综述专论

液质联用数据库技术的研究进展及其在中药分析领域的应用*

展开
  • 中国食品药品检定研究院,北京 102629
第一作者:王郡瑶 Tel:13371736621;E-mail:879570116@qq.com ;程显隆 Tel:(010)53851483;E-mail:cxl@nifdc.org.cn
** 魏 锋 Tel:(010)53852020;E-mail:weifeng@nifdc.org.cn ;马双成 Tel:(010)53851483;E-mail:masc@nifdc.org.cn

修回日期: 2021-06-21

  网络出版日期: 2024-07-11

基金资助

* 国家重点研发计划“中药材净切制关键技术与智能设备研究及应用”(2019YFC1711500)

Research progress of LC-MS database technology and application in the field of traditional Chinese medicine analysis*

Expand
  • National Institutes for Food and Drug Control,Beijing 102629,China

Revised date: 2021-06-21

  Online published: 2024-07-11

摘要

液质联用法兼具高分离度和高灵敏度的特点,并且可以提供分子质量和结构信息,在中药分析中发挥着重要作用。但由于中药的液质数据中信息量大,包含非常多的化学成分信息,并且质谱解析需辅以一定的专业知识, 导致液质的数据信息不能被很好地挖掘。随着计算机技术的发展,建立数据库来辅助中药成分鉴定,可以充分挖掘液质数据信息,并提高定性鉴别的效率。本文围绕液质联用数据库技术的发展、类型及特点,对相关文献进行综述,总结了液质联用结合数据库技术在中药分析领域的应用现状,以期为后续中药鉴定中的应用提供参考。

本文引用格式

王郡瑶, 程显隆, 李明华, 郭晓晗, 魏锋, 马双成 . 液质联用数据库技术的研究进展及其在中药分析领域的应用*[J]. 药物分析杂志, 2021 , 41(7) : 1107 -1113 . DOI: 10.16155/j.0254-1793.2021.07.01

Abstract

Liquid chromatography-mass spectrometry technology,which has the characteristics of high resolution and sensitivity and can provide molecular mass and structural information,plays an important role in the identification of various compounds. However,LC-MS data of traditional Chinese medicine(TCM) contains much information,which represents a lot of compounds,and a certain amount of professional knowledge is required to perform the data analysis,so the data information of the liquid quality cannot be analyzed completely. With the development of computer technology,the database was established to assist structural analysis,which can improve the identification efficiency. This article review on the development,type and characteristics of the LC-MS database technology,and summarizes the application of the LC-MS in the field of TCM analysis,which provide a reference for the application in the subsequent identification of TCM.

参考文献

[1] 张训. 不同方法与技术在中药材鉴定中的应用[J].中国农业信息,2017(11):76
ZHANG X.Application of different methods and techniques in the identification of traditional Chinese medicine[J].China Agric Inf,2017( 11):76
[2] 刘现磊. 浅析中药材的现代鉴定方法[J].中国民康医学,2019, 31(1):86
LIU XL.Analysis of modern identification methods of Chinese medicinal materials[J].Med J Chin People Health,2019,31(1): 86
[3] 王寒迎. 基于深度学习的中药材鉴别方法研究[D].桂林:桂林电子科技大学,2019
WANG HY.Research on Identification Method of Chinese Medicinal Materials Based on Deep Learning[D].Guilin:Guilin University of Electronic Technology,2019
[4] 高锦红. 现代分析技术在调味品鉴别中的应用[J].食品研究与开发,2019,40(20):219
GAO JH.Application of modern analysis technology in the identification of condiments[J].Food Res Dev,2019,40(20): 219
[5] 魏帅,鲍蕾.食品接触材料中非有意添加物的检测方法[J].食品安全质量检测学报,2019,10(24):8195
WEI S,BAO L.Method for detecting unintentional additives in food contact materials[J].J Food Saf Qual,2019,10(24):8195
[6] 龙志敏. 高分辨质谱在代谢组学中的应用[C]// 第十一届中国生命科学公共平台管理与发展研讨会摘要集.南京:南京大学医药生物技术国家重点实验室,2018
LONG ZM.Application of high-resolution mass spectrometry in metabolomics[C]// Summary of the 11th China Life Science Public Platform Management and Development Symposium.Nanjing:State Key Laboratory of Medical Biotechnology,Nanjing University, 2018
[7] 张宏蕊. 基于多光谱成像技术和代谢组学技术的玛咖真伪鉴别研究[D].合肥:合肥工业大学,2019
ZHANG HR.Research on Maca Authenticity Identification Based on Multispectral Imaging Technology and Metabolomics Technology [D].Hefei:Hefei University of Technology,2019
[8] 张柳,王丽瑶,张凯雪,等.应用于天然产物研究与开发的代谢组学数据[J].化学分析计量,2019,28(5):128
ZHANG L,WANG LY,ZHANG KX,et al.Metabolomics data used in natural product research and development[J].Chem Anal Meter 2019,28(5):128
[9] 王丽丽,迟大民.现代分析技术在药物分析和质量控制中的应用[J].云南化工,2020,47(4):34
WANG LL,CHI DM.Application of modern analysis technology in drug analysis and quality control[J].Yunnan Chem Ind,2020,47(4):34
[10] 王竞阳. 信息管理中的计算机数据库技术应用[J].无线互联科技,2020,17(4):160
WANG JY.Application of computer database technology in information management[J].Wireless Internet Technol,2020,17(4):160
[11] 李天轮. 数据库技术的发展现状与趋势研究[J].科技风,2019 (2):89
LI TL.Research on the development status and trend of database technology[J].Technol Wind,2019(2):89
[12] 曾英. 计算机数据库技术在信息管理中的应用[J].计算机产品与流通,2020(6):9
ZENG Y.Application of computer database technology in information management[J].Comput Prod Circ,2020(6):9
[13] 熊光华. 计算机数据库系统在企业管理中的应用[J].计算机产品与流通,2020(5):14
XIONG GH.Application of computer database system in enterprise management[J].Comput Prod Circ,2020(5):14
[14] 韩光洁. 计算机数据库系统在医院信息管理中的应用[J].信息与电脑(理论版),2019(1):20
HAN GJ.Application of computer database system in hospital information management[J].Inf Comput( Theory Ed),2019(1): 20
[15] 桂婧琦. 基于数据库技术的多式联合运输物流管理系统设计研究[J].计算机产品与流通,2020(4):161
GUI JQ.Design and research of multimodal transportation logistics management system based on database technology[J].Comput Prod Circ,2020(4):161
[16] 戴昀. 基于大数据背景的数据库技术应用现状与发展方向研究[J].数字技术与应用,2019,37(10):86
DAI Y.Research on application status and development direction of database technology based on big data background[J].Digital Technol Appl,2019,37(10):86
[17] 王茹茹,肖千一,傅华.阿尔茨海默病的蛋白质组学研究进展[J].中国临床神经科学,2019,27( 5):565
WANG RR,XIAO QY,FU H.Proteomics research progress of Alzheimer’s disease[J].Chin J Clin Neurosci,2019,27(5):565
[18] MAY M,李楠.大数据转化:蛋白质组学的挑战[J].科学新闻, 2019(4):55
MAY M,LI N.Big data transformation:challenges of proteomics[J].Sci News,2019(4):55
[19] KIM YI,LEE JG,CHOI YJ,et al.Proteogenomic study beyond chromosome 9:new insight into expressed variant proteome and transcriptome in human lung adenocarcinoma tissues[J].J Proteome Res,2015,14(12):5007
[20] 陶磊,赵颖华,饶春明,等.液质联用鉴定重组人1 型单纯疱疹病毒载体的蛋白种类[J].药物分析杂志,2020,40(1):13
TAO L,ZHAO YH,RAO CM,et al.Identification of recombinant human herpes simplex virus vector protein types by liquid chromatography-mass spectrometry[J].Chin J Pharm Anal,2020, 40(1):13
[21] 常拓,齐彦爽,蔺曼,等.基于GEO 数据库、TMT 蛋白组学筛选绞股蓝对膀胱癌的蛋白靶点研究[J/OL].基因组学与应用生物学,2020,1:16[2021-05-25].http://kns.cnki.net/kcms/detail/45.1369.q.20200601.1055.002.html
CHANG T,QI YS,LIN M,et al.Screening protein targets of gynostemma pentaphylum on bladder cancer based on GEO database and TMT proteomics[J/OL].Gen Appl Biol,2020, 1:16[2021-05-25].http://kns.cnki.net/kcms/detail/45.1369.q.20200601.1055.002.html
[22] KAWASHIMA Y,WATANABE E,UMEYAMA T,et al.Optimization of data-independent acquisition mass spectrometry for deep and highly sensitive proteomic analysis[J].Int J Mol Sci, 2019,20(23):5932
[23] 陈龙,朱化彬,沙里金,等.蛋白质组学数据库建设的研究进展[J].畜牧与兽医,2008,40(8):102
CHEN L,ZHU HB,SHA LJ,et al.Research progress of proteomics database construction[J].Anim Husb Vet Med,2008,40(8):102
[24] JAMES SJ,CUTLER R,MELNYK S,et al.Metabolic biomarkers of increased oxidative stress and impaired methylation capacity in children with autism[J].Am J Clin Nutr,2004,80(6):1611
[25] WISHART DS.Computational strategies for metabolite identification in metabolomics[J].Bioanalysis,2009,1(9):1579
[26] DA SILVA RR,DORRESTEIN PC,QUINN RA.Illuminating the dark matter in metabolomics[J].Proc Natl Acad Sci USA,2015, 112(41):12549
[27] BLAŽENOVIĆ I,KIND T,JI J,et al.Software tools and approaches for compound identification of LC-MS/MS data in metabolomics[J]. Metabolites,2018,8(2):31
[28] TACHIBANA C,高大海,姜天海.代谢组学:未来新方向[J].科学新闻,2015(4):70
CHRIS T,GAO DH,JIANG TH.Metabolomics:a new direction in the future[J].Sci News,2015(4):70
[29] BECUE I,VAN POUCKE C,VAN PETEGHEM C.An LC-MS screening method with library identification for the detection of steroids in dietary supplements[J].J Mass Spectrom,2011,46(3): 327
[30] ABBAS O,ZADRAVEC M,BAETEN V,et al.Analytical methods used for the authentication of food of animal origin[J].Food Chem, 2018,246:6
[31] SHAO B,LI H,SHEN JZ,et al.Nontargeted detection methods for food safety and integrity[J].Annu Rev Food Sci Technol,2019, 10:429
[32] 孙利,张显强.建立微量物证样本库和数据库的意义及作用[J].法制博览,2019(26):66
SUN L,ZHANG XQ.The significance and function of establishing micro evidence sampled database and database[J].Legal Vision, 2019(26):66
[33] 张建新,孟品佳,陈存仪,等.LC-MS/MS 法分析海洛因吸食者毛发中的阿片类化合物[J].卫生研究,2010,39(5):593
ZHANG JX,MENG PJ,CHEN CY,et al.Analysis of opioids in the hair of heroin addicts by LC-MS/MS method[J].Health Res, 2010,39(5):593
[34] 易伟,李强,陈建立,等.CLAM-2000 和 LC-MS/MS 联用检测尿样中的3 种苯丙胺类毒品含量[J].环境化学,2019,38(10): 2402
YI W,LI Q,CHEN JL,et al.CLAM-2000 and LC-MS/MS combined detection of three amphetamines in urine samples[J]. Environ Chem,2019,38(10):2402
[35] 张文竞,赵蒙.超高效液相色谱- 串联四极杆飞行时间质谱法快速筛查尿液中58 种毒品及滥用药物[J].刑事技术,2019,44(3):219
ZHANG WJ,ZHAO M.Ultra-high performance liquid chromatography-tandem quadrupole time-of-flight mass spectrometry for rapid screening of 58 drugs and drugs of abuse in urine[J].Crim Technol,2019,44(3):219
[36] 赵丽梅,谭宁华.国内中药化学成分库建设的现状分析与思考[J].中国中药杂志,2012,37(20):3012
ZHAO LM,TAN NH.Analysis and reflection on the current situation of the construction of traditional Chinese medicine chemical composition library[J].China J Chin Mater Med,2012,37(20): 3012
[37] 钱叶飞,尚尔鑫,段金廒,等.基于液质联用数据库技术的中药及天然产物化学成分快速鉴定方法的建立[J].中国中药杂志, 2012,37(21):3256
QIAN YF,SHANG EX,DUAN JA,et al.Establishment of a rapid identification method for chemical components of traditional Chinese medicine and natural products based on liquid-mass spectrometry database technology[J].China J Chin Mater Med,2012,37(21): 3256
[38] 燕攀,贾帅龙,李森,等.基于液质联用技术的中药植化成分研究方法与策略[J].药学学报,2020,55(7):1494
YAN P,JIA SL,LI S,et al.Research methods and strategies of phytochemical components of traditional Chinese medicine based on liquid-mass spectrometry technology[J].Acta Pharm Sin,2020, 55(7):1494
[39] 赵丽梅,谭宁华.国外天然产物化学成分实物库及数据库建设概况[J].中国中药杂志,2015,40(1):29
ZHAO LM,TAN NH.Overview of foreign physical product chemical composition database and database construction[J].China J Chin Mater Med,2015,40(1):29
[40] HORAI H,ARITA M,KANAYA S,et al.MassBank:a public repository for sharing mass spectral data for life sciences[J].J Mass Spectrom,2010,45(7):703
[41] SMITH CA,O’MAILLE G,WANT EJ,et al.METLIN:a metabolite mass spectral database[J].Ther Drug Monit,2005,27(6): 747
[42] 施伟丽,信琪琪,袁蓉,等.借用网络数据库分析葛根化学成分及其与现代疾病的关系[J].环球中医药,2018,11(4):610
SHI WL,XIN QQ,YUAN R,et al.Borrowing the network database to analyze the chemical composition of Pueraria lobata and its relationship with modern diseases[J].Global J Tradit Chin Med, 2018,11(4):610
[43] 张柳,邓佳璐,白海英,等.面向代谢组学的西北道地药材数据库的建立与应用[J].中国现代中药,2020,22(3):348
ZAHNG L,DENG JL,BAI HY,et al.Establishment and application of metabolomics-oriented northwestern medicinal materials database[J].Mod Chin Med,2020,22(3):348
文章导航

/