Comparison of Chemical Constituents in Pseudostellariae Radix with Different Dosage Forms Based on HPLC-Q-Exactive Orbitrap/MS Combined with Multivariate Statistical Analysis

Abstract

Background. Pseudostellariae Radix (PR) is an important traditional Chinese herbal medicine with vast clinical consumptions, which has two different dosage forms, PR decoction pieces and PR formula granules. However, these two forms are bound to have an impact on the accumulation of the effective components in PR, so the effectiveness of clinical use cannot be guaranteed. Objective. To determine the effective composition of PR. Methods. In this research, PR decoction pieces and formula granules were collected, and their composition was detected by HPLC-Q-Exactive Orbitrap/MS; multivariate statistical analysis was used to distinguish differential metabolites between PR decoction pieces and formula granules. Results. A clear cut difference in the composition of the two groups was observed. 98 differential chemical constituents could be identified in the positive mode, while 52 differential chemical compositions could be identified in the negative mode. The differential chemical compositions were mainly concentrated in flavonoids, organic acids, fatty acids, and amino acids and present different change rules, mainly involved in the isoquinoline alkaloid biosynthesis metabolic pathways. Conclusions. This study provides basic information to reveal the influence law of different dosage forms on the metabolite synthesis and quality formation mechanism of PR.

Comparative chemical characters of Pseudostellaria heterophylla from geographical origins of China

“… No. RT (min) Chemical formula Adduct Measured ( m / z ) Ppm Fragment ion ( m / z ) Compounds References 1 4.55 C 12 H 22 O 11 [M + H] + 342.1415 −2.38 99.0557, 146.0446, 163.0711, 181.0859 Sucrose Hou et al, 2015b 2 4.62 C 6 H 11 NO 3 [M + H] + 145.0307 −4.09 100.0396, 118.0517, 128.0342 Isobutyrylglycine Hou et al, 2015b 3 4.35 C 10 H 10 O 4 [M + H] + 194.0805 −0.56 65.0393, 92.0523, 105.0451, 117.0449, 149.0706, 195.0916 Ferulic acid Hua et al, 2020 4 3.72 C 45 H 67 N 9 O 9 [M + H] + 877.2350 0.59 252.1336, 365.2177, 618.3594, 765.4281 Pseudostellarin E Hou et al, 2015b 5 7.12 C 33 H 46 N 8 O 8 [M + H] + 682.3442 0.49 302.1492, 342.1803, 399.2027, 513.2453, 570.2659 Pseudostellarin B Hou et al, 2014 6 4.10 C 40 H 52 O 2 [M + H] ...…”

Comprehensive metabolomics analysis of key taste components in different varieties of table grapes

“…PCA was used to reduce the dimensions of the problems of multivariate analysis. After Vilfredo Pareto with mean centering, the data were shown as scores in a coordinate system of latent variables [23]. However, PCA is an unsupervised form of analysis that cannot determine intra‐group and random errors irrelevant to the research purpose.…”

Integrated metabolome and transcriptome analyses provide insight into the effect of red and blue LEDs on the quality of sweet potato leaves

“…The data were generated using the R package MetaboAnalyst , log2-transformed (log 2 ), and mean-centered before OPLS-DA. To avoid overfitting, a permutation test (200 permutations) was performed on the data ( Hua et al., 2021 ; Xu et al., 2022 ). For the Kyoto Encyclopedia of Genes and Genomes (KEGG) annotation, the detected metabolites were annotated using the KEGG compound database ( http://kegg.jp/kegg/compound/ ) and subsequently mapped to the KEGG pathway database ( http://kegg.jp/kegg/pathway.html ).…”