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Chemomics-based marker compounds mining and mimetic processing for exploring chemical mechanisms in traditional processing of herbal medicines, a continuous study on Rehmanniae Radix
Journal of Chromatography A ( IF 4.1 ) Pub Date : 2017-11-20 , DOI: 10.1016/j.chroma.2017.11.036
Li Zhou , Jin-Di Xu , Shan-Shan Zhou , Hong Shen , Qian Mao , Ming Kong , Ye-Ting Zou , Ya-Yun Xu , Jun Xu , Song-Lin Li

Exploring processing chemistry, in particular the chemical transformation mechanisms involved, is a key step to elucidate the scientific basis in traditional processing of herbal medicines. Previously, taking Rehmanniae Radix (RR) as a case study, the holistic chemome (secondary metabolome and glycome) difference between raw and processed RR was revealed by integrating hyphenated chromatographic techniques-based targeted glycomics and untargeted metabolomics. Nevertheless, the complex chemical transformation mechanisms underpinning the holistic chemome variation in RR processing remain to be extensively clarified. As a continuous study, here a novel strategy by combining chemomics-based marker compounds mining and mimetic processing is proposed for further exploring the chemical mechanisms involved in herbal processing. First, the differential marker compounds between raw and processed herbs were rapidly discovered by untargeted chemomics-based mining approach through multivariate statistical analysis of the chemome data obtained by integrated metabolomics and glycomics analysis. Second, the marker compounds were mimetically processed under the simulated physicochemical conditions as in the herb processing, and the final reaction products were chemically characterized by targeted chemomics-based mining approach. Third, the main chemical transformation mechanisms involved were clarified by linking up the original marker compounds and their mimetic processing products. Using this strategy, a set of differential marker compounds including saccharides, glycosides and furfurals in raw and processed RR was rapidly found, and the major chemical mechanisms involved in RR processing were elucidated as stepwise transformations of saccharides (polysaccharides, oligosaccharides and monosaccharides) and glycosides (iridoid glycosides and phenethylalcohol glycosides) into furfurals (glycosylated/non-glycosylated hydroxymethylfurfurals) by deglycosylation and/or dehydration. The research deliverables indicated that the proposed strategy could advance the understanding of RR processing chemistry, and therefore may be considered a promising approach for delving into the scientific basis in traditional processing of herbal medicines.



中文翻译:

基于化学成分的标记化合物的挖掘和模拟加工,以探索传统草药加工中的化学机理,对生地黄的连续研究

探索加工化学,特别是涉及的化学转化机制,是阐明传统草药加工的科学基础的关键步骤。以前,以熟地黄(RR)为例,通过结合基于色谱法的靶向糖组学和非靶向代谢组学,揭示了原始和加工后RR的整体化学组(次级代谢组和糖组)差异。尽管如此,支撑RR处理中整体化学组变化的复杂化学转化机制仍有待广泛阐明。作为一项持续的研究,这里提出了一种结合基于化学组学的标记化合物的开采和模拟加工的新策略,以进一步探索涉及草药加工的化学机理。第一的,通过基于代谢组学和糖组学综合分析获得的化学组数据的多变量统计分析,通过基于化学组学的非靶向采矿方法,迅速发现了原料药和加工草药之间的差异标记物。其次,在模拟的理化条件下,像在草药加工中一样,对标记化合物进行了模拟处理,并通过基于靶向化学组学的采矿方法对最终反应产物进行了化学表征。第三,通过链接原始标记化合物及其模拟加工产物来阐明涉及的主要化学转化机理。使用此策略,可以快速找到一组原始和加工后的RR中的差异标记化合物,包括糖类,糖苷和糠醛,阐明了RR加工中涉及的主要化学机理,是通过糖基化和/或脱水将糖类(多糖,寡糖和单糖)和糖苷(类胡萝卜素糖苷和苯乙基醇糖苷)逐步转化为糠醛(糖基化/非糖基化羟甲基糠醛)。研究成果表明,提出的策略可以增进对RR加工化学的理解,因此可以被认为是研究传统草药加工的科学基础的有前途的方法。寡糖和单糖)和糖苷(类固醇糖苷和苯乙醇醇糖苷)通过去糖基化和/或脱水作用形成糠醛(糖基化/非糖基化羟甲基糠醛)。研究成果表明,提出的策略可以增进对RR加工化学的理解,因此可以被认为是研究传统草药加工的科学基础的有前途的方法。寡糖和单糖)和糖苷(类固醇糖苷和苯乙醇醇糖苷)通过去糖基化和/或脱水作用形成糠醛(糖基化/非糖基化羟甲基糠醛)。研究成果表明,提出的策略可以增进对RR加工化学的理解,因此可以被认为是研究传统草药加工的科学基础的有前途的方法。

更新日期:2017-11-20
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