Additional file 1 of Liver metabolomics reveals potential mechanism of Jieduan-Niwan formula against acute-on-chronic liver failure (ACLF) by improving mitochondrial damage and TCA cycle

Additional file 1: Figure S1. Results of the UPLC-MS/MS analysis of the JDNWF. Figure S2. PCA analysis of quality control samples. A PCA diagram of all samples. B Distribution of PC1 in each sample. Figure S3. The typical total ion current (TIC) chromatogram of metabolites generated by LC-MS/MS. Figure S4. Cluster heat map of 108 significant metabolites. Table S1. Identification of compounds in JDNWF. Table S2. Top 20 metabolic pathways in rat liver analyzed by ORA. Table S3. 108 significant metabolites of JDNWF in the treatment of ACLF. Table S4. Pathway analysis of 108 significant metabolites.

附加文件1：
补充图S1：JDNWF的超高效液相色谱-串联质谱（UPLC-MS/MS）分析结果。
补充图S2：质控样品的主成分分析（PCA）：A 所有样品的主成分分析图；B 各样品中PC1的分布情况。
补充图S3：液相色谱-串联质谱（LC-MS/MS）检测得到的代谢物典型总离子流色谱图（TIC）。
补充图S4：108个差异代谢物的聚类热图。
补充表S1：JDNWF中化合物的鉴定结果。
补充表S2：经过代表分析（ORA）得到的大鼠肝脏中排名前20的代谢通路。
补充表S3：JDNWF用于治疗慢加急性肝衰竭（ACLF）时涉及的108个差异代谢物。
补充表S4：108个差异代谢物的通路分析结果。