Shen-Wu-Yi-Shen tablets (SWYST) is a traditional Chinese medicine prescription used for treating chronic kidney disease (CKD). This study aims to characterize the constituents in SWYST and evaluate the quality based on the quantification of multiple bioactive components. SWYST samples were analyzed with ultra-high-performance liquid chromatography quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) and a data-processing strategy. As a result, 215 compounds in SWYST were unambiguously identified or tentatively characterized, including 14 potential new compounds. Meanwhile, strategies based on characteristic fragments for rapid identification were summarized, indicating that the qualitative method is accurate and feasible. Notably, the glucose esters of laccaic acid D-type anthraquinone were first found and their fragmentation patterns were described by comparing that of O-glycoside isomers. Besides, based on comparisons of the cleavage ways of mono-acyl glucose with different acyl groups or acylation sites, differences in fragmentation pathways between 1,2-di-O-acyl glucose and 1,6-di-O-acyl glucose were proposed for the first time and verified by reference substances. In addition, a validated UPLC-DAD was established for the determination of 11 major bioactive components related to treatment of CKD (albiflorin, paeoniflorin, 2,3,5,4′-tetrahydroxy-stilbene-2-O-β-d-glucoside (TSG), 1-O-galloyl-2-O-cinnamoyl-β-d-glucose, emodin-8-O-β-d-glucoside, chrysophanol-O-β-d-glucoside, aloe-emodin, rhein, emodin, chrysophanol and physcion). Moreover, TSG and 1-O-galloyl-2-O-cinnamoyl-β-d-glucose were found as the quality markers related to the origins of SWYST based on multivariate statistical analysis. Conclusively, the findings in this work provide a feasible reference for further studies on quality research and mechanisms of action in treating CKD.

中文翻译：

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参五益肾片的UPLC-Q-TOF-MS/MS化学分析及基于UPLC-DAD结合多元统计分析的质量评价

参五益肾片（SWYST）是一种用于治疗慢性肾脏病（CKD）的中药方剂。本研究旨在表征 SWYST 的成分，并根据多种生物活性成分的定量来评估其质量。使用超高效液相色谱四极杆飞行时间质谱 (UPLC-Q-TOF-MS) 和数据处理策略对 SWYST 样品进行分析。结果，SWYST 中的 215 种化合物被明确鉴定或初步表征，其中包括 14 种潜在的新化合物。同时总结了基于特征片段的快速鉴定策略，表明该定性方法准确可行。值得注意的是，首次发现了漆酸D型蒽醌的葡萄糖酯，并通过比较O-糖苷异构体描述了其断裂模式。此外，通过比较不同酰基或酰化位点的单酰基葡萄糖的裂解方式，提出了1,2-二-O-酰基葡萄糖和1,6-二-O-酰基葡萄糖裂解途径的差异。首次并通过对照品验证。此外，还建立了经过验证的UPLC-DAD，用于测定与CKD治疗相关的11种主要生物活性成分（白花苷、芍药苷、2,3,5,4'-四羟基-二苯乙烯-2-O-β-d-葡萄糖苷） (TSG)、1-O-没食子酰-2-O-肉桂酰-β-d-葡萄糖、大黄素-8-O-β-d-葡萄糖苷、大黄酚-O-β-d-葡萄糖苷、芦荟大黄素、大黄酸、大黄素、大黄酚和大黄素甲醚）。此外，通过多变量统计分析，发现TSG和1-O-没食子酰-2-O-肉桂酰-β-d-葡萄糖是与SWYST起源相关的质量标志。总之，本工作的研究结果为进一步研究治疗 CKD 的质量研究和作用机制提供了可行的参考。