Dose-dependent targeted knockout methodology combined with deep structure elucidation strategies for Chinese licorice chemical profiling
Dose-dependent targeted knockout methodology combined with deep structure elucidation strategies for Chinese licorice chemical profiling
复制标题
剂量依赖性靶向敲除方法结合深层结构解析策略用于中国甘草化学分析
DOI：
10.1016/j.jpba.2015.06.020
复制
发表时间：
2015-11-10
影响因子：
3.4
通讯作者：
Shan, Lihua
中科院分区：
文献类型：
--
作者：
Jiang, Zhenzuo;Wang, Yuefei;Shan, Lihua
关于中草药化学图谱的限制之一是低水平的化合物被高水平的结构所掩盖。在这里，我们建立了一种新的方法学，基于剂量依赖的靶向敲除(DDTK)技术和深层结构阐明策略，允许中国甘草的化学图谱。我们使用超高效液相色谱与四极杆飞行时间质谱仪(UPLC-Q/TOF MS)结合DDTK技术对不同浓度样品中的化合物进行了鉴定，发现在低浓度样品中很容易检测到高或中等水平的化合物；随后，通过在分析过程中基于心脏切割法在低浓度样品中剔除检测到的高水平成分，在高浓度样品中识别出次要或痕量成分。在检测到的232个化合物中，明确鉴定了27个化合物，初步鉴定了165个化合物，其中包括29个新化合物和2个新天然产物。这项工作中建立的新方法为进一步从复杂混合物中鉴定化合物铺平了道路，特别是中药。(C)2015爱思唯尔B.V.保留所有权利。
One of the limitations with regards to the chemical profiling of Chinese herbs is that low-level compounds are masked by high-level structures. Here, we established a novel methodology based on a dose-dependent targeted knockout (DDTK) technique combined with deep structure elucidation strategies to allow the chemical profiling of Chinese licorice. We employed ultra-performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry (UPLC-Q/TOF MS) incorporated with the DDTK technique to identify the compounds in different concentration samples and found that the compounds at the high- or medium-level were detected readily in the sample at a low concentration; subsequently, minor or trace-level constituents were identified in the sample at a high concentration by rejecting high-level constituents detected in the sample at a low concentration based on a heart-cutting technique during analysis. In this study, among the 232 compounds detected, 27 compounds were unequivocally identified and 165 compounds, including 29 new compounds and two new natural products, were tentatively characterized. The novel methodology established in this work paves the way the further identification of compounds from complicated mixtures, especially traditional Chinese medicines. (C) 2015 Elsevier B.V. All rights reserved.