Objective Based on the supramolecular “imprinting template” theory, this study investigates the autonomous interaction patterns of the component groups in Wuwei Xiaodu Yin (WXY, 五味消毒饮) during the preparation process from crude herbs to reference samples and elucidates the quantitative transfer law of its quality attributes. Methods Fifteen batches of WXY reference samples were prepared via water decoction. A UPLC fingerprint analysis method was established to identify key chromatographic peaks and determine the contents of chlorogenic acid, esculetin, cichoric acid, neochlorogenic acid, cryptochlorogenic acid, isochlorogenic acid A, isochlorogenic acid B, isochlorogenic acid C, glehinnalin, and linarin were determined at 240 nm. Parameters such as transfer rate, extract yield, total statistical moment, and information entropy were calculated for both the herbs and the reference samples. Results The fingerprint similarity of the 15 batches of reference samples was greater than 0.9. Fourteen chromatographic peaks were identified, with 10 characteristic peaks defined. The extract yield ranged from 43.27% to 53.43%. The transfer rates of chlorogenic acid, esculetin, cichoric acid, neochlorogenic acid, cryptochlorogenic acid, isochlorogenic acid A, isochlorogenic acid B, isochlorogenic acid C, glehinnalin, and linarin were 34.25%—42.72%, 51.52%—58.80%, 28.21%—32.04%, 56.26%—65.59%, 40.63%—53.89%, 22.35%—31.29%, 38.39%—46.22%, 34.02%—40.82%, 18.64%—20.96%, and 28.55%—32.63%, respectively, with no discrete data observed. The relative standard deviations (RSDs) of the information entropy for the UPLC fingerprints of the five herbs and the reference samples were all less than 10%. The RSDs of mean chromatographic retention time of total quantum (MCRT_T) and information entropy for WXY (crude herbs) were 3.90% and 2.25%, respectively. Conclusion Quality analysis of the reference samples based on the parameters of the supramolecular “imprinting template” provides a scientific basis for the quality control of WXY reference samples and the development of compound formulations.

classical famous formula  /  Wuwei Xiaodu Yin  /  benchmark substance  /  law of value transfer  /  supramolecular  /  imprinted template  /  quality attribute  /  fingerprint  /  chlorogenic acid  /  aesculetin  /  cichoric acid  /  neochlorogenic acid  /  cryptchlorogenic acid  /  isochlorogenic acid A  /  isochlorogenic acid B  /  isochlorogenic acid C  /  glifonlactone  /  limonide  /  total statistical moment  /  information entropy