Abstract
Total and human ingestion bioaccessible polycyclic aromatic hydrocarbon fractions of individual polycyclic aromatic hydrocarbons were determined (representative of a combination of the saliva, gastric and upper intestine compartments) on 26 soil samples from 3 gasworks sites and from a domestic garden. A Random Forest model using the Infra-red spectra of the soils and the PAH properties successfully predicted the bioaccessibility of PAHs in the soils. The Near Infra-red and Mid Infra-red diffuse reflection spectra of the soils were subjected to a mixture resolution algorithm. Comparison with spectra of known minerals tentatively identified carbonate, silica, clay and iron oxide components in the Mid Infra-red spectra. Multiple linear regression analysis suggested that three Mid Infra-red components were associated with the organic carbon. Principal Component Analysis of polycyclic aromatic hydrocarbon properties identified three components associated with the hydrophobicity, the aliphatic nature and the vapour phase partition coefficient of the polycyclic aromatic hydrocarbons.
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