基于UPLC-Q-Orbitrap HRMS技术的炒山楂、焦山楂小鼠血清药物化学比较研究  

Comparative Study of Rat Serum Pharmacochemistry between Fried Crateagus and Charred Crateagus based on UPLC-Q-Orbitrap HRMS

作　　者：谢康为 席家庄 邓放[3] 谢铌奇 胡铁弋 杨璐嘉 XIE Kangwei;XI Jiazhuang;DENG Fang;XIE Niqi;HU Tieyi;YANG Lujia(College of Pharmacy,Chengdu University,Chengdu 610106,Sichuan,China;Chongqing Dazu District People′s Hospital,Chongqing 402360,China;College of Pharmacy,Chengdu University of TCM,Chengdu 611137,Sichuan,China)

机构地区：[1]成都大学药学院,四川成都610106 [2]重庆市大足区人民医院,重庆402360 [3]成都中医药大学药学院,四川成都611137

出　　处：《系统医学》2024年第21期1-8,12,共9页Systems Medicine

基　　金：重庆市大足区科技局科卫联合医学科研项目(DZKJ2023JSYJ-KWXM1001)。

摘　　要：目的 利用超高效液相色谱-四极杆-静电场轨道阱高分辨质谱(UPLC-Q-Orbitrap HRMS)分析技术,鉴定炒山楂、焦山楂组小鼠血清中药物化学的差异。方法 选取2023年12月—2024年2月成都中医药大学药学院共9只KM小鼠作为研究对象,根据随机数字表法分为空白组(n=3),炒山楂组(n=3),焦山楂组(n=3),其中炒山楂组、焦山楂组分别给予3 g/kg的炒山楂、焦山楂浸膏水溶液灌胃。使用Thermo Scientific AccucoreTM C18色谱柱,以0.1%甲酸水溶液(A)和0.1%甲酸乙腈溶液(B)作为流动相,梯度洗脱;质谱采用ESI源,+/-离子模式扫描,扫描模式为Full MS/dd-MS2。利用Compound Discoverer 3.3软件分析数据,根据一级质谱质荷比、二级质谱碎片等信息,鉴定样品化学成分,以及血清中的化学成分;同时利用SIMCA14.1,通过主成分分析法(principal component analysis, PCA)、正交偏最小二乘判别分析法(orthogonal partial least-squares discrimination analysis, OPLS-DA)进行模式识别筛选出其中差异性化学成分,结合统计学知识分析出炒山楂、焦山楂入血后的血液中相关化合物的变化差异。结果 经过对药品醇提物中化学成分的筛选,结合相关文献,在炒山楂、焦山楂中分别鉴定出了34、45个化学成分,包括有机酸类、氨基酸类、三萜类、酰胺类、黄酮类、苯丙素类、及其他类成分等。此外,通过SIMCA软件统计分析,在两组小鼠血清中共鉴定出14个显著差异性成分。结论 炒山楂、焦山楂中化学成分、对应含量差异,可能是两种炮制品功效差异性的影响因素之一。不同给药组小鼠的血清中鉴别出的差异性化学成分,为揭示两种炮制品功效性差异提供了参考依据。Objective Ultra performance liquid chromatography-quadrupole-electrostatic field orbitrap high resolution mass spectrometry(UPLC-Q-Orbitrap HRMS)analytical technique was used to identify the differences in the medicinal chemistry in the serum of mice in the fried crateagus and charred crateagus groups.Methods A total of nine KM mice were selected as study subjects from December 2023 to February 2024 in the School of Pharmacy,Chengdu University of Traditional Chinese Medicine,and were divided into blank group(n=3),fried crateagus group(n=3),and charred crateagus group (n=3) according to the method of random number table, of which the fried crateagus and charred crateagus groups were given aqueous solution of fried crateagus and charred crateagus extracts of 3 g/kg by gavage, respectively. The chromatographic column was Thermo Scientific AccucoreTM C18 with 0.1% formic acid-water (A) and 0.1% formic acid-acetonitrile (B) as mobile phases with gradient elution;the mass spectrometry was performed with an ESI source, +/- ion mode scanning, and the scanning mode was Full MS/dd-MS.2 The data were analysed by using Compound Discoverer 3.3 software. Compound Discoverer 3.3 software was used to analyse the data and identify the chemical composition of the samples, as well as those in the serum, based on the information of mass-to charge ratio of the primary mass spectrum and fragmentation of the secondary mass spectrum. Utilizing SIMCA14.1, we conducted a screening of the differential chemical components through principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA) for pattern recognition. Subsequently, we examined the variations in the relevant compounds in the blood following the introduction of fried Crate Cragus and charred Crate Cragus, integrating statistical knowledge to analyze the changes. Results After screening the chemical components in the alcohol extracts of the drugs and combining with related literature, thirty-six and forty-five chemical components were ide

关 键 词：山楂 炮制 血清药物化学 超高效液相色谱-四极杆-静电场轨道阱高分辨质谱 

分 类 号：R284[医药卫生—中药学]