NDLI: GEMAS: prediction of solid-solution phase partitioning coefficients (Kd) for oxoanions and boric acid in soils using mid-infrared diffuse reflectance spectroscopy.

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GEMAS: Prediction of solid-solution partitioning coefficients $(K_{d})$ for cationic metals in soils using mid-infrared diffuse reflectance spectroscopy

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GEMAS: prediction of solid-solution phase partitioning coefficients (Kd) for oxoanions and boric acid in soils using mid-infrared diffuse reflectance spectroscopy.

Content Provider	World Health Organization (WHO)-Global Index Medicus
Author	Janik, Leslie J. Forrester, Sean T. Soriano-Disla, José M. Kirby, Jason K. McLaughlin, Michael J. Reimann, Clemens
Spatial Coverage	Europe
Description	Country affiliation: Australia Author Affiliation: Janik LJ ( Contaminant Chemistry and Ecotoxicology Program, Sustainable Agriculture Flagship Program, Waite Campus, CSIRO Land and Water, South Australia, Australia.)
Abstract	The authors' aim was to develop rapid and inexpensive regression models for the prediction of partitioning coefficients (Kd), defined as the ratio of the total or surface-bound metal/metalloid concentration of the solid phase to the total concentration in the solution phase. Values of Kd were measured for boric acid (B[OH]3(0)) and selected added soluble oxoanions: molybdate (MoO4(2-)), antimonate (Sb[OH](6-)), selenate (SeO4(2-)), tellurate (TeO4(2-)) and vanadate (VO4(3-)). Models were developed using approximately 500 spectrally representative soils of the Geochemical Mapping of Agricultural Soils of Europe (GEMAS) program. These calibration soils represented the major properties of the entire 4813 soils of the GEMAS project. Multiple linear regression (MLR) from soil properties, partial least-squares regression (PLSR) using mid-infrared diffuse reflectance Fourier-transformed (DRIFT) spectra, and models using DRIFT spectra plus analytical pH values (DRIFT + pH), were compared with predicted log K(d + 1) values. Apart from selenate (R(2) = 0.43), the DRIFT + pH calibrations resulted in marginally better models to predict log K(d + 1) values (R(2) = 0.62-0.79), compared with those from PSLR-DRIFT (R(2) = 0.61-0.72) and MLR (R(2) = 0.54-0.79). The DRIFT + pH calibrations were applied to the prediction of log K(d + 1) values in the remaining 4313 soils. An example map of predicted log K(d + 1) values for added soluble MoO4(2-) in soils across Europe is presented. The DRIFT + pH PLSR models provided a rapid and inexpensive tool to assess the risk of mobility and potential availability of boric acid and selected oxoanions in European soils. For these models to be used in the prediction of log K(d + 1) values in soils globally, additional research will be needed to determine if soil variability is accounted on the calibration.
File Format	HTM / HTML
ISSN	07307268
Issue Number	2
Volume Number	34
e-ISSN	15528618
Journal	Environmental Toxicology and Chemistry
Language	English
Publisher	Wiley
Publisher Date	2015-02-01
Publisher Place	United States
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Geography Models, Theoretical Soil Pollutants Research Support, Non-u.s. Gov't Least-squares Analysis Discipline Environmental Health Europe Discipline Toxicology Linear Models Calibration Journal Article Anions Chemistry Spectrophotometry, Infrared Solutions Analysis Soil Discipline Chemistry Agriculture Hydrogen-ion Concentration Boric Acids Methods
Content Type	Text
Resource Type	Article
Subject	Environmental Chemistry Health, Toxicology and Mutagenesis

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GEMAS: Prediction of solid-solution partitioning coefficients $(K_{d})$ for cationic metals in soils using mid-infrared diffuse reflectance spectroscopy

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