Ephedrine Hydrochloride

Plant leaves contain natural products that may have nutritional and medicinal values. In this work, a modified ambient ion source of angled direct analysis in real time (aDART) and high-resolution mass spectrometry (HRMS) was used for direct surface analysis of different plant leaves. Untreated leaves, leaves with the wax layer removed, and leaf imprints were all successfully analyzed by aDART-HRMS in min, observing abundant natural product information including esters, amino acids, saccharides, flavonoids, alkaloids, alcohols, and ketones/aldehydes. Different plant samples have their unique features. Fresh leaves facilitate instant analysis without sample preparation, dewaxed leaves can help expose chemicals concealed by the epidermis, and the leaf imprints can better reveal substances inside the leaf tissues. Traditional leaf extracts were compared and analyzed using DART-HRMS, and it was shown that more compounds were discovered by surface analysis. aDART-HRMS is capable of obtaining samples' composition directly from plant leaves, without destroying leaf morphology and tedious sample preparation. This modified aDART-MS technology provides a simple and robust ambient ionization method for direct characterization of natural products contained in various plant samples.

Qingfei Paidu granules (QFPDG), derived from four classic traditional Chinese medicine formulas with a centuries-long history of treating respiratory disorders, have shown remarkable clinical efficacy against pneumonia and lung injury, yet their pharmacodynamic components and mechanisms require further elucidation. In this work, UPLC-Q-TOF-MS/MS was used to identify the chemical constituents in QFPDG, drug-containing serum, and lung tissue. Network pharmacology was employed to predict key targets and pathways. The anti-pneumonia efficacy was evaluated via an LPS-induced acute pneumonia mouse model and by measuring cytokine levels in LPS-stimulated RAW264.7 cells. Finally, Molecular docking along with molecular dynamics simulation was conducted to explore the interactions between key compounds and targets. Results showed that 145 compounds were identified in QFPDG solution, 94 in serum, and 83 in lung tissue, with 97 components in serum and lung associated with 350 pneumonia-related targets and crucial pathways. QFPDG alleviated acute lung injury and inflammation in LPS-induced acute pneumonia mice, reducing monocyte, neutrophil, lymphocyte, and leukocyte counts in bronchoalveolar lavage fluid (BALF), as well as decreasing TNF-α and IL-1β levels. Molecular docking and molecular dynamics simulations showed that five key components in QFPDG had strong binding affinities for TNF-α, IL-1β, IL-6 and AKT1 with minimal fluctuations at equilibrium. Binding free energy calculations indicated that the ∆G_bind values ranging from -8.59 to -41.98 kcal/mol, primarily driven by hydrophobic and electrostatic interactions, involving key amino acid residues like Glu93, Tyr97, Tyr119, Gly121, and Tyr151. In summary, QFPDG presents a multi-component, multi-target approach to treating pneumonia, targeting key signaling pathways including PI3K-AKT, MAPK, and TNF. The compound-target interactions clarify its anti-inflammatory and tissue-protective mechanisms, suggesting potential for clinical application and pharmaceutical development.