明晰单味药中有效组分及各组分间分子协同机理是揭示中药配伍内涵的关键。液质联用技术可追踪微量组分及其代谢物，但部分组分浓度过低无法检识，而根据化学计量学分析，这些组分富集于体内可能产生活性，或各组分间强相互干扰造成信息无法完整解读等问题依然存在。分子印迹技术可有针对性的富集样本、提高浓度、减少杂质干扰。前期研究应用雷公藤甲素诱导的药物性肝病DILI小鼠模型，筛选出赶黄草和乌桕可有效逆转DILI，但是进行活性组分追踪时，发现单一组分较粗体物活性指数明显降低。因此，在本申请中提出大胆假设：即活性组分间或组分与代谢物间的“协同效应”发挥了增效作用，本申请拟融合MIT和液质联用的技术优势，构建活性组分代谢谱，并以DILI中关键生物标志物为模板制备大分子印迹材料，进而利用已捕捉结合的大分子反向捕捉活性组分，构建关键分子结合谱，通过整合谱效信息和活性验证，锁定有效物质群，阐明有效物质间的协同增效作用。

To clarify the effective components of a single chinese herb, and illuminate the synergistic interaction of components, it is the critical progress for revealing the connotation of compatibility relation of traditional chinese medicine. The thechnology of ultra performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry is useful to track and identify the microconstituents. While the concentration of some ingredients is lower than the detection line, these compounds, which can not be detected accurately, may be the active constituents according to the chemometrics. The interferences of components also have impact on the detection progress of UPLC/Q-TOFMS, too much unuseful message impede the understanding of useful message. Thus, it is necessary to increase concentration of active constituents and correlative metabolites and minimize interference of impurities by MIP technique. Two anti-drug induced liver injury botanical, Penthorum chinense Pursh and Triadica sebifera, were screened on the triptolide-induced liver injury. In the progress of active component tracking, a general concern problem emerged, the activity of a single compound from the botanical is apparently reduced relative to the crude extract, the research is focused on the concern problem. In this application, a bold hypothesis is raised: the synergy happened between activity ingredients and other activity ingredients or their metabolites, and the technical inosculating of molecular imprinted solid phase extraction and UPLC/Q-TOFMS is proposed for the first time. The MIP-UPLC/Q-TOFMS technique will be applied to set up the metabolic information spectrum of representative constituent and the associated complex information spectrum of key biomarkers of DILI. The information of information spectrums can be integrated and compared to locate targets components or effective substance group, investigate the interactive relationship of active substance, and clarify the anti-DILI active mechanism.