Article(id=1236678238441885818, tenantId=1146029695717560320, journalId=1235980733773295621, issueId=1236678235866583092, articleNumber=null, orderNo=null, doi=null, pmid=null, cstr=null, oa=null, hot=null, price=null, onlineType=0, articleFormat=0, articleType=null, articleTypeStr=null, receivedDate=null, receivedDateStr=null, revisedDate=null, revisedDateStr=null, acceptedDate=1663689600000, acceptedDateStr=2022-09-21, onlineDate=1772776668415, onlineDateStr=2026-03-06, pubDate=1688054400000, pubDateStr=2023-06-30, doiRegisterDate=null, doiRegisterDateStr=null, onlineIssueDate=1772776668415, onlineIssueDateStr=2026-03-06, onlineJustAcceptDate=null, onlineJustAcceptDateStr=null, onlineFirstDate=null, onlineFirstDateStr=null, sourceXml=null, magXml=null, createTime=1772776668415, creator=13701087609, updateTime=1772776668415, updator=13701087609, issue=Issue{id=1236678235866583092, tenantId=1146029695717560320, journalId=1235980733773295621, year='2023', volume='32', issue='12', pageStart='1177', pageEnd='1280', issueExtLink='null', onlineDate='null', pubDate='null', beforeIssueId=null, nextIssueId=null, price=null, status=1, issueComplete=1, articleOrder=1, issueType=-1, specialIssue=null, createTime=1772776667801, creator=13701087609, updateTime=1772776891082, updator=13701087609, preIssue=null, nextIssue=null, ext={EN=IssueExt(id=1236679172442092503, tenantId=1146029695717560320, journalId=1235980733773295621, issueId=1236678235866583092, language=EN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=), CN=IssueExt(id=1236679172442092504, tenantId=1146029695717560320, journalId=1235980733773295621, issueId=1236678235866583092, language=CN, specialIssueTitle=, coverIllustrator=null, specialIssueEditor=, specialIssueAbout=)}, issueFiles=null}, startPage=1259, endPage=1268, ext={EN=ArticleExt(id=1236678238693544068, articleId=1236678238441885818, tenantId=1146029695717560320, journalId=1235980733773295621, language=EN, title=Study on differential components of Ge-Gen Decoction compound granules, kampo granules and Ge-Gen Decoction formula granules based on UHPLC-Q-TOF-MS, columnId=null, journalTitle=Chinese Journal of New Drugs, columnName=null, runingTitle=null, highlight=null, articleAbstract=
Objective: To illustrate the overall differential material basis of three kinds of Ge-Gen Decoction (GGD) granules including Ge-Gen Decoction compound granules (CG), formula granules (mixed, FGm; decocted, FGd) and Kampo granules (KG) using UHPLC-Q-TOF-MS combining with multivariate statistical methods.
Methods: AcclaimTM RSLC120 C18 chromatographic column (100 mm×2.1 mm, 2.2 μm) was employed to separate chemical compositions and gradient elution was performed with 0.1% formic acid-acetonitrile as mobile phase. ESI ion source was used to collect data in positive and negative ion modes respectively. The data were imported into SIMCA-P software for principal component analysis (PCA) and orthogonal partial least squares discriminant analysis (OPLS-DA). Student's t-text was utilized to measure the significance values of each metabolite. The m/z of differential components were filtered according to P<0.05, VIP>3. Then, HMDB, PubChem, TCMSP, MassBank database, MS/MS ion fragments, and related references were utilized to analyze qualitatively the differential components. Finally, combining with semi-quantitative data, a comprehensive characterization for the differential components of the three GGD granules was described.
Results: There were 40 differential components between CG and KG, and the contents of most chemical components were higher in CG at the same dose. A total of 49 differential components were identified between CG and FGm. Some of the main active components such as puerarin and ephedrine had higher contents in CG. There were 45 differential components between FGm and FGd and there was no new component detected. The contents of most components increased after decocting. However, some important components in Paeoniae Radix Alba formula granules decreased. Fifty-nine differential components were detected totally in three kinds of Ge-Gen Decoction, and they mainly varied in the relative content, not the types. Puerariae Radix had the largest number of differential components.
Conclusion: UHPLC-Q-TOF-MS method can rapidly identify different components of three Ge-Gen Decoction granules, providing data support for the preparation process of Ge-Gen Decoction granules and laying a foundation for the quality control and clinical application of formula granules.
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目的： 利用UHPLC-Q-TOF-MS技术结合多元统计方法分析葛根汤中药复方颗粒、配方颗粒（混冲，煎煮）和汉方颗粒的整体差异化学成分并进行半定量分析和成分归属，阐明3种葛根汤颗粒差异的物质基础。
方法： 使用AcclaimTM RSLC 120 C18（100 mm×2.1 mm，2.2 μm）色谱柱，以0.1%甲酸-乙腈为流动相，梯度洗脱，在正、负离子模式下采集数据。首先，结合SIMCA-P 14.0软件对预处理的质谱数据进行主成分分析（PCA）和正交偏最小二乘法判别分析（OPLS-DA），根据t检验和VIP值（P<0.05，VIP>3）筛选差异化学成分的质荷比；然后，通过质荷比在HMDB，PubChem，TCMSP，MassBank等数据库对差异成分进行初筛，根据二级碎片离子及相关参考文献对差异成分定性鉴别；最后，结合半定量数据实现对3种葛根汤颗粒差异成分的全面表征。
结果： 汉方颗粒与中药复方颗粒有40个差异成分，同剂量下，多数差异成分在中药复方颗粒中的含量高于汉方颗粒；配方颗粒（混冲）与中药复方颗粒共鉴定差异成分49个，且多数成分在配方颗粒中含量较高，但一些指标性成分（葛根素、麻黄碱等）在中药复方颗粒中含量较高；配方颗粒混冲和煎煮后进行比较，共鉴定差异成分45个，煎煮后多数成分含量有所升高，但白芍配方颗粒中的主要成分含量有所降低。3种葛根汤颗粒共鉴定差异成分59个，差异成分主要是相对含量上的区别，而非化合物种类的不同，且以君药葛根中差异成分最多。
结论： 该方法可快速全面识别3种葛根汤颗粒的差异成分，为葛根汤颗粒的生产工艺优化以及配方颗粒的质量规范和临床使用提供数据支撑。
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张金英，女，硕士研究生，主要从事中药药效物质基础研究。E-mail: zhang149162@163.com。
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