高純度液体クロマトグラフィーフィンガープリントと化学パターン認識法を組み合わせたAster tataricus L.f.煎じ薬とその処方顆粒の相関と差異の評価

The objective was to analyze the consistency of Aster tataricus L. f. decoction and its formula granule using fingerprint similarity, quantitative multi-component analysis, and chemical pattern recognition. A. tataricus L. f. decoction and its formula granule were prepared. Similarity evaluation, cluster analysis, principal component analysis (PCA), and orthogonal partial least squares discriminant analysis (OPLS-DA) were performed to evaluate the consistency of the chemical composition of A. tataricus L. f. decoction and its formula granule. OPLS-DA was used to screen key compounds. A total of nine key shared peaks were obtained from the fingerprint profile analysis. The fingerprint similarity of A. tataricus L. f. decoction and its formula granule ranged from 0.906 to 0.995. Cluster analysis suggested a similarity in the chemical composition of A. tataricus L. f. decoction and its formula granule. The common contribution of PC1 and PC2 was 58.1%. OPLS-DA analysis resulted in a R2X, R2Y, and Q2Y of 0.711, 0.35, and 0.168, respectively. The OPLS-DA method proposed neochlorogenic acid (Peak 1) and chlorogenic acid (Peak 4) as the key compounds. The method, which incorporates high-performance liquid chromatography fingerprinting and multi-component chemical pattern recognition techniques, demonstrated the consistency of A. tataricus L. f. formula granule with the decoction.