M. Delolmo et al., RESOLUTION OF PHENOL, O-CRESOL, M-CRESOL AND P-CRESOL MIXTURES BY EXCITATION FLUORESCENCE USING PARTIAL LEAST-SQUARES (PLS) MULTIVARIATE CALIBRATION, Analytica chimica acta, 335(1-2), 1996, pp. 23-33
Determination of phenol, o-cresol, m-cresol and p-cresol has been carr
ied out in mixtures of up to four components by recording excitation f
luorescence spectra between 210 and 285 nm with an emission wavelength
of 298 nm. The excitation-emission spectra of these compounds are str
ongly overlapped, which does not permit their direct determination wit
hout previous separation by conventional methodologies. Here, a method
is proposed for the determination of these chemicals by the use of a
full-spectrum multivariate calibration method, partial least squares (
PLS). The experimental calibration matrix was designed with 18 samples
. The concentrations were varied between 100 and 900 mu g l(-1) for ph
enol, 150 and 900 mu g l(-1) for o-cresol and from 80 to 800 mu g l(-1
) for m- and p-cresol. The cross-validation method was used to select
the number of factors. To check the accuracy of the proposed method, t
he optimized model, obtained using PLS-1, was applied to the determina
tion of these compounds in natural water and soil samples previously s
piked with different amounts of each chemical.