Sk. Schreyer et Sr. Mikkelsen, Chemometric analysis of square wave voltammograms for classification and quantitation of untreated beverage samples, SENS ACTU-B, 71(1-2), 2000, pp. 147-153
Square wave voltammetry at platinum electrodes of 55 untreated liquid sampl
es, including wines, beers, coffees, milks and fruit juices was performed,
and the resulting voltammograms were analyzed using principal components an
alysis (PCA). Pattern recognition, using plots of the first two principal c
omponents, as well as cluster analysis, was used to determine subpopulation
groupings. Variable selection, using subsets of the complete voltammograms
, allowed finer classification of nonalcoholic beverages based on type and
brand. Principal components regression (PCR) and partial least squares (PLS
) were applied to voltammograms of diluted pure orange juice samples to det
ermine whether adulteration can be detected by these methods. RMS errors in
volume fractions in the calibration set were 2.0% and 1.84, respectively,
for PCR and PLS, and 4.0% (PCR) and 5.4% (PLS) in the validation set. (C) 2
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