Prediction of Q-markers of Citri Reticulatae Pericarpium volatile oil and GC-MS based quantitative analysis / 中国中药杂志

This study was designed to predict the Q-markers of Citri Reticulatae Pericarpium volatile oil and conduct quantitative analysis by GC-MS. The common components of Citri Reticulatae Pericarpium volatile oil were detected by GC-MS. The network pharmacology approaches were utilized for constructing the component-target network and protein-protein interaction(PPI) network, followed by the GO and KEGG pathway enrichment analysis to clarify the pharmacological effects of common components. Molecular docking was conducted to observe the biological activities of common components, thus identifying the Q-markers of Citri Reticulatae Pericarpium volatile oil. The obtained Q-markers were subjected to quantitative analysis by GC-MS. The GC-MS analysis of 19 batches of Citri Reticulatae Pericarpium volatile oil revealed three common components, namely, D-limonene, γ-terpinene, and myrcene. The common components were analyzed based on network pharmacology, and the results showed that Citri Reticulatae Pericarpium volatile oil mainly acted on the core targets GABRA1, GABRA6, GABRA5, GABRA3, and GABRA2 through D-limonene and γ-terpinene, with five important pathways such as nicotine addiction and GABAergic synapse involved. The core targets were mainly distributed in olfactory region, cerebral cortex, cerebellum, basal ganglia, hippocampus, and amygdala to exert the pharmacological effects. As revealed by molecular docking, D-limonene and γ-terpinene exhibited good biological activities, so they were identified as the Q-markers of Citri Reticulatae Pericarpium volatile oil. The results of quantitative analysis showed that the volume fraction of D-limonene was within the range of 0.77-1.03 μL·mL~(-1), and that of γ-terpinene within the range of 0.04-0.13 μL·mL~(-1). The prediction of D-limonene and γ-terpinene as the Q-markers of Citri Reticulatae Pericarpium volatile oil has laid an experimental foundation for the establishment of the quality evaluation standard for Citri Reticulatae Pericarpium volatile oil.

Determination of volatile components in Tibetan medicine Heracleum millefolium by HS-GC-MS / 中草药

Objective: To establish a rapid analytical method for volatile components in Tibetan medicine Heracleum millefolium and to determine the volatile components from its roots, stems, leaves, and flower parts, respectively. Methods: Headspace sampling incorporation with gas-chromatography-mass spectrum (HS-GC-MS) determination was introduced to analyze the powder directly. Static headspace equilibration was performed at 100℃ for 40 min, and 1 mL of the headspace gas was injected in split mode of 10:1. The split inlet temperature was 260℃. The carrier gas was He at a constant flow rate of 1.8 mL/min. The column oven temperature was initially set at 50℃ for 2 min, then increased to 100℃ at 2℃/min, held for 6 min, then increased to 300℃ at 10℃/min and held for 2 min. The GC/MS interface temperature was maintained at 280℃. The solvent delay time was 3 min (to bypass the solvent peak). The volatile components were confirmed by NIST11.L database, and volatile organic compounds from roots, stems, leaves, and flower parts were compared. Results: The types of compounds in the roots, stems, leaves, and flowers of H. millefolium are mainly aldehyde, benzene, alcohols, and alkene. Octanal, hexanal, and γ-terpinene are the main components in the roots and stems. While o-isopropyltoluene and terpinolene are the main components in the leaves and flowers. Conclusion: HS-GC-MS method is easy, simple, and feasible, and can be widely used in other Chinese materia medica samples for analysis of volatile components.