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| 1 | A New Concept on Quality Marker for Quality Assessment and Process Control of Chinese Medicines显示文摘Chinese medicine(CM) is the most typical conventional therapy compared with any other traditional or alternative medicine systems. The active components of CMs are either primary or secondary metabolites generated by metabolic and biosynthetic enzymes in plants, protecting the plants from environmental stress. The characteristics of these metabolites are diverse, complicated and unique. In this paper, current approaches for quality assessment were extensively reviewed, a new concept of quality marker(Q-marker) was then proposed for CM quality assessment. Additionally, definition of the Q-marker, as well as the relevant methods, were discussed, on the basis of the biosynthetic pathways of secondary metabolites and source of biological active components. Study design of Q-marker is complex system for quality assessment and production process control of CM products with transitivity and traceability. Therefore, the system with characteristics of transmission and traceability is expected to be established for regulation of quality. Upon the concept which the transitivity and traceability in the quality assessment and production process control covered the entire process, such as raw materials, decoction slices, processing, extraction and production can be further enhanced. The transitivity and traceability will inevitably require close attention to 'who, what, where, when, and why' details at each stage of Q-markers of CM production form raw materials to patent product. The establishing quality standards are enablers of many and various transitivity and traceability solutions, not a solution in them. It means that the transitivity and traceability system is readily link between products and across borders in quality. According to the thinking mode and methods of investigation on quality assessment of CM product, we focus on the entire process, in terms of safety and effectiveness and quality control. The standard preparation of CM or CM decoction is not only the basis for study of Q-marker, but also the basis for transmission and traceability of the quality of CM product. | Chang-xiao Liu Yi-yu Cheng De-an Guo Tie-jun Zhang Ya-zhuo Li Wen-bin Hou Lu-qi Huang Hai-yu Xu | 2017 | Chinese Herbal Medicines2017，9，1： | 84 |
| 2 | UPLC-Q-TOF/MS^E方法分析养血清脑颗粒的化学成分显示文摘为系统阐明复方中药养血清脑颗粒的化学组成,本研究采用超高效液相色谱-四级杆-飞行时间/全信息串联质谱(UPLC-ESI-Q-TOF/MS^E)技术,对养血清脑颗粒的化学成分进行分析。通过Q-TOF-MS^E提供化合物的准确相对分子质量、质谱碎片离子信息,与对照品的保留时间和质谱数据比对,结合参考文献,共鉴定出142种成分,主要包括酚酸类、单萜苷类、醌类、生物碱类和苯酞内酯类5类成分,并对各成分的药材来源进行归属。本研究全面、快速、准确地分析了养血清脑颗粒的化学成分,为养血清脑颗粒的药效物质基础和质量控制等研究奠定了基础。 | 杨岱琳 佟玲 李晓稳 李东翔 柳文媛 | 2016 | 药学学报2016，51，5： | 26 |
| 3 | HPLC-QTOF/MS方法分析元胡止痛方的化学成分显示文摘为全面阐明元胡止痛方的化学成分,本研究利用高效液相色谱串联四级杆/飞行时间质谱仪(HPLC-QTOF/MS)对元胡止痛方的化学组成进行分析鉴定。通过QTOF/MS提供化合物的准确分子质量、碎片离子信息,结合参考文献及部分对照品保留时间和质谱数据,共鉴定出元胡止痛方中51个化合物,包括28个生物碱类成分和23个香豆素类成分。本研究快速、准确、系统地分析了元胡止痛方的化学组分,为其质量控制和药效物质研究奠定基础。 | 韩彦琪 许浚 龚苏晓 张铁军 刘昌孝 | 2017 | 药学学报2017，52，1： | 13 |
| 4 | 高速逆流色谱-UPLC-Q-TOF-MS/MS法分离制备延胡索中脱氢紫堇碱和海罂粟碱显示文摘目的采用高速逆流色谱(HSCCC)快速分离延胡索提取物中脱氢紫堇碱和海罂粟碱。方法以氯仿-正丁醇-甲醇-水(4∶1∶2∶5)混合溶剂作为两相溶剂体系,正转,转速为800 r/min,体积流量为10.0 m L/min,洗脱时间30 min;反转,转速为800 r/min,体积流量10.0 m L/min,洗脱时间30 min,检测波长282 nm,1次进样量50 mg;HPLC-UV法分析目标产物纯度;超高效液相色谱串联四级杆飞行时间质谱(UPLC-Q-TOF-MS/MS)法对目标产物进行结构鉴定。结果制备得到7.1 mg和3.4 mg 2种单体,收率分别为81.43%和91.11%,利用HPLC法测得其质量分数分别为98.9%和94.3%;经HPLC、紫外光谱和UPLC-Q-TOF-MS/MS鉴定,分别为脱氢紫堇碱和海罂粟碱。结论该方法快速、简便,可以作为对延胡索中脱氢紫堇碱和海罂粟碱的分离制备方法。 | 张晓峰 张宏 李小云 李琪 | 2016 | 中草药2016，47，24： | 10 |
| 5 | 基于HPLC-Q-TOF-MS研究6种乌头生物碱类成分的裂解途径显示文摘目的研究6种乌头类生物碱(乌头碱、次乌头碱、中乌头碱、苯甲酰乌头原碱、苯甲酰次乌头原碱、苯甲酰中乌头原碱)的质谱裂解途径。方法采用高效液相色谱串联四级杆飞行时间质谱(HPLC-Q-TOF-MS)对该类化合物进行分析。结果在正离子模式下,乌头类生物碱的主要裂解途径是连续丢失CH3OH与H2O。双酯型生物碱也可以在C-8位置断裂,失去CH3COOH分子形成明显的特征碎片离子,从而实现与单酯型生物碱的区分。结论此质谱裂解途径可为乌头类生物碱的结构鉴定提供依据,采用HPLC-Q-TOF-MS技术可以高效地分析中药中乌头类生物碱类化学成分,有利于化合物的分析和鉴定。 | 孙蕾 王少辰 孙明谦 刘建勋 | 2016 | 中草药2016，47，16： | 9 |
| 6 | 高效液相色谱-串联质谱法测定化妆品中9种禁用生物碱显示文摘建立了高效液相色谱-串联质谱(HPLC-MS/MS)法同时测定化妆品中9种禁用生物碱。采用水作为样品分散剂,氨水-甲醇(2∶98,V/V)作为提取剂,使用正己烷除脂,实现一步完成提取与净化;用Poroshell 120 Bonus-RP色谱柱分离,以0.2%甲酸水溶液-乙腈为流动相进行梯度洗脱;在电喷雾正离子模式下,以多反应监测(MRM)模式测定,推测生物碱的质谱碎裂机理。结果表明,9种生物碱在相应的浓度范围内线性关系良好,线性相关系数r^2为0.997 8~0.999 8。方法的检出限和定量限分别为0.03~0.36μg/kg和0.1~1.2μg/kg,3种加标浓度的回收率为85.3%~135.3%,相对标准偏差为1.0%~13.4%。该方法前处理简便高效、测定结果准确、灵敏度高,适用于化妆品中禁用生物碱的检测及化妆品的安全性评价。 | 吕小会 罗辉泰 黄晓兰 张秋炎 朱志鑫 吴惠勤 | 2021 | 质谱学报2021，42，1： | 7 |
| 7 | 骨刺胶囊HPLC指纹图谱显示文摘目的建立骨刺胶囊(昆布、骨碎补、白芍、党参等)指纹图谱,并结合质谱信息鉴定特征峰的化学结构信息。方法骨刺胶囊75%甲醇提取液的分析采用Phenomenex Luna C18柱(4.6 mm×250 mm,5μm);流动相为乙腈-20 mmol/L甲酸铵水溶液体系;体积流量为1.0 m L/min,梯度洗脱;检测波长为254 nm。采用飞行时间质谱(TOFMS)结合离子阱多级质谱(Ion-trap/MSn),鉴定骨刺胶囊指纹图谱中特征峰的结构,正、负两种离子模式扫描。结果骨刺胶囊HPLC-MS指认21个共有峰,表征昆布、白芍、杜仲、党参、马钱子、鸡血藤、骨碎补、延胡索和桂枝等9味药材的特征成分。以绿原酸为参照物峰,12批样品的相似度在0.821~0.945之间。结论该方法显示,骨刺胶囊主要化学成分相似,质量较稳定。 | 汪艳平 戴德雄 谢媛媛 王义明 李嬛 罗国安 | 2016 | 中成药2016，38，1： | 7 |
| 8 | 注射剂中致敏成分分析方法研究进展显示文摘近年来,注射剂的安全性越来越受到关注,引起过敏反应是其临床用药严重不良反应之一。建立高效、灵敏、准确的致敏成分分析方法有助于发现新的致敏原,提高注射剂质量和临床用药安全。本文综述了目前注射剂中致敏成分的主要分析技术,包括液相色谱-质谱联用技术、细胞膜色谱技术、酶联免疫吸附实验技术、免疫芯片技术等,并分别介绍其原理、优势和局限不足,以及在致敏成分分析中的应用,以期为注射剂安全性的提升提供参考。 | 臧清策 靳洪涛 再帕尔.阿不力孜 贺玖明 | 2018 | 中国药物警戒2018，15，4： | 6 |
| 9 | 基于UPLC-Q/TOF-MS技术对丹参川芎嗪注射液在大鼠体内代谢的研究显示文摘目的研究大鼠注射丹参川芎嗪注射液后,在体内的代谢产物,研究该制剂在大鼠体内的生物转化途径。方法采用超高效液相色谱与四极杆-飞行时间串联质谱联用技术(UPLC-Q/TOF-MS)对大鼠血浆、尿液、粪便、胆汁进行分析,鉴定注射液主要成分的代谢产物。结果在血浆、尿液、粪便、胆汁中共发现了13个代谢产物,主要的代谢途径包括羟基化、羧基化、乙酰化、硫酸酯化和葡萄糖醛酸化。结论该方法简便、高效、灵敏,可快速鉴别丹参川芎嗪注射液在大鼠体内的代谢产物,为更好地阐明丹参川芎嗪注射液在体内的代谢途径提供参考。 | 董庆海 刘慧 司雨 焦玉凤 刘金平 杨娜 | 2020 | 中南药学2020，18，6： | 5 |
| 10 | 基于UPLC-Q-TOF-MS分析通络清脑注射剂在大鼠体内的代谢产物显示文摘目的:研究大鼠尾静脉注射通络清脑注射剂后尿液中的代谢产物,为该制剂的作用机制分析提供参考。方法:大鼠尾静脉注射通络清脑注射剂,收集0~12 h尿液,采用超高效液相色谱-四级杆-飞行时间串联质谱(UPLC-Q-TOF-MS)分析尿液样品,流动相0.1%甲酸水溶液-乙腈梯度洗脱,流速0.3 m L·min^(-1),电喷雾离子源,正离子模式,扫描范围m/z 100~1 400。结果:检测并鉴定到7个原型成分(黄芩苷,栀子苷,三七皂苷R1,人参皂苷Rg1,Rb1,Rd和Re)及10个可能的代谢产物(其中4个来源于黄芩苷,6个来源于栀子苷)。10个可能的代谢产物分别为葡萄糖基化代谢物(B-M1,G-M2和G-M4),葡萄糖醛酸化代谢物(B-M2),甲基化代谢物(B-M3),水解代谢物(B-M4),去甲基化代谢物(G-M1),脱氢代谢物(G-M3)和羟基化代谢物(G-M5和G-M6),而人参皂苷类成分则暂时未能在尿液中检测到代谢产物。结论:尾静脉注射通络清脑注射剂后,大鼠尿液中能检测到黄芩苷和栀子苷的原型及不同途径的10个代谢产物,而三七总皂苷各成分则只检测到药物原型,暂时未能检测到代谢产物。 | 陈腾飞 刘建勋 孙明谦 林力 张鹏 | 2017 | 中国实验方剂学杂志2017，23，17： | 3 |
| 11 | 香橘乳癖宁胶囊UPLC特征指纹图谱研究显示文摘目的建立香橘乳癖宁胶囊(XRC)的UPLC指纹图谱,利用系统指纹定量法鉴定各批次制剂质量,并采用电喷雾离子源-四极杆-飞行时间质谱(ESI-Q-TOF/MSE)对其化学成分进行定性分析。方法采用Acquty UPLC BEH C18(100mm×2.1 mm,1.7μm)色谱柱,以0.1%甲酸水溶液-乙腈为流动相进行梯度洗脱,体积流量为0.25 m L/min,柱温为28℃,检测波长为270 nm。以系统指纹定量法的宏定性相似度(Sm)、宏定量相似度(Pm)为评价指标,对10批制剂的整体质量进行评价。并利用UPLC-ESI-Q-TOF/MSE正、负2种离子模式扫描对共有峰成分进行定性分析。结果建立10批XRC的UPLC对照指纹图谱,标定33个共有峰,指认其中28个成分,并分别归属药材来源。系统指纹定量法评价结果表明,9批制剂质量在5级以上。结论建立有效、可靠的XRC制剂质量评价方法,对其质量控制方法进行提升,并为物质基础的进一步研究奠定基础。 | 李响 白雪 何毅 吕燕男 缪兴龙 周桂荣 李萍 | 2018 | 中草药2018，49，2： | 2 |
| 12 | Integration of full-length transcriptomics and targeted metabolomics to identify benzylisoquinoline alkaloid biosynthetic genes in Corydalis yanhusuo显示文摘Corydalis yanhusuo W.T.Wang is a classic herb that is frequently used in traditional Chinese medicine and is efficacious in promoting blood circulation,enhancing energy,and relieving pain.Benzylisoquinoline alkaloids(BIAs)are the main bioactive ingredients in Corydalis yanhusuo.However,few studies have investigated the BIA biosynthetic pathway in C.yanhusuo,and the biosynthetic pathway of species-specific chemicals such as tetrahydropalmatine remains unclear.We performed full-length transcriptomic and metabolomic analyses to identify candidate genes that might be involved in BIA biosynthesis and identified a total of 101 full-length transcripts and 19 metabolites involved in the BIA biosynthetic pathway.Moreover,the contents of 19 representative BIAs in C.yanhusuo were quantified by classical targeted metabolomic approaches.Their accumulation in the tuber was consistent with the expression patterns of identified BIA biosynthetic genes in tubers and leaves,which reinforces the validity and reliability of the analyses.Full-length genes with similar expression or enrichment patterns were identified,and a complete BIA biosynthesis pathway in C.yanhusuo was constructed according to these findings.Phylogenetic analysis revealed a total of ten enzymes that may possess columbamine-O-methyltransferase activity,which is the final step for tetrahydropalmatine synthesis.Our results span the whole BIA biosynthetic pathway in C.yanhusuo.Our full-length transcriptomic data will enable further molecular cloning of enzymes and activity validation studies. | Dingqiao Xu Hanfeng Lin Yuping Tang Lu Huang Jian Xu Sihui Nian Yucheng Zhao | 2021 | Horticulture Research2021，8，1： | 2 |
| 13 | Deciphering the chemical profile and pharmacological mechanism of Jinlingzi powder(金铃子散)against bile reflux gastritis using ultra-high performance liquid chromatography coupled with Q exactive focus mass spectrometry,network pharmacology,and molecular docking显示文摘OBJECTIVE:To elucidate the chemical profile and the pharmacological mechanism by which Jinlingzi powder(金铃子散,JLZP)treats bile reflux gastritis(BRG).METHODS:A BRG model was established in rats by oral administration of the model solution.JLZP was orally administered for 35 d.Residual gastric rate and tumor necrosis factor(TNF)-α,interleukin(IL)-6,and gastrin levels in the serum were measured,and stomach tissues were collected for histopathological analysis.We used ultra-high performance liquid chromatography coupled with Q Exactive Focus mass spectrometry to identify the chemical ingredients in JLZP.Then,protein-protein interaction and herb-compound-target networks were constructed to screen potential bioactive compounds and targets.Kyoto Encyclopedia of Genes and Genomes pathway analysis was then performed to elucidate the pathway involved in the JLZP-mediated treatment of BRG.After constructing the core compound-target-pathway interaction network,molecular docking was performed to study the binding free energy of core bioactive compounds and two candidate targets[RAC-alpha serine/threonine-protein kinase(AKT1)and phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform(PIK3CA)].RESULTS:JLZP extracts significantly promoted gastric emptying,regulating the release of cytokines(TNF-αand IL-6)and improving gastrin secretion and mucosal repair.Fifty-six compounds were tentatively characterized in JLZP.Moreover,the network pharmacology and molecular docking results showed that alkaloids and flavonoids might be the bioactive compounds in JLZP that treat BRG.JLZP might improve mucosal repair during BRG progression by modulating the phosphatidylinositol-4,5-bisphosphate 3-kinase-protein kinase B,hypoxia inducible factor-1,mitogen-activated protein kinase,forkhead box O,TNF,and IL-17 signaling pathways.CONCLUSIONS:We elucidated the chemical constituents and the pharmacological mechanism of JLZP in treating BRG and provided a basis for clinical application. | REN Hui ZHAO Lintao GAO Kai YANG Yuanyuan CUI Xiaomin HU Jing CHEN Zhiyong LI Ye | 2023 | Journal of Traditional Chinese Medicine2023，43，6： | 0 |
| 14 | 新型抗心衰化合物的合成及稳定性研究显示文摘心力衰竭是各类心血管疾病的最终归宿,具有高发病率、高致死率及治疗费用高等特点。通过将异烟酸乙酯与水合肼反应生成异烟肼后与2-羟基-1-萘甲醛两步步反应得到具有细胞活性的小分子化合物——新型心肌肌球蛋白激动剂AFHF001,进而采用质谱法和核磁共振技术对其进行结构确证。对其稳定性考察发现其在酸性条件及碱性生理盐水中不稳定,易发生分解。该合成方法快速简便,分子结构准确可靠,稳定性考察可为后续临床试验提供数据支撑。 | 刘静怡 惠人杰 冯柏年 | 2018 | 广州化工2018，46，11： | 0 |
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