Metabolomics approach based on ultra-high-performance liquid chromatography coupled with quadrupole-time-of-flight mass spectrometry to identify the chemical constituents of the Traditional Chinese Er-Zhi-Pill
| Autor: | Ruolun Wang, Kangqi Yan, Laiyou Wang, Lian Duan, Yanmei Zhong, Xuerong Xiao, Xunlong Zhong |
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| Rok vydání: | 2016 |
| Předmět: |
Chromatography
010405 organic chemistry Chemistry 010401 analytical chemistry Analytical chemistry Discriminant Analysis Filtration and Separation Decoction Wedelolactone Mass spectrometry 01 natural sciences Mass Spectrometry 0104 chemical sciences Analytical Chemistry chemistry.chemical_compound Metabolomics Chemical constituents Principal component analysis Partial least squares regression Ultra high performance Chromatography High Pressure Liquid Drugs Chinese Herbal |
| Zdroj: | Journal of separation science. 40(13) |
| ISSN: | 1615-9314 |
| Popis: | Er-Zhi-Pill, which consists of Ligustri lucidi fructus and Ecliptae prostratae herba, is a classical traditional Chinese medicinal formulation widely used as a liver-nourishing and kidney-enriching tonic. To identify the bioactive ingredients of Er-Zhi-Pill and characterize the variation of chemical constituents between co-decoction and mix of individually decocted L. lucidi fructus and E. prostratae herba, a novel metabolomics approach based on ultra high performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry in both positive and negative ion modes, was established to comprehensively analyze chemical constituents and probe distinguishable chemical markers. In total, 68 constituents were unambiguously or tentatively identified through alignment of accurate molecular weights within an error margin of 5 ppm, elemental composition and fragmentation characteristics, including eight constituents, which were confirmed by comparing to reference standards. Furthermore, principal component analysis and partial least squares discriminant analysis using Simca-p+ 12.0 software were applied to investigate chemical differences between formulations obtained by co-decoction and a mixture of individual decoctions. Global chemical differences were found in samples of two different decoction methods, and 16 components, including salidroside, specneuzhenide and wedelolactone, contributed most to the observed differences. This study provides a basic chemical profile for the quality control and further mechanism research of Er-Zhi-Pill. |
| Databáze: | OpenAIRE |
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