Contributors:Polonca Trebše, Mojca Bavcon Kralj, Olga V. Polyakova, Sergey A. Pokryshkin, Elena A. Detenchuk, Albert Lebedev
The manuscript deals with the transformation of avobenzone, a widespread UV filter, under disinfection conditions. In its pure form avobenzone is known to undergo several transformations including photo-isomerisation, photodegradation, and halogenation. Over 60 disinfection by-products were identified as transformation products of avobenzone in different disinfecting reactions of chlorination and bromination in fresh and sea water. Two occasional samples of swimming pool water demonstrated the presence of some of these by-products in rather high levels. Although the toxicity of the majority of these products remain unknown substituted chlorinated phenols and acetophenones are known to be rather toxic.
Aquatic bromination of avobenzone resulted in the identification of 33 DBPs. Many of them contain bromine in the molecular structure. Addition of copper salt slightly decreases conversion rate simultaneously increasing the levels of major brominated products. Special attention requires 65-fold increase of the toxic bromoform level. After 24 hours of bromination bromoform becomes the major product of the reaction.
Degradation of 3 commercial sunscreen products (solar protection factor 30) containing avobenzone under different experimental conditions including UVA/UVB, UVC photostimulation and chlorination was studied. The commercial sunscreen products have completely different enhancing and inhibitory effect on avobenzone degradation under UVC light. The complex composition of commercial products caused also a protective shield in case of chlorinated solutions of commercial formulations exposed to chlorine and UVA/UVB light at the same time.
Contributors:Claudia Moeckel, Alhaji Sankoh, Therese Haugdahl Nøst, Knut Breivik, Kevin Jones, Andrew Sweetman
All concentrations are given on a dry soil weight basis. Concentrations of organic pollutants are given in ng/g, concentrations of metals in ug/g and the organic carbon content is given in g/g.
Concentrations below the detection limit were replaced by 0.5 * MDL (refer to the Supplementary Information for details). A concentration of zero means that the compound could not be quantified because of interferences. Zero-values should therefore be excluded from statistical analyses.
Contributors:Laura Carter, Annika Agatz, Mike Williams, Anu Kumar
We have provided full details of the altered model (BEEHAVE) to carry out the simulation of pharmaceutical translocation from nectar and pollen to beehives in the Supporting Information, in addition the model and input files are provided as zip files.