Details zur Publikation

Referenztyp Zeitschriften
DOI / URL Link
Titel (primär) Experimentally determined soil organic matter–water sorption coefficients for different classes of natural toxins and comparison with estimated numbers
Autor Schenzel, J.; Goss, K.-U.; Schwarzenbach, R.P.; Bucheli, T.D.; Droge, S.T.J.;
Journal / Serie Environmental Science & Technology
Erscheinungsjahr 2012
Department AUC;
Band/Volume 46
Heft 11
Sprache englisch;
Abstract

Although natural toxins, such as mycotoxins or phytoestrogens are widely studied and were recently identified as micropollutants in the environment, many of their environmentally relevant physicochemical properties have not yet been determined. Here, the sorption affinity to Pahokee peat, a model sorbent for soil organic matter, was investigated for 29 mycotoxins and two phytoestrogens. Sorption coefficients (Koc) were determined with a dynamic HPLC-based column method using a fully aqueous mobile phase with 5 mM CaCl2 at pH 4.5. Sorption coefficients varied from less than 100.7 L/kgoc (e.g., all type B trichothecenes) to 104.0 L/kgoc (positively charged ergot alkaloids). For the neutral compounds the experimental sorption data set was compared with predicted sorption coefficients using various models, based on molecular fragment approaches (EPISuite’s KOCWIN or SPARC), poly parameter linear free energy relationship (pp-LFER) in combination with predicted descriptors, and quantum-chemical based software (COSMOtherm)). None of the available models was able to adequately predict absolute Koc numbers and relative differences in sorption affinity for the whole set of neutral toxins, largely because mycotoxins exhibit highly complex structures. Hence, at present, for such compounds fast and consistent experimental techniques for determining sorption coefficients, as the one used in this study, are required.

ID 12459
dauerhafte UFZ-Verlinkung https://www.ufz.de/index.php?en=20939&ufzPublicationIdentifier=12459
Schenzel, J., Goss, K.-U., Schwarzenbach, R.P., Bucheli, T.D., Droge, S.T.J. (2012):
Experimentally determined soil organic matter–water sorption coefficients for different classes of natural toxins and comparison with estimated numbers
Environ. Sci. Technol. 46 (11), 6118 - 6126