Title :

New strategy to identify radicals in a time evolving EPR data set by multivariate curve resolution-alternating least squares

Author(s) :

Fadel, Maya Abou [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 [LASIRE]
de Juan, Anna [Auteur]
Universitat de Barcelona [UB]
Vezin, Herve [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516
Duponchel, Ludovic [Auteur]
Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement - UMR 8516 [LASIRE]

Journal title :

Analytica Chimica Acta

Volume number :

947

Pages :

9-15

Publisher :

Elsevier BV

Publication date :

2016-12

ISSN :

0003-2670

English keyword(s) :

Multivariate curve resolution-alternating least squares
Electron paramagnetic resonance spectroscopy
Radicals
Multiset analysis
Chemometrics

HAL domain(s) :

Chimie/Chimie théorique et/ou physique

English abstract : [en]

Electron paramagnetic resonance (EPR) spectroscopy is a powerful technique that is able to characterize radicals formed in kinetic reactions. However, spectral characterization of individual chemical species is often limited ...
Show more >Electron paramagnetic resonance (EPR) spectroscopy is a powerful technique that is able to characterize radicals formed in kinetic reactions. However, spectral characterization of individual chemical species is often limited or even unmanageable due to the severe kinetic and spectral overlap among species in kinetic processes. Therefore, we applied, for the first time, multivariate curve resolution-alternating least squares (MCR-ALS) method to EPR time evolving data sets to model and characterize the different constituents in a kinetic reaction. Here we demonstrate the advantage of multivariate analysis in the investigation of radicals formed along the kinetic process of hydroxycoumarin in alkaline medium. Multiset analysis of several EPR-monitored kinetic experiments performed in different conditions revealed the individual paramagnetic centres as well as their kinetic profiles. The results obtained by MCR-ALS method demonstrate its prominent potential in analysis of EPR time evolved spectra.Show less >

Language :

Anglais

Peer reviewed article :

Oui

Audience :

Internationale

Popular science :

Non

Administrative institution(s) :

Université de Lille
CNRS

Collections :

• Laboratoire Avancé de Spectroscopie pour les Intéractions la Réactivité et l'Environnement (LASIRE) - UMR 8516

Research team(s) :

Propriétés magnéto structurales des matériaux (PMSM)

Submission date :

2021-06-17T13:46:44Z
2021-09-09T14:45:47Z
2021-09-10T10:43:51Z