Predicting bioavailability change of complex chemical mixtures in contaminated soils using visible and near-infrared spectroscopy and random forest regression

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dc.contributor.authorCipullo, S.
dc.contributor.authorNawar, S.
dc.contributor.authorMouazen, A. M.
dc.contributor.authorCampo Moreno, Pablo
dc.contributor.authorCoulon, Frederic
dc.date.accessioned2019-03-15T10:28:13Z
dc.date.available2019-03-15T10:28:13Z
dc.date.issued2019-03-14
dc.description.abstractA number of studies have shown that visible and near infrared spectroscopy (VIS-NIRS) offers a rapid on-site measurement tool for the determination of total contaminant concentration of petroleum hydrocarbons compounds (PHC), heavy metals and metalloids (HM) in soil. However none of them have yet assessed the feasibility of using VIS-NIRS coupled to random forest (RF) regression for determining both the total and bioavailable concentrations of complex chemical mixtures. Results showed that the predictions of the total concentrations of polycyclic aromatic hydrocarbons (PAH), PHC, and alkanes (ALK) were very good, good and fair, and in contrast, the predictions of the bioavailable concentrations of the PAH and PHC were only fair, and poor for ALK. A large number of trace elements, mainly lead (Pb), aluminium (Al), nickel (Ni), chromium (Cr), cadmium (Cd), iron (Fe) and zinc (Zn) were predicted with very good or good accuracy. The prediction results of the total HMs were also better than those of the bioavailable concentrations. Overall, the results demonstrate that VIS-NIR DRS coupled to RF is a promising rapid measurement tool to inform both the distribution and bioavailability of complex chemical mixtures without the need of collecting soil samples and lengthy extraction for further analysis.en_UK
dc.identifier.citationS. Cipullo, S. Nawar, A. M. Mouazen, et al., Predicting bioavailability change of complex chemical mixtures in contaminated soils using visible and near-infrared spectroscopy and random forest regression. Scientific Reports, Volume 9, 2019, Article number 4492en_UK
dc.identifier.issn2045-2322
dc.identifier.urihttps://doi.org/10.1038/s41598-019-41161-w
dc.identifier.urihttp://dspace.lib.cranfield.ac.uk/handle/1826/13992
dc.language.isoenen_UK
dc.publisherNature Publishing Groupen_UK
dc.rightsAttribution 4.0 International*
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/*
dc.titlePredicting bioavailability change of complex chemical mixtures in contaminated soils using visible and near-infrared spectroscopy and random forest regressionen_UK
dc.typeArticleen_UK

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