基于UHPLC-Q-Orbitrap HRMS鉴定举元煎的化学物质组及小鼠口服后的组织暴露成分

吴柏林; 潘卫星; 李荣胜; 刘伟; 秦路平; 吴建军; 葛广波

doi:10.13748/j.cnki.issn1007-7693.20260099

基于UHPLC-Q-Orbitrap HRMS鉴定举元煎的化学物质组及小鼠口服后的组织暴露成分

Identification of the Chemical Constituents of Juyuan Decoction and Tissue-Exposed Components in Mice after Oral Administration Based on UHPLC-Q-Orbitrap HRMS

摘要

摘要:
目的采用超高效液相色谱-四极杆-静电场轨道阱高分辨质谱(ultra-high performance liquid chromatography-Quadrupole-Orbitrap high-resolution mass spectrometry，UHPLC-Q-Orbitrap HRMS)技术鉴定举元煎的化学物质组及小鼠口服后血清和组织中的暴露成分。
方法取健康雄性C57/BL6J小鼠(n=12)，空白组(n=3)灌胃纯化水，给药组(n=9)按43.2 g·kg⁻¹灌胃举元煎提取液，在0.5 、1.5、3 h收集血清和组织样本，采用蛋白沉淀法前处理。质谱数据采集，通过对照品、文献以及数据库提供的二级质谱裂解碎片信息比对，鉴定举元煎原方的化学物质组及其口服后的入血和组织暴露的原型成分。
结果从举元煎中共鉴定出225种化学成分，包括萜(皂苷)类112种、黄酮类61种、有机酸类27种、生物碱类11种、苯乙醇苷类5种、木脂素4种、香豆素类2种以及其他类3种。小鼠口服举元煎后血清52种、肺10种、心30种、肝54种、脾56种、肾118种及回肠44种原型成分。其中5-O-阿魏酰奎尼酸、新甘草苷、7,4’-二羟基黄酮、芒柄花素、升麻素苷、升麻苷 A、24-表-7,8-二羟基升麻醇-3-O-木糖苷成分在血清和各组织中均有暴露。
结论基于UHPLC-Q-Orbitrap HRMS法快速鉴定了举元煎化学物质组及其入血和组织暴露成分，为后续举元煎的质量标准建立和多成分药动学研究提供了关键物质信息。

Abstract:
OBJECTIVE To identify the chemical composition of Juyuan Decoction and its exposed components in serum and tissues after oral administration in mice using ultra-high performance liquid chromatography-quadrupole-Orbitrap high-resolution mass spectrometry(UHPLC-Q-Orbitrap HRMS).
METHODS Healthy male C57/BL6J mice(n=12) were divided into a blank group(n=3) receiving purified water and an administration group(n=9) receiving Juyuan Decoction extract at 43.2 g·kg⁻¹ by gavage. Serum and tissue samples were collected at 0.5, 1.5, 3 h, followed by protein precipitation for pretreatment. MS data acquisition was performed, and the chemical composition of Juyuan Decoction as well as exposed prototype components entering the blood and tissues after oral administration were identified by comparison with reference standards, literature, and secondary MS fragmentation information from databases.
RESULTS A total of 225 chemical components were identified from Juyuan Decoction, including 112 terpenoids(saponins), 61 flavonoids, 27 organic acids, 11 alkaloids, 5 phenylethanoid glycosides, 4 lignans, 2 coumarins, and 3 others. After oral administration, 52 prototype components were detected in serum, 10 in lung, 30 in heart, 54 in liver, 56 in spleen, 118 in kidney, and 44 in ileum. Among them, 5-O-feruloylquinic acid, neoliquiritin, 7,4’-dihydroxyflavone, formononetin, cimiside, cimiracemoside A, and 24-epi-7,8-dihydroxycimigenol-3-O-xyloside were found in serum and all tissues examined.
CONCLUSION Based on UHPLC-Q-Orbitrap HRMS, the chemical composition of Juyuan Decoction and its blood- and tissue-exposed components were rapidly identified, providing key substance information for subsequent establishment of quality standards and multi-component pharmacokinetic studies of Juyuan Decoction.

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