J Diewok, M.J. Ayora-Cañada, B. Lendl:
"2D Correlation Spectroscopy and Multivariate Curve Resolution in Analyzing pH-dependent Evolving Systems Monitored by FTIR Spectroscopy, A Comparative Study";
Analytical Chemistry, 74 (2002), 19; S. 4944 - 4954.

Kurzfassung englisch:
Multivariate curve resoln. (MCR) and 2-dimensional correlation spectroscopy (2-dimensional-CoS), including sample-sample correlation, were applied to the anal. of evolving midinfrared spectroscopic data sets obtained from titrns. of org. acids in aq. soln. In these data sets, well-defined species with significant differences in their spectra are responsible for the spectral variation obsd. The two fundamentally different chemometric techniques were evaluated and discussed from exptl. and supportive simulated data sets. MCR gives information that can be directly related to the chem. species that is of importance from a practical point of view, whereas 2-dimensional-CoS results normally require more interpretation. The obtained conclusions are regarded valid for similar evolving data, which are increasingly being encountered in anal. chem. when multivariate detectors were used to follow dynamic processes, including sepns. as well as chem. reactions, among others.

Erstellt aus der Publikationsdatenbank der Technischen Universitšt Wien.