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基于量化“数字身份”和 UHPLC-QTOF-MS 分析的 和 的鉴定分析。

Identification Analysis of and Based on Quantized "Digital Identity" and UHPLC-QTOF-MS Analysis.

机构信息

Institute for Control of Traditional Chinese Medicine and Ethnic Medicine, National Institutes for Food and Drug Control, Beijing 102629, P. R. China.

出版信息

J Am Soc Mass Spectrom. 2024 Sep 4;35(9):2222-2229. doi: 10.1021/jasms.4c00254. Epub 2024 Aug 2.

Abstract

(ASR) and (APR), as traditional herbal medicines, are often confused and doped in the material market. However, the traditional identification method is to characterize the whole herb with a single or a few components, which do not have representation and cannot realize the effective utilization of unknown components. Consequently, the result is not convincing. In addition, the whole process is time-consuming and labor-intensive. To avoid the confusion and adulteration of ASR and APR as well as to strengthen quality control and improve identification efficiency, in this study, a UHPLC-QTOF-MS method was used to analyze ASR and APR. Based on digital representation, the shared data with high ionic strength were extracted from different batches of the same herbal medicine as their "digital identity". Further, the above "digital identity" was used as the benchmark for matching and identifying unknown samples to feedback on matching credibility (MC). The results showed that based on the "digital identities" of ASR and APR, the digital identification of two herbal samples can be realized efficiently and accurately at the individual level. And the matching credibility (MC) was higher than 94.00%, even if only 1% of APR or ASR in the mixed samples can still be identified efficiently and accurately. The study is of great practical significance for improving the efficiency of the identification of ASR and APR, cracking down on adulterated and counterfeit drugs, and strengthening the quality control of ASR and APR. In addition, it has important reference significance for developing nontargeted digital identification of herbal medicines at the individual level based on UHPLC-QTOF-MS and "digital identity", which is beneficial to the construction of digital Chinese medicine and digital quality control.

摘要

(ASR)和(APR)作为传统草药,在药材市场上常被混淆和掺杂。然而,传统的鉴别方法是用单一或少数几个成分来表征全草,这没有代表性,也不能实现未知成分的有效利用。因此,结果并不令人信服。此外,整个过程既费时又费力。为了避免 ASR 和 APR 的混淆和掺假,加强质量控制,提高鉴别效率,本研究采用 UHPLC-QTOF-MS 法分析 ASR 和 APR。基于数字表示,从同一草药的不同批次中提取具有高离子强度的共享数据作为它们的“数字身份”。进一步,将上述“数字身份”用作匹配和识别未知样品的基准,以反馈匹配可信度(MC)。结果表明,基于 ASR 和 APR 的“数字身份”,可以在个体水平上高效、准确地实现两个草药样品的数字识别,匹配可信度(MC)高于 94.00%,即使混合样品中只有 1%的 APR 或 ASR 也能高效、准确地识别。本研究对提高 ASR 和 APR 的鉴别效率、打击掺假和假冒药品、加强 ASR 和 APR 的质量控制具有重要的现实意义。此外,它对基于 UHPLC-QTOF-MS 和“数字身份”开发个体水平的非靶向性草药数字鉴别具有重要的参考意义,有利于中药数字化和数字质量控制的构建。

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