LABORATORY OF ENVIROLMENTAL CHEMOMETRICS
In our research we develop and apply advanced methods of chemometrics, statistics and computational chemistry to environmental problems. By employing computational resources, we are able to extract useful information from multivariate environmental data. Moreover, we can successfully model processes and phenomena that are important from the environmental point of view. Our studies are especially focused on developing Quantitative Structure – Activity Relationships (QSARs) to predict toxicity and phys/chem properties of novel chemicals. In consequence, a comprehensive risk assessment for new substances becomes possible without a vast number of experiments performed on living animals. Moreover, costs and time of the risk assessment procedures can be significantly reduced.
We are interested on both types of potentially harmful chemicals: intentionally synthetised novel compounds (e.g., engineered nanomaterials) and compounds that currently have been identified as emerging environmental pollutants, unintentionally released to the environment in effect of human activity (e.g., new representatives of Persistent Organic Pollutants). Alternative methods of risk assessment (including QSAR) are strongly recommended by the European system of controlling chemicals, so-called REACH (Registration, Evaluation, Authorization and restriction of CHemicals). According to the REACH regulation (EC No 1907/2006) that entered into force in 2007, producers and/or importers of articles are obliged to register or notify those substances in their articles which meet the criteria for classification as dangerous, are present in a quantity of more than 1 tonne per producer or importer per year per article type and are either intentionally or unintentionally released.