Metabolomic and Fluxomic data for: Control of redox potential in a novel continuous bioelectrochemical system led to remarkable metabolic and energetic responses of Clostridium pasteurianum grown on glycerol

This data repository contains data and information in relation with the following scientific research paper: Arbter P, Widderich N, Utesch T, Hong Y, Zeng AP. Control of redox potential in a novel continuous bioelectrochemical system led to remarkable metabolic and energetic responses of Clostridium pasteurianum grown on glycerol. Microbial Cell Factories (submitted). The repository consists of three folders: the first folder contains the metabolomic data (displayed in Figure 3 of the paper). The second folder contains the results of the metabolic flux analysis (MFA, Figure 2) and the metabolic model. The metabolic model is given as the stoichiometric matrix, in .sbml format exported from CellNetAnalyzer, and also the model folder for import and use with the software. The MFA folder does also contain a short description of the model with explanations and additional references from literature. The third folder contains all files related to the symbolic metabolic control analysis (symMCA) and regulation analysis (RA, Figure 6). The exact method for generation of the metabolomic data (sampling, extractions, and LC-MS/MS quantification) is described in detail in a previous paper: Arbter P, Widderich N, Utesch T, Hong Y, Zeng AP. Metabolomic and kinetic investigations on the electricity-aided production of butanol by Clostridium pasteurianum strains. Eng Life Sci. 2021; 21: 181– 195. https://doi.org/10.1002/elsc.202000035

本数据集仓库包含与以下科研论文相关的数据与信息：Arbter P、Widderich N、Utesch T、Hong Y、Zeng AP所撰写的《在新型连续生物电化学系统中调控氧化还原电位可使以甘油为底物生长的拜氏梭菌（Clostridium pasteurianum）产生显著的代谢与能量响应》，该论文已提交至《微生物细胞工厂（Microbial Cell Factories）》。
本仓库共包含三个文件夹：第一个文件夹存放代谢组学数据（对应论文中的图3）。第二个文件夹包含代谢流分析（Metabolic Flux Analysis, MFA）的结果与代谢模型：该代谢模型以化学计量矩阵形式提供，可从CellNetAnalyzer导出为.sbml格式，同时附带可导入该软件并使用的模型文件夹。该MFA文件夹还包含对该模型的简短说明、解释及相关文献参考文献。第三个文件夹包含与符号化代谢控制分析（symbolic Metabolic Control Analysis, symMCA）及调控分析（Regulation Analysis, RA，对应论文中的图6）相关的全部文件。
代谢组学数据的具体生成方法（包括采样、提取及液相色谱-串联质谱（LC-MS/MS）定量），已在之前发表的论文中详细阐述：Arbter P、Widderich N、Utesch T、Hong Y、Zeng AP. 《以拜氏梭菌菌株电力辅助生产丁醇的代谢组学与动力学研究》，《生命科学工程（Engineering in Life Sciences, Eng Life Sci）》，2021年；21卷：181–195。DOI: 10.1002/elsc.202000035