ORGSPEC Speciation and quantification of emerging organic pollutants

OrgSpec - Speciation and quantification of emerging pollutants Final Report Duration: 01.01.2011 - 31.12.2015 Annual Budget: 1,7 Mill NOK Analysis of complex mixtures in environmental samples is an extremely difficult task. In most cases, sample matrices require a complex sample preparation. Following that, ultra trace analytical methods are developed for specific groups of substances. This traditional targeted approach provides excellent sensitivity and reliable identification and quantification of the analytes. However, unknowns and untargeted substances have been overlooked even when present at high concentrations. Therefore, suspect and non-target screening methods are increasingly realized as an important tool in environmental chemistry. For organic pollutants, two complementary techniques have shown to be important and relevant. For the lipophilic and non-polar compounds, GC-based techniques like GCxGC-MS-ToF and GC-QToF, are best suited, whereas for the more polar compounds different, LC-techniques normally give the best results. Both approaches were tested for a long range of different compounds in the OrgSpec-SIS. In the first years of OrgSpec, a major focus was given to study of ambient air samples from the Arctic that were analysed on potential new persistent organic pollutants (POPs) by GCxGC/ToF-MS. The samples were analysed for contaminants (e.g. chlorinated and brominated organics, PAHs, PAH analogs and nitro compounds) by applying advanced data filtration tools (VB Scripts). This technique allows detecting of compounds without a commercially available library of known mass spectra. The mass spec library, however, was used either to identify the detected compounds or to determine if further investigation was needed to identify the detected compounds. In addition, the samples were also examined for potential new contaminants that were proposed by modelling approaches. By evaluating the model results, this can help to improve the quality of the available models, as well as develop highly sensitive non-target screening methods for the identification of hitherto unknown POP-like chemical residues in the environment. In the later years, more focus was given to more polar compounds like pharmaceuticals, personal care products, and a huge range of industrial chemicals. Based on the application of LC/ToF and LC/Q-ToF techniques, a similar non-target screening approach was developed for these compounds of higher polarity. The separation capacity of even the most advanced LC-chromatography cannot be compared to GCxGC-separation. Furthermore, LC-MS-techniques are restricted by mass spectra with lesser structural information. Therefore, it is necessary to apply a more complex and time-consuming data treatment. In many cases, the structure of the compounds are only tentatively assigned and more research is needed to confirm the identity of the compounds. During the last years, these techniques were already used in a remarkable number of projects for Norwegian Environment Agency (Miljødirektoratet), Research Council of Norway (NFR), Norwegian Polar Institute, ØKOKRIM, other research institutes and different private organizations and customers. Non-target screening has proven to be a practical and useful tool for identification of unknown or new emerging environmental pollutants. It was possible to identify a huge number of new or earlier unrecognized contaminants in different environmental samples. New techniques developed under the OrgSpec-SIS qualified NILU in performing a screening study for Norwegian Environment Agency for contaminants of emerging concern. The overall objective of these programs are to establish the occurrence and environmental impact of these new persistent organic pollutants in marine and freshwater environments, with particular focus on their potential to bioaccumulate. For a fast and effective development of the suspect and non-target screening approach, a strong international cooperation is required. NILU is collaborating in this field with other Norwegian, Scandinavian, and European universities and institutes. Most important during the last years, was the collaboration with NIVA in Oslo with common research projects, NMBU in Ås with common PhD students and with Umeå University. To improve the exchange of ideas, information, data, and mass spec libraries, NILU has also become a leading member of the European NORMAN network (Network of reference laboratories, research centres and related organisations for monitoring of emerging environmental substances). The OrgSpec-SIS has proven that non-target screening is a practical and useful tool for identification of unknown or new emerging environmental pollutants. It is possible to identify huge numbers of new or earlier unrecognized contaminants in different environmental samples.

A substantial number of different organic chemical substances are emitted to, and circulating, in the environment, some of which may be harmful. However, the identity and quantity of the majority of all sampled compounds remains still unknown. The researc h and management related focus on organic environmental pollutants will therefore be high also in future. Important questions from the society are (1) to identify and quantify harmful substances in the environment, (2) to explain and understand their tra nsport and fate mechanism and (3) to evaluate the risks associated with human and environmental exposure. NILU, which is a leading institute in Norway on integrated measurement and modelling of organic environmental pollutants, is continuously challenged to develop new sampling techniques, analytical methods and new models to cope with emerging groups of pollutants. Further strategic research on these issues is expected to sustain and expand NILUs position as a leading institute in the field of environmen tal chemistry within Norway. Strategic investments and continuous capacity building on these issues are considered essential in order to be able to assist the scientific community, authorities, industry and the society with relevant knowledge related to e merging organic pollutants, also in the future. This project will further develop and evaluate new analytical techniques developed by academic groups working in the field of pure analytical chemistry and make these techniques suitable for the field of env ironmental analytical chemistry. The ultimate goal of this project is to further develop, evaluate and improve an integrated approach for sampling, identification and quantification of emerging organic pollutants.