Abstract
Vogt, N.B. and Kolset, K., 1989. Composition activity relationships — CARE. Part III. Polynomial principal component regression and response surface analysis of mutagenicity in air samples. Chemometrics and Intelligent Laboratory Systems, 6: 221-237. Parts I and II of this study have investigated and interpreted results from multivariate analysis of element, polycyclic aromatic hydrocarbon (PAH) and mutagenicity variables in two sets of samples. Part III describes the use of second-order polynomial regression models and response surface plots with principal components to interpret the relationship between source/process contrasts in chemistry data and mutagenicity. The results show that the variation found in the first principal component of the PAH data interpreted as a combined quantitative and atmospheric process component is important for predicting mutagenicity. The higher order regression models show that there is significant interaction between orthogonal components interpreted as source contrasts to predict mutagenicity in air samples. The approach reported represents a feasible method for investigating source/process-effect analysis and determining quantitative recipient-oriented effect estimations from environmental survey data.
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