Many biocatalytic reactions are proceeding via more than one step, and the kinetics of these processes are usually a nightmare for the organic chemist – just imagine that the product from step 1 constitutes the substrate for step 2. In order to facilitate the understanding of complex kinetics, we have developed several computer programs which have a nice and user-friendly surface while all the dry and boring math is hidden behind the screen. All programs are available free of charge from our ftp-server at ftp://borgc185.kfunigraz.ac.at for both Windows and MacOS.

• Selectivity
  This program is used for the calculation of the selectivity of kinetic resolutions – expressed as the Enantiomeric Ratio (E).
• Selectivity-KReSH
  In case you observe some undesired spontaneous background reaction in a kinetic resolution, which is messing up your selectivity, you can calculate the maximum of selectivity, which you would obtain, if you could suppress the background reaction.
• SeKiRe
  Two types of sequential reactions of a bifunctional starting material, i.e. (i) asymmetrization followed by kinetic resolution, and (ii) sequential kinetic resolution can be modelled and analyzed by using this program.
• Cyclo
  Cyclic deracemization of compounds possessing a sec-alcohol or sec-amino group proceeding via a cyclic sequential oxidation-reduction process can be dealt with this program.
• DynRes
  A program for the analysis and optimization of dynamic (kinetic) resolutions is currently being developed and will be published at out website soon.

For further reading see:

• W. Kroutil, A. Kleewein, K. Faber, Tetrahedron: Asymmetry 1997, 8, 3251.
• W. Kroutil, A. Kleewein, K. Faber, Tetrahedron: Asymmetry 1997, 8, 3263.
• W. Kroutil, K. Faber, Tetrahedron: Asymmetry 1998, 9, 2901.