State Key Laboratory of Component-based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China.
State Key Laboratory of Component-based Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 301617, China; Haihe Laboratory of Modern Chinese Medicine, Tianjin 301617, China.
J Pharm Biomed Anal. 2023 Apr 1;227:115288. doi: 10.1016/j.jpba.2023.115288. Epub 2023 Feb 11.
Qingjin Yiqi Granules (QJYQ) is a Traditional Chinese Medicines (TCMs) prescription for the patients with post-COVID-19 condition. It is essential to carry out the quality evaluation of QJYQ. A comprehensive investigation was conducted by establishing deep-learning assisted mass defect filter (deep-learning MDF) mode for qualitative analysis, ultra-high performance liquid chromatography and scheduled multiple reaction monitoring method (UHPLC-sMRM) for precise quantitation to evaluate the quality of QJYQ. Firstly, a deep-learning MDF was used to classify and characterize the whole phytochemical components of QJYQ based on the mass spectrum (MS) data of ultra-high performance liquid chromatography quadrupole time of flight tandem mass spectrometry (UHPLC-Q-TOF/MS). Secondly, the highly sensitive UHPLC-sMRM data-acquisition method was established to quantify the multi-ingredients of QJYQ. Totally, nine major types of phytochemical compounds in QJYQ were intelligently classified and 163 phytochemicals were initially identified. Furthermore, fifty components were rapidly quantified. The comprehensive evaluation strategy established in this study would provide an effective tool for accurately evaluating the quality of QJYQ as a whole.
清金益气颗粒(QJYQ)是一种治疗新冠后症状的中药方剂。对其进行质量评估至关重要。通过建立基于超高效液相色谱-四极杆飞行时间串联质谱(UHPLC-Q-TOF/MS)的质谱数据的深度学习辅助质量亏损滤波器(deep-learning MDF)模式进行定性分析,以及建立超高效液相色谱和预定多重反应监测法(UHPLC-sMRM)进行精确定量,对 QJYQ 的质量进行了全面评估。首先,基于超高效液相色谱-四极杆飞行时间串联质谱(UHPLC-Q-TOF/MS)的质谱数据,使用深度学习 MDF 对 QJYQ 的全植物化学成分进行分类和特征描述。其次,建立了高灵敏度的 UHPLC-sMRM 数据采集方法来定量 QJYQ 的多种成分。总共对 QJYQ 中的九大类植物化学化合物进行了智能分类,并初步鉴定了 163 种植物化学物质。此外,还快速定量了 50 种成分。本研究中建立的综合评价策略将为全面准确评估 QJYQ 的质量提供有效的工具。