Chemome profiling of Citri Reticulatae Pericarpium using UHPLC-IT-TOF-MS / 中国中药杂志

Citri Reticulatae Pericarpium(CRP, Chinese name: Chenpi) is one of the most famous edible traditional Chinese medicines(TCMs). CRP was first recorded as top grade TCM in Shennong Bencao Jing attributing to the benefits such as regulating Qi, tonifying spleen, eliminating dampness and eliminating phlegm, and has been widely utilized for the treatments of abdominal fullness and distention, vomiting and diarrhea, as well as phlegm cough. CRP is also widely popular as spice in food industry. Because of the wide cultivation, a number of brands that exhibit extensive price range can be found in the market, resulting in a great challenge for grading. Herein, an attempt was made to in-depth chemome profiling for the sake of providing meaningful information of the universal quality control of CRP. A new core-shell column packed with adamantylethyl substituted silica gel particles was deployed for chromatographic separations and IT-TOF-MS that is advantageous at providing abundant high resolution molecular and fragment ions was employed for qualitative detection. A total of 62 components were observed and 61 ones were structurally annotated according to proposing mass fragmentation patterns, matching with reference compounds and relevant databases, and the chemical families included flavone, limonin, etc. In particular, ten compounds bearing 3-hydroxy-3-methylglutarate substitute were detected from CRP for the first time. Above all, the chemical profile of CRP was characterized and the findings are meaningful for the in-depth quality assessment and efficacy material clarification of CRP.

Acute toxicity of total polymethoxyflavones from Bauhinia championii in mice and its effects on gastric ulcer / 中草药

Objective To study the acute toxicity of total polymethoxyflavones from Bauhinia championii (PMFBC) in mice and its effect on experimental gastric ulcer. Methods The acute toxicity of PMFBC was investigated by Bliss method. Three kinds of gastric ulcer model including indomethacin, ethanol, and water immersion-restraint stress were used to observe the effect of PMFBC in mice. Results The LD50 value of ig administration PMFBC on mice was 1 252.319 mg/kg, which showed acute toxicity; PMFBC had protective effect on three gastric ulcer models, which could significantly reduce the ulcer area of the mice, and had a high inhibition rate. Conclusion PMFBC has obvious inhibition effect on the fomation of gastric ulcer in mice, which can be safty used in a certain dose range.

Study on chemical constituents from Xiaoer Fupi Granules based on UPLC-LTQ-Orbitrap-MS / 中草药

Objective To clarify the chemical constituents from Xiaoer Fupi Granules and establish an effective identification method for the complex composition of Chinese material medica. Methods UPLC-LTQ-Orbitrap-MS was used to analyze the chemical constituents of Xiaoer Fupi Granules. The analysis was performed on Waters HSS T3-C18 (100 mm × 2.1 mm, 1.8 μm). The mobile phase consisted of 0.1% ammonium formate (A)-acetonitrile (B), which was used for gradient elution, with the flow rate of 0.3 mL/min. This objective was achieved mainly depending on the information of the accurate mass and the multistage fragment ions obtained by UPLC-LTQ-Orbitrap-MS, comparing the mass spectrometric data of the standard substance and consulting the reference literatures. Results A total of 84 compounds were identified in this study, including the flavones, glycosidics, phenoliacids, and its esters, and so on, which were attributed the herbs source of each compound. Meanwhile, an effective and quickly identification method for the glycosides, flavonoids, and polyoxyflavonoids were established based on the law of multistage mass spectrometry. Conclusion The comprehensive chemical constituents analysis of Xiaoer Fupi Granules will provide the scientific theory basis for the pharmacodyamic material basis and the quality control of this drug.

Complete ¹H and 13C NMR assignments and anti fungal activity of two 8-hydroxy flavonoids in mixture

A mixture of the two new flavonols 8-hydroxy-3, 4', 5, 6, 7-pentamethoxyflavone (1) and 8-hydroxy-3, 3', 4', 5, 6, 7-hexamethoxyflavone (2) was isolated from a commercial sample of Citrus aurantifolia. An array of one- (¹HNMR, {¹H}-13C NMR, and APT-13C NMR) and two-dimensional NMR techniques (COSY, NOESY, HMQC and HMBC) was used to achieve the structural elucidation and the complete ¹H and 13C chemical shift assignments of these natural compounds. In addition, the antifungal activity of these compounds against phytopathogenic and human pathogenic fungi was investigated.

Os flavonóis 8-hidroxi-3, 4', 5, 6, 7-pentametoxiflavona (1) e 8-hidroxi-3, 3', 4', 5, 6, 7-hexametoxiflavona (2) foram isolados em mistura a partir de uma amostra comercial de Citrus aurantifolia. A determinação estrutural e a inequívoca atribuição dos sinais de deslocamento químico dos átomos de hidrogênio e carbono destes compostos naturais foram realizadas através da análise dos espectros de RMN 1D e 2D, incluindo COSY, NOESY, HMQC e HMBC. Em adição, a atividade antifúngica destes compostos contra fungos patogênicos também foiinvestigada.