Recognition and Comprehensive Quantitation of Stachydrine Analogues in Leonurus japonicus Based on HILIC-QTOF MS and qHNMR

IF 6.7 1区化学 Q1 CHEMISTRY, ANALYTICAL Analytical Chemistry Pub Date : 2025-01-04 DOI:10.1021/acs.analchem.4c04751

Ke Zhang, Chunwang Meng, Juanru Liu, Lili Zhang, Cheng Peng, Liang Xiong

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Abstract

Quaternary ammonium salts (QAs) are a class of highly active compounds widely used in medicine and agriculture. However, many QAs lack a conjugated system, making their recognition and quantitation challenging. Stachydrine is a representative unconjugated QA with a high content in Leonurus japonicus Houtt. (Lamiaceae) and serves as a quality control compound for the aerial parts of L. japonicus (LJH). Based on previous studies of LJH and biosynthetic principles of plants, we speculated that a series of undiscovered stachydrine analogues (STAs) may be present in LJH. Using HILIC-QTOF MS technology, this study successfully identified other four STAs besides stachydrine. To further determine the content of total STAs, a quantitative ¹H NMR (qHNMR) method was established. Notably, the effects of different concentrations of acids and bases on chemical shifts (δ_H) and the quantitation accuracy of STAs were investigated. Finally, the total STAs in LJH from different origins were quantified by the optimized qHNMR method, and it was found that the content of total STAs in LJH from Zhejiang province was higher than that from other provinces. The comprehensive use of HILIC-QTOF MS and qHNMR in this study provides a reference for the rapid recognition and comprehensive quantitation of unconjugated QAs.

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基于HILIC-QTOF质谱和qHNMR的益母草中水苏碱类似物的识别与综合定量

季铵盐（QAs）是一类广泛用于医药和农业的高活性化合物。然而，许多qa缺乏共轭体系，使得它们的识别和定量具有挑战性。水苏碱是益母草中具有代表性的高含量非偶联QA。（Lamiaceae），并可作为枇杷（L. japonicus， LJH）地上部分的质量控制化合物。基于前人对水仙碱的研究和植物生物合成原理，我们推测水仙碱中可能存在一系列未被发现的水仙碱类似物（STAs）。利用HILIC-QTOF质谱技术，本研究成功鉴定出了除水牛油碱外的其他4种STAs。为了进一步测定总sta的含量，建立了定量1H NMR （qHNMR）方法。值得注意的是，研究了不同浓度的酸和碱对化学位移（δH）和STAs定量精度的影响。最后，利用优化后的qHNMR方法定量分析了不同产地枸杞中总脂肪酸的含量，发现浙江省枸杞中总脂肪酸的含量高于其他省份。本研究中HILIC-QTOF质谱和qHNMR的综合应用为非共轭QAs的快速识别和综合定量提供了参考。

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来源期刊

Analytical Chemistry 化学-分析化学

CiteScore

12.10

自引率

12.20%

发文量

1949

审稿时长

1.4 months

期刊介绍： Analytical Chemistry, a peer-reviewed research journal, focuses on disseminating new and original knowledge across all branches of analytical chemistry. Fundamental articles may explore general principles of chemical measurement science and need not directly address existing or potential analytical methodology. They can be entirely theoretical or report experimental results. Contributions may cover various phases of analytical operations, including sampling, bioanalysis, electrochemistry, mass spectrometry, microscale and nanoscale systems, environmental analysis, separations, spectroscopy, chemical reactions and selectivity, instrumentation, imaging, surface analysis, and data processing. Papers discussing known analytical methods should present a significant, original application of the method, a notable improvement, or results on an important analyte.