2004
DOI: 10.1897/03-176b
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Chemometric modeling of main contamination sources in surface waters of Portugal

Abstract: Various chemometric data analysis methods, such as principal components analysis, multivariate curve resolution-alternating least squares, parallel factor analysis, and Tucker3, are proposed and compared for the resolution and modeling of main contamination sources in a large environmental data array obtained in an exhaustive environmental monitoring program that examined the quality of surface waters of Portugal. The study covered the analysis of 19 priority semivolatile organic compounds (SVOCs) frequently f… Show more

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Cited by 41 publications
(27 citation statements)
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“…PCA technique extracts the eigenvalues and eigenvectors from the covariance matrix of original variables. Assuming a linear model to explain the observed data variance using a reduced number of components, PCA decomposes the X matrix of n sam = rows (samples) and n var =columns (variables) as (K. P. Singh, Malik, V. K. Singh, & Sinha, 2006;Tauler et al, 2004):…”
Section: Principal Components Analysismentioning
confidence: 99%
“…PCA technique extracts the eigenvalues and eigenvectors from the covariance matrix of original variables. Assuming a linear model to explain the observed data variance using a reduced number of components, PCA decomposes the X matrix of n sam = rows (samples) and n var =columns (variables) as (K. P. Singh, Malik, V. K. Singh, & Sinha, 2006;Tauler et al, 2004):…”
Section: Principal Components Analysismentioning
confidence: 99%
“…Domestic sewage of over one million inhabitants from Porto, the Portugal's second largest city, as well as industrial effluents from several industries (food processing, textile, tannery, ceramic, metal platting), are still discharged, mostly without treatment, directly into the estuary and its tributaries (Guerreiro and Pereira, 2002). In the Douro River basin, types of contaminants referred in the literature include high levels of heavy metals (Bettencourt and Ramos, 2003;Mucha et al 2003), and organic compounds (Azevedo et al, 2000;Lacorte et al, 2001;Tauler et al, 2001;Tauler et al, 2004). Station D (St D: 41 • 01 45 N, 8 • 38 44 W) was located in an intertidal zone affected by a small river that crosses several intensive agricultural areas, characterized by extensive pesticide use, receiving also untreated domestic effluents.…”
Section: Sampling Stationsmentioning
confidence: 99%
“…PCA assuming a linear model to explain the observed data variance using a reduced number of components decomposes the X matrix of n obj =rows (samples) and n var =columns (variables), according to (Tauler et al 2004):…”
Section: Principal Component Analysis (Pca)mentioning
confidence: 99%
“…Principal components analysis (PCA), an exploratory data analysis method allows for identification of major contamination sources (principal components) and estimation of their spatial and temporal distributions (Tauler et al 2004), whereas APCS method is used to quantify the contributions of all sources to each measured pollutant (Thurston and Spengler 1985). Subsequent multiple linear regression (MLR) of sample mass concentration on these APCS derives estimated mass concentration of each source.…”
Section: Introductionmentioning
confidence: 99%