstitut für Anorganische Chemie Universität Basel Spitalstrasse 51, CH-4056 BaselInstitut für Anorganische Chemie Universität Basel Spitalstrasse 51, CH-4056 BaselInstitut für Anorganische Chemie Universität Basel Spitalstrasse 51, CH-4056 Basel Evolving Factor Analysis (EFA) is a new and powerful mathematical algorithm for the model-free analysis of any ordered set of multiwavelength data. Applied to spectrophotometric titrations, even strongly overlapping concentration profiles and the spectra of all absorbing species are correctly calculated without making use of the law of mass action and without even defining the stoichiometric composition of the species in question. The basic idea behind EFA is repetitive application of factor analysis to all subsets of 1, 2, ...N measurements and iterative refinement of the eigenvalues thus obtained into concentration profiles with concomitant least-squares estimation of the species spectra. EFA has been tested successfully with a dozen chemical systems as well as with model data for strongly overlapping concentration profiles. https://www.chimia.ch/chimia/article/view/9689 |
| spellingShingle | Harald Gampp Marcel Maeder Charles J. Meyer Andreas D. Zuberbühler Evolving Factor Analysis of Spectrophotometric Titrations: Forget About the Law of Mass Action? CHIMIA |
| title | Evolving Factor Analysis of Spectrophotometric Titrations: Forget About the Law of Mass Action? |
| title_full | Evolving Factor Analysis of Spectrophotometric Titrations: Forget About the Law of Mass Action? |
| title_fullStr | Evolving Factor Analysis of Spectrophotometric Titrations: Forget About the Law of Mass Action? |
| title_full_unstemmed | Evolving Factor Analysis of Spectrophotometric Titrations: Forget About the Law of Mass Action? |
| title_short | Evolving Factor Analysis of Spectrophotometric Titrations: Forget About the Law of Mass Action? |
| title_sort | evolving factor analysis of spectrophotometric titrations forget about the law of mass action |
| url | https://www.chimia.ch/chimia/article/view/9689 |
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