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Méthodes de résolution dédiées à l'étude spectroscopique de processus photoinduits. Adaptation aux spécificités des spectres résolus en temps

Abstract : Pertinent analysis of the information embedded in modern instrumental measurements requires the development of efficient mathematical and statistical tools. In spectroscopy, various tools have been proposed in such purpose. The aim of this thesis is to participate to these developments in order to characterize the spectra and concentration profiles of the compounds involved in photoinduced reactions monitored by time-resolved spectroscopy.
A first part of this work is related to the rank analysis of difference data. A systematic rank deficiency has been demonstrated in this case. An approach based on a hybrid algorithm is proposed as a solution to this problem. Indeed the introduction of a kinetic model compensates this rank deficiency.
A second part of the work deals with the characterisation of the noise influence (firstly on measurement and then on multivariate resolution). An analysis of the correlations structure of the noise permit to explain the overfitting phenomenon observed with soft modelling methods. A second algorithm solves this problem through a weighting scheme involving an estimation of the measurement error.
These points are illustrated by two applications: first, a contribution to the analysis of the reaction centre of Rhodobacter sphaeroides by FTIR spectroscopy; then the study of the benzophenone photorelaxation by transient absorption spectroscopy.
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Submitted on : Thursday, January 15, 2009 - 4:56:51 PM
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  • HAL Id : tel-00353553, version 1

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L. Blanchet. Méthodes de résolution dédiées à l'étude spectroscopique de processus photoinduits. Adaptation aux spécificités des spectres résolus en temps. Autre. Université des Sciences et Technologie de Lille - Lille I, 2008. Français. ⟨tel-00353553⟩

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