基于 "数字身份 "和 UHPLC-QTOF-MSE 的白头翁和白头翁的数字鉴定和掺假分析。

IF 2.8 3区 医学 Q2 BIOCHEMICAL RESEARCH METHODS
Xian rui Wang , Jia ting Zhang , Wen guang Jing , Ming hua Li , Xiao han Guo , Xian long Cheng , Feng Wei
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引用次数: 0

摘要

在中药数字化的背景下,为实现对白头翁的快速鉴别和掺假分析,秉承数字化信念,本研究对不同批次的白头翁及其掺假物白头翁(PC)进行了超高效液相色谱-质谱-MSE分析,在数字化转换的基础上,分别提取了不同批次白头翁和PC的共有离子作为其 "离子表征"。然后,筛选出 PR 相对于 PC 的唯一离子数据集和 PC 相对于 PR 的唯一离子数据集,分别作为 PR 和 PC 的 "数字标识"。然后,以上述 PR 和 PC 的 "数字标识 "为基准进行匹配和识别,以反馈匹配可信度(MC)。结果表明,基于 PR 和 PC 的 "数字身份",可以高效、准确地在个体水平上实现两种药材样本的数字识别,MC≥70.00%,即使在混合样本中有 5% 的 PC 仍能被高效、准确地识别。该研究对于提高 PR 和 PC 的鉴别效率、打击掺假和假药、加强 PR 的质量控制具有重要的现实意义。此外,基于超高效液相色谱-QTOF-MSE和 "数字身份",开展中药材个体水平的非靶向数字鉴定也具有重要的参考意义,有利于数字中药和数字质量控制的建设。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Digital identification and adulteration analysis of Pulsatilla Radix and Pulsatilla Cernua based on “digital identity” and UHPLC-QTOF-MSE

Digital identification and adulteration analysis of Pulsatilla Radix and Pulsatilla Cernua based on “digital identity” and UHPLC-QTOF-MSE

Under the background of digitalization of traditional Chinese medicine (TCM), to realize the quick identification and adulteration analysis of Pulsatilla Radix (PR), adhering to digital conviction, this study conducted UHPLC-QTOF-MSE analysis on PR and its adulterant-Pulsatilla Cernua (PC) from different batches and based on digital conversion, the shared ions were extracted from different batches of PR and PC as their “ions representation”, respectively. Further, the data set of unique ions of PR relative to PC and PC relative to PR were screened out as the “digital identities” of PR and PC respectively. Further, above the “digital identities” of PR and PC were used as the benchmarks for matching and identifying to feedback give a matching credibility (MC). The results showed that based on the “digital identities” of PR and PC, the digital identification of two herbal samples can be realized efficiently and accurately at the individual level with the MC≥70.00 %, even if 5 % of PC in the mixed samples can still be identified efficiently and accurately. The study is of great practical significance for improving the identification efficiency of PR and PC, cracking down on adulterated and counterfeit drugs, and strengthening the quality control of PR. In addition, it has important reference significance for developing non-targeted digital identification of herbal medicines at the individual level based on UHPLC-QTOF-MSE and the “digital identity”, which was beneficial to the construction of digital Chinese medicine and digital quality control.

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来源期刊
Journal of Chromatography B
Journal of Chromatography B 医学-分析化学
CiteScore
5.60
自引率
3.30%
发文量
306
审稿时长
44 days
期刊介绍: The Journal of Chromatography B publishes papers on developments in separation science relevant to biology and biomedical research including both fundamental advances and applications. Analytical techniques which may be considered include the various facets of chromatography, electrophoresis and related methods, affinity and immunoaffinity-based methodologies, hyphenated and other multi-dimensional techniques, and microanalytical approaches. The journal also considers articles reporting developments in sample preparation, detection techniques including mass spectrometry, and data handling and analysis. Developments related to preparative separations for the isolation and purification of components of biological systems may be published, including chromatographic and electrophoretic methods, affinity separations, field flow fractionation and other preparative approaches. Applications to the analysis of biological systems and samples will be considered when the analytical science contains a significant element of novelty, e.g. a new approach to the separation of a compound, novel combination of analytical techniques, or significantly improved analytical performance.
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