Dataset for aldol synthesis of L-phenylserine

______About the dataset______

* The dataset contains peak areas of phenylserine read off from HPLC chromatograms, which were subsequently converted to concentration. We studied aldol synthesis of L-phenylserine (LPS) diastereoisomers (L-anti- and L-syn-) using an enzyme L-threonine aldolase in an aqueous solution, with glycine and benzaldehyde as substrates. The reaction was performed in various experimental setup arrangements. 

______Methods of data collection______

* HPLC analysis:

Samples taken from the reactors were analyzed in the HPLC system Agilent 1260 equipped with a UV–VIS detector and a chiral column (Nucleosil Chiral-1, Macherey-Nagel). An aqueous solution of 0.5 mM CuSO4 was used as a mobile phase. The flow rate was set to 1 mL min-1. The column was tempered to 50 ◦C. The absorbance was measured at the wavelength of 200 nm.

______Methods of data processing______

* There is a lot of raw data from HPLC, and special software (OpenLab CDS) is needed to open it. HPLC software allows data from the chromatograms to be exported to an XLSX file. Raw data exported from chromatograms are denoted as “PA L-anti PS” and “PA L-syn PS”, which are peak areas of L-anti- and L-syn-phenylserine read off from the HPLC chromatogram. These peak areas were then recalculated to concentrations using calibration. The following quantities were then calculated from the concentrations: yield (defined as total (anti+syn) phenylserine concetration divided by initial concetration of glycine) and enantiomer ratio (ratio of L-anti- and L-syn-phenylserine concentrations). The XLSX files were then converted to CSV.

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______ List of files______

* 0-ReadMeFile.txt

* 1-calibration_of_phenylserine.csv

* 2-batch_synthesis_with_two_phases.csv

* 3-batch_synthesis_with_one_aqueous_phase.csv

* 4-membrane-assisted synthesis.csv

* 5-semi-continuous_synthesis_in_a_membrane_module.csv

* 6-synthesis_in_a_membrane_module_with_recycling.csv