10.18419/darus-2466Spöring, Jan-DirkJan-DirkSpöring0000-0002-5656-3537Forschungszentrum JülichPropioin Synthesis using Benzoin AldolaseDaRUS2022ChemistryMedicine, Health and Life SciencesBiocatalysisEnzymologyEnzymeMLBiotechnologySpöring, Jan-DirkForschungszentrum JülichProf. Dr. Dörte RotherDörteDr. Dörte RotherForschungszentrum Jülich2022-02-15213523370application/x-ipynb+jsontext/plain1.0CC BY 4.0Investigated was the ligation of two molecules propanal in organic conditions, catalysed by the benzoin aldolase, which was added in the form of lyophillised whole cells. The reaction was performed in triplicate, with 200 mM as the starting concentration of the propanal in all cases. Triethanolamine was chosen as buffer, together with Cyclopentyl methyl ether as the organic solvent, the experiment was performed at 30°C and at a pH of 9. The concentration of propioin was followed over the course of 2 hours.PyEnzyme, 1.1.0BioCatHub, 1.0.0The OMEX EnzymeML archive was created using the web-based electronic lab notebook BioCatHub (https://biocathub.net) and its EnzymeML export implementation. In addition, the appended notebook was used to model the data by utilizing the Python library <b>lmfit</b> in conjunction with <b>PyEnzyme</b>. For an inspection of the data it is advised to use the <a href="https://github.com/EnzymeML/PyEnzyme">PyEnzyme</a> library.DFGEXC 2075 - 390740016