[Zurück]

B. Muik, B. Lendl, A Molina-Diaz, M. Valcárcel, M.J. Ayora-Cañada:
"Two-dimensional correlation spectroscopy and multivariate curve resolution for the study of lipid oxidation in edible oils monitored by FTIR and FT-Raman spectroscopy";
Analytica Chimica Acta, 593 (2007), S. 54 - 67.

Accelerate oxidative degrdn. of six vegetable oils was monitored using FTIR and FT-Raman spectroscopy. Two-dimensional correlation spectroscopy and multivariate curve resoln. alternating least squares (MCR-ALS) were applied to the anal. of the data. The use of hetero-spectral two-dimensional correlation of FTIR and FT-Raman data allowed the use of well established band assignments to interpret less clearly assigned spectral features. With a moving window approach it was possible to obtain simplified two-dimensional correlation maps and to detect compds. evolving with different kinetic. Simultaneous anal. of the oxidn. expts. of the six different oils monitored by both spectroscopic techniques was performed using MCR-ALS. Although a complete resoln. of the data was not possible, the spectral changes occurring during the oxidative degrdn. of the oils were described with a five-component model. The two fundamentally different chemometric approaches lead to coincident results.