Dataset for Enzyme synthesis and continuous flow separation of (R)-1-phenylethanol in a modular microfluidic system

______Dataset for Enzyme synthesis and continuous flow separation of (R)-1-phenylethanol in a modular microfluidic system___________ ______Contact______* Michal Pribyl* [e-mail]* [phone]* ORCID: 0000-0002-8288-9127* Dept. of Chemical Engineering, Faculty of Chemical Engineering, University of Chemistry and Technology, Prague* Technicka 5, 166 28, Prague 6, Czech Republic ______Data manager or custodian______* Lukas Sauer* [e-mail]* [phone]* ORCID: 0000-0002-8911-9299* Dept. of Chemical Engineering, Faculty of Chemical Engineering, University of Chemistry and Technology, Prague* Technicka 5, 166 28, Prague 6, Czech Republic ______Licence______* Dataset for Enzyme synthesis and continuous flow separation of (R)-1-phenylethanol in a modular microfluidic system by Lukas Sauer is licensed under CC BY 4.0* licence information: https://creativecommons.org/licenses/by/4.0/------------------------------------------------------------------------------------------------ ______About the dataset______* The dataset contains peak areas of phenylethanol, phenylethyl acetate read off from HPLC chromatograms, which were subsequently converted to concentration. Our study aims to develop a functional modular microfluidic system capable of continuously producing an industrially significant enantiomer (R)-(+)-1-phenylethanol (R-PE) from racemic 1-phenylethyl acetate (PEAc). The system consists of a packed-bed reactor (PBR) with an immobilized lipase, which synthesizes R-PE, and a slug flow extractor (SFE), where the unreacted substrate is removed from the reaction solution using hexane. ______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 Lux Cellulose-1 (Phenomenex). The absorbance was measured at the wavelength of 220 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 “A (R,S-PE)” and “A (R,S-PEAc)”, which are peak areas of (R), (S)-(+)-1-phenylethanol and (R), (S)-(-)-1-phenylethyl acetate read off from the HPLC chromatogram. These peak areas were then recalculated to concentrations using calibration. The XLSX files were then converted to CSV.模块化微流控系统中(R)-1-苯乙醇的酶促合成与连续流分离数据集 ______联系人______ * 米哈尔·普里比尔（Michal Pribyl） * 电子邮箱：[e-mail] * 联系电话：[phone] * ORCID：0000-0002-8288-9127 * 所属机构：布拉格化工技术大学化工学院化学工程系 * 通讯地址：捷克共和国布拉格6区特赫尼茨卡5号，邮编166 28 ______数据管理员/保管人______ * 卢卡斯·佐伊尔（Lukas Sauer） * 电子邮箱：[e-mail] * 联系电话：[phone] * ORCID：0000-0002-8911-9299 * 所属机构：布拉格化工技术大学化工学院化学工程系 * 通讯地址：捷克共和国布拉格6区特赫尼茨卡5号，邮编166 28 ______许可证______ * 本数据集《模块化微流控系统中(R)-1-苯乙醇的酶促合成与连续流分离数据集》由卢卡斯·佐伊尔发布，采用知识共享署名4.0（CC BY 4.0）许可协议授权。 * 许可协议详情：https://creativecommons.org/licenses/by/4.0/ ______数据集概况______ * 本数据集包含从高效液相色谱（High Performance Liquid Chromatography，HPLC）色谱图中读取的苯乙醇与乙酸苯乙酯的峰面积，并经后续处理转换为浓度数值。本研究旨在开发一套功能完备的模块化微流控系统，可从外消旋乙酸1-苯乙酯（PEAc）出发，连续制备具有工业应用价值的对映体(R)-(+)-1-苯乙醇（R-PE）。该系统由两部分组成：搭载固定化脂肪酶的填充床反应器（packed-bed reactor, PBR），用于合成R-PE；以及弹状流萃取器（slug flow extractor, SFE），以正己烷为萃取剂从反应液中脱除未反应的底物。 ______数据收集方法______ * HPLC分析：从反应器中采集的样品采用配备紫外-可见光检测器与手性柱Lux Cellulose-1（Phenomenex）的安捷伦1260型高效液相色谱系统进行分析，检测波长设定为220 nm。 ______数据处理方法______ * 本数据集包含大量HPLC原始数据，需使用专用软件OpenLab CDS方可打开。HPLC配套软件支持将色谱图数据导出为XLSX格式文件。从色谱图中导出的原始数据标注为"A (R,S-PE)"与"A (R,S-PEAc)"，分别对应从HPLC色谱图中读取的(R)、(S)-(+)-1-苯乙醇与(R)、(S)-(-)-乙酸1-苯乙酯的峰面积。随后通过校准曲线将上述峰面积换算为对应浓度值，最后将XLSX格式文件转换为CSV格式。