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Novelty application of multi-omics correlation in the discrimination of sulfur-fumigation and non-sulfur-fumigation Ophiopogonis Radix

机译:多元组学相关性在硫熏和非硫熏麦田鉴别中的新颖应用

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摘要

A rapid and sensitive approach to differentiate sulfur-fumigated (SF) Ophiopogonis Radix based on Multi-Omics Correlation Analysis (MOCA) strategy was first established. It was characterized by multiple data-acquisition methods (NIR, HPLC, and UHPLC-HRMS) based metabonomics and multivariate statistical analysis methods. As a result, SF and non-sulfur fumigated (NSF) Ophiopogonis Radix samples were efficaciously discriminated. Moreover, based on the acquired HRMS data, 38 sulfur-containing discriminatory markers were eventually characterized, whose NIR absorption could be in close correlation with the discriminatory NIR wavebands (5000–5200 cm−1) screened by NIR metabonomics coupled with SiPLS and 2D-COS methods. This results were also validated from multiple perspectives, including metabonomics analysis based on the discriminatory markers and the simulation of SF ophiopogonin D and Ophiopogonis Radix sample. In conclusion, our results first revealed the intrinsic mechanism of discriminatory NIR wavebands by means of UHPLC-HRMS analysis. Meanwhile, the established MOCA strategy also provided a promising NIR based differential method for SF Ophiopogonis Radix, which could be exemplary for future researches on rapid discrimination of other SF Chinese herbal medicines.
机译:首先建立了一种基于多组相关分析(MOCA)策略的快速灵敏的硫熏烟麦草根鉴别方法。它的特征在于基于代谢组学的多种数据采集方法(NIR,HPLC和UHPLC-HRMS)和多元统计分析方法。结果,有效地区分了SF和非硫熏蒸的麦草根样品。此外,根据获得的HRMS数据,最终鉴定了38个含硫的鉴别标记,其NIR吸收可能与NIR筛选出的鉴别性NIR波段(5000-5200 cm -1 )密切相关。代谢组学与SiPLS和2D-COS方法结合使用。还从多个角度验证了该结果,包括基于区分性标记的代谢组学分析以及对SF麦冬色素D和麦冬样品的模拟。总之,我们的结果首先通过UHPLC-HRMS分析揭示了可辨别NIR波段的内在机理。同时,既定的MOCA策略也为顺丁麦冬的鉴别提供了一种基于NIR的有前途的鉴别方法,可以作为今后对其他SF中草药快速鉴别的研究的范例。

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