Jo. Grimalt et J. Olive, SOURCE INPUT ELUCIDATION IN AQUATIC SYSTEMS BY FACTOR AND PRINCIPAL COMPONENT ANALYSIS OF MOLECULAR MARKER DATA, Analytica chimica acta, 278(1), 1993, pp. 159-176
The usefulness of principal component analysis (PCA) and factor analys
is (FA) for source input elucidation in environmental studies using mo
lecular markers for sample description was evaluated. A case study inv
olving the determination of aliphatic and chlorinated hydrocarbons, fa
tty acids, alcohols, chlorophylls and some detergent indicators in wat
er particulates from a deltaic system was selected as a representative
testing dataset. PCA afforded useful results to differentiate between
major groups of samples but not between geochemical sources. In contr
ast, FA provided a direct correspondence between factor loadings and m
arker groups defining geochemically consistent organic matter contribu
tions. For autochthonous compounds, FA has allowed an even more precis
e characterization of input sources than that obtained by the common '
'qualitative'' molecular marker approach. These results were obtained
despite the unsuitable dimensions of the dataset describing the system
[102 compounds (variables) X 40 samples). No improved results were ob
tained from the application of FA or PCA to subgroups of the data invo
lving smaller number of compounds. This is consistent with the hypothe
sis that a limited number of sources is responsible for the occurrence
of these lipid markers in the delta waters.