Research for the Environment

Experimental Methods

  • Measurement of physicochemical properties of pure substances and mixtures;
  • Leaching of soils, sediments and waste material;
  • Passive sampling of organic pollutants in water and air (SPMD, MESCO, SPME);
  • Trace analysis of organic substances (GC, HPLC).
  • Chemical toxicity towards luminiscent bacteria and towards ciliates
  • Structure-activity analyses of the toxicity of chemicals

Theoretical methods

  • Quantum-chemical calculation methods (semiempirical, DFT, ab initio);
  • Molecular modeling;
  • Parameters to describe the molecular reactivity;
  • Increment methods to predict compound properties from the molecular structure (own development software system ChemProp)
  • Qualitative and quantitative structure-activity relationships;
  • Multimedia models (fugacity theory + advection-diffusion equation);
  • Applied statistics (multivariate techniques, continuous and categorial variables, simulation calculations to validate empirical regression relationships, artificial neural networks).

Department News

Defences  of Doctoral Theses

Within week 51 of 2015, three defences of doctoral theses resulting from research in our department took place at the TU Freiberg.

Roman Gunold, Rebecca Hiltrop and Heiko Hammer successfully defended their theses.

Newest Publications

Salmina et al. 2016. Variation in predicted internal concentrations ... PBPK model ...
Sci. Total Environ.

Eremina et al. 2016. Distribution of polychlorinated biphenyls ...
Environ. Pollut.

Hirte et al. 2016. New hydrolysis products of the beta-lactam antibiotic amoxicillin ...
Water Res.

Petersen et al. 2016. Development and field test of a mobile continuous flow system utilizing Chemcatcher ...
Environ. Sci.: Water Res. Technol.

Junker et al. 2016. ... screening tools for biodegradation in water-sediment systems and soil.
Sci. Total Environ.

Schüürmann et al. 2016. Inhalation threshold of toxicological concern (TTC) – Structural alerts ...
Environ. Int.

More information is available here:

Updated Software

ChemProp - new download link

Important: The ChemProp download has been moved to a new server.

The current version is 6.3 (released on August 6 2015).

Be aware, older versions until 6.1 are expired already!

The change log is located here:

The license agreements as well as a poster about ChemProp (state of May 2012) are available for download:

Contact and News Feeds

Any questions to the department regarding internships as well as bachelor, master, diploma or dissertation theses):

Scheduled public department events, new ChemProp versions and new publications will be announced via news feeds.


Events

ChemProp

Publications

Top 3