GIPS-Mix for Accurate Identification of Isomeric Components in Glycan Mixtures Using Intelligent Group-Opting Strategy

doi:10.1021/acs.analchem.2c02978

	GIPS-Mix for Accurate Identification of Isomeric Components in Glycan Mixtures Using Intelligent Group-Opting Strategy
	Huang, Chuncui 1; Hou, Meijie 2,6; Yan, Jingyu 3; Wang, Hui 2,6; Wang, Yu 2,6; Cao, Cuiyan 3; Wang, Yaojun 4; Gao, Huanyu 1; Ma, Xinyue 1,6; Zheng, Yi 3; Bu, Dongbo 2,6; Chai, Wengang 5; Li, Yan 1,6; Sun, Shiwei 2,6
	2022-12-22
发表期刊	ANALYTICAL CHEMISTRY
ISSN	0003-2700
页码	9
摘要	Accurate identification of glycan structures is highly desirable as they are intimately linked to their different functions. However, glycan samples generally exist as mixtures with multiple isomeric structures, making assignment of individual glycan components very challenging, even with the aid of multistage mass spectrometry (MSn). Here, we present an approach, GIPS-mix, for assignment of isomeric glycans within a mixture using an intelligent group-opting strategy. Our approach enumerates all possible combinations (groupings) of candidate glycans and opts in the best-matched glycan group(s) based on the similarity between the simulated spectra of each glycan group and the acquired experimental spectra of the mixture. In the case that a single group could not be elected, a tie break is performed by additional MSn scanning using intelligently selected precursors. With 11 standard mixtures and 6 human milk oligosaccharide fractions, we demonstrate the application of GIPS-mix in assignment of individual glycans in mixtures with high accuracy and efficiency.
DOI	10.1021/acs.analchem.2c02978
收录类别	SCI
语种	英语
资助项目	National Key Research and Development Program of China[2020YFA0907000] ; Biological Resources Programme, Chinese Academy of Sciences[KFJ-BRP-017-76] ; National Natural Science Foundation of China[32271297] ; National Natural Science Foundation of China[82130055] ; National Natural Science Foundation of China[62072435] ; National Natural Science Foundation of China[31770775] ; Leading Innovative and Entrepreneur Team Introduction Program of Zhejiang[2019R02002] ; March of Dimes Prematurity Research Center grant[22-FY18-82] ; Wellcome Trust Biomedical Resource grant[218304/Z/19/Z] ; project of Dengfeng Plan from Foshan Hospital of Traditional Chinese Medicine[202000205]
WOS研究方向	Chemistry
WOS类目	Chemistry, Analytical
WOS记录号	WOS:000905175900001
出版者	AMER CHEMICAL SOC
引用统计	被引频次：3[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://119.78.100.204/handle/2XEOYT63/20113
专题	中国科学院计算技术研究所期刊论文
通讯作者	Chai, Wengang; Li, Yan; Sun, Shiwei
作者单位	1.Chinese Acad Sci, Inst Biophys, Beijing 100101, Peoples R China 2.Chinese Acad Sci, Inst Comp Technol, Key Lab Intelligent Informat Proc, Beijing 100080, Peoples R China 3.Chinese Acad Sci, Dalian Inst Chem Phys, Key Lab Separat Sci, Dalian 116023, Peoples R China 4.China Agr Univ, Coll Informat & Elect Engn, Beijing 100083, Peoples R China 5.Imperial Coll London, Dept Med, Glycosciences Lab, London W12 0NN, England 6.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Huang, Chuncui,Hou, Meijie,Yan, Jingyu,et al. GIPS-Mix for Accurate Identification of Isomeric Components in Glycan Mixtures Using Intelligent Group-Opting Strategy[J]. ANALYTICAL CHEMISTRY,2022:9.
APA	Huang, Chuncui.,Hou, Meijie.,Yan, Jingyu.,Wang, Hui.,Wang, Yu.,...&Sun, Shiwei.(2022).GIPS-Mix for Accurate Identification of Isomeric Components in Glycan Mixtures Using Intelligent Group-Opting Strategy.ANALYTICAL CHEMISTRY,9.
MLA	Huang, Chuncui,et al."GIPS-Mix for Accurate Identification of Isomeric Components in Glycan Mixtures Using Intelligent Group-Opting Strategy".ANALYTICAL CHEMISTRY (2022):9.