基于UPLC-QTOF-MS解析苦荞黄酮组成及药理学网络分析

Analysis for Flavonoid Composition and Network Pharmacology ofTartary Buckwheat Based on UPLC-QTOF-MS

为优化苦荞黄酮提取工艺并明确其具体成分结构和含量及药理作用,本研究以四川省凉山彝族自治州甘洛县优质苦荞为研究对象,对超声提取苦荞黄酮工艺进行了优化,采用超高效液相色谱-四级杆-飞行时间质谱(UPLC-QTOF-MS)对主要黄酮成分进行结构鉴定,并采用超高效液相色谱-三重四级杆质谱联用仪对鉴定到的黄酮进行准确定量,同时利用中药系统药理学(TCMSP)系统分析其网络药理学特性。结果表明,超声辅助乙醇提取苦荞黄酮的最优条件为乙醇浓度90%(V/V)、超声功率140 W、超声温度70℃、超声时间60 min、提取溶剂与苦荞原料比50∶1(mL·g^(-1)),该条件下,提取液中共鉴定到黄酮16种,其中芦丁、表儿茶素和儿茶素含量分别达到115.81、72.99和23.08μg·mL^(-1)。这16种黄酮在防治心血管疾病、慢性炎症性疾病上具有重要作用。本研究可为苦荞精深加工综合利用尤其是功能性苦荞产品开发利用奠定基础。

In order to optimize the extraction process of Tartary buckwheat flavonoids and determine its specific composition,content,and pharmacological effects,this study focused on high-quality Tartary buckwheat from Ganluo Country,Liangshan Yi Autonomous Prefecture,Sichuan Province.The extraction process of Tartary buckwheat flavonoids was optimized using ultrasonic technology.Then its main flavonoids were identified and accurately quantified using UPLC-QTOF-MS and UPLC-QqQ-MS/MS,respectively.Meanwhile,the pharmacological prediction analysis of active flavonoids was carried out by Traditional Chinese Medicine Systems Pharmacology(TCMSP).The experiments revealed the optimal conditions for flavonoids from Tartary buckwheat using ultrasonically assisted ethanol as follows:90%(V/V)ethanol concentration,140 W ultrasound power,70℃extraction temperature,60 minutes extraction time,and a 50∶1(mL·g^(-1))ratio of extraction solvent to Tartary buckwheat raw material.A total of 16 flavonoids were identified in the extraction solution,and the contents of rutin,epicatechin,and catechin reached 115.81,72.99 and 23.08μg·mL^(-1),respectively.These 16 flavonoids play an important role in preventing and treating cardiovascular diseases and chronic inflammatory diseases.This study can lay a foundation for the comprehensive utilization of Tartary buckwheat deep processing,especially for the development and utilization of functional Tartary buckwheat products.