数字中医药（英文）2024，Vol.7Issue(3)：294-308,15.DOI:10.1016/j.dcmed.2024.12.009
一种整合中药材色谱指纹图谱分析单元的新方法:匹配频率统计矩法
A novel method for integrating chromatographic fingerprint analytical units of Chinese materia medica:the matching frequency statistical moment method
摘要
Abstract
Objective To facilitate the quality evaluation suitable for the unique characteristics of Chinese materia medica(CMM)by developing and implementing a novel approach known as the matching frequency statistical moment(MFSM)method. Methods This study established the MFSM method.To demonstrate its effectiveness,we applied this novel approach to analyze Danxi Granules(丹膝颗粒,DXG)and its constituent herbal materials.To begin with,the ultra-performance liquid chromatography(UPLC)was applied to obtain the chromatographic fingerprints of DXG and its constituent herbal materi-als.Next,the MFSM was leveraged to compress and integrate them into a new fingerprint with fewer analytical units.Then,we characterized the properties and variability of both the original and integrated fingerprints by calculating total quantum statistical moment(TQSM)parameters,information entropy and information amount,along with their relative standard deviation(RSD).Finally,we compared the TQSM parameters,information entropy and infor-mation amount,and their RSD between the traditional and novel fingerprints to validate the new analytical method. Results The chromatographic peaks of DXG and its 12 raw herbal materials were divided and integrated into peak families by the MFSM method.Before integration,the ranges of the peak number,three TQSM parameters,information entropy and information amount for each peak or peak family of UPLC fingerprints of DXG and its 12 raw herbal materials were 95.07-209.73,9 390-183 064 μv·s,5.928-21.33 min,22.62-106.69 min2,4.230-6.539,and 50 530-974 186 μv·s,respectively.After integration,the ranges of these parameters were 10.00-88.00,9 390-183 064 μv·s,5.951-22.02 min,22.27-104.73 min2,2.223-5.277,and 38 159-807 200 μv·s,respectively.Correspondingly,the RSD of all the aforementioned pa-rameters before integration were 2.12%-9.15%,6.04%-49.78%,1.15%-23.10%,3.97%-25.79%,1.49%-19.86%,and 6.64%-51.20%,respectively.However,after integration,they changed to 0.00%,6.04%-49.87%,1.73%-23.02%,3.84%-26.85%,1.17%-16.54%,and 6.40%-48.59%,respectively.The results demonstrated that in the newly integrated fingerprint,the analytical units of constituent herbal materials,information entropy and information amount were significantly reduced(P<0.05),while the TQSM parameters remained unchanged(P>0.05).Additionally,the RSD of the TQSM parameters,information entropy,and information amount didn't show significant difference before and after integration(P>0.05),but the RSD of the number and area of the integrated analytical units significantly decreased(P<0.05). Conclusion The MFSM method could reduce the analytical units of constituent herbal mate-rials while maintain the properties and variability from their original fingerprint.Thus,it could serve as a feasible and reliable tool to reduce difficulties in analyzing multi-compo-nents within CMMs and facilitating the evaluation of their quality.关键词
色谱指纹图谱/分析单元/匹配频数统计矩法/中药/丹膝颗粒/质量评价Key words
Chromatographic fingerprints/Analytical units/Matching frequency statistical moment method/Chinese materia medica/Danxi Granule(丹膝颗粒,DXG)/Quality evaluation引用本文复制引用
李海英,潘雪,王敏存,李文姣,贺鹏,黄胜,贺福元..一种整合中药材色谱指纹图谱分析单元的新方法:匹配频率统计矩法[J].数字中医药（英文）,2024,7(3):294-308,15.基金项目
Natural Science Foundation of Hunan province(2022JJ30453 and 2024JJ6362),and the Key Research and Development Program of Hunan Province(2022SK2014). （2022JJ30453 and 2024JJ6362）
