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题名: An approach to the simultaneous quantitative analysis of metabolites in table wines by1H NMR self-constructed three-dimensional spectra
作者: Li, Bao Qiong; Xu, Min Li; Wang, Xue; Zhai, Hong Lin; Chen, Jing; Liu, Jin Jin
收录类别: SCIE ; EI ; PubMed ; MEDLINE
出版日期: 2017-02-01
刊名: Food Chemistry
卷号: 216, 页码:52-59
出版者: ELSEVIER
出版地: OXFORD
英文摘要: Wine consists of several hundred components with different concentrations, including water, ethanol, glycerol, organic acids and sugars. Accurate quantification of target compounds in such complex samples is a difficult task based on conventional H-1 NMR spectra due to some challenges. In this paper, the three-dimensional spectrum was constructed firstly by simply repeating H-1 NMR spectrum itself so as to extract the features of target compounds by Tchebichef moment method. A proof-of-concept model system, the determination of five metabolites in wines was utilized to evaluate the performance of the proposed strategy. The results indicate that the proposed approach can provide accurate and reliable concentration predictions, probably the best results ever achieved using PLS and interval-PLS methods. Our novel strategy has not only good performance but also does not require laborious multi-step and subjective pretreatments. Therefore, it is expected that the proposed method could extend the application of conventional H-1 NMR. (C) 2016 Elsevier Ltd. All rights reserved.
关键词: H-1 NMR ; Self-constructed three-dimensional spectrum ; Tchebichef moment method ; Partial least square regression ; Quantitative analysis ; Metabolites
作者部门: (1) College of Chemistry & Chemical Engineering, Lanzhou University, Lanzhou ; 730000, China
通讯作者: Zhai, HL (reprint author), Lanzhou Univ, Coll Chem & Chem Engn, Lanzhou 730000, Peoples R China.
学科分类: Chemistry; Food Science & Technology; Nutrition & Dietetics
文章类型: Article
所属项目编号: National Natural Science Foundation Committee of P. R. China [21275067]
所属项目名称: 国家自然科学基金项目
项目资助者: NSFC
语种: 英语
DOI: 10.1016/j.foodchem.2016.08.018
ISSN号: 0308-8146
WOS记录号: WOS:000384783300007
EI记录号: 20163302711326
PM记录号: 27596391
IR记录号: 20163302711326
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内容类型: 期刊论文
URI标识: http://ir.lzu.edu.cn/handle/262010/180613
Appears in Collections:化学化工学院_期刊论文

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Recommended Citation:
Li, Bao Qiong,Xu, Min Li,Wang, Xue,et al. An approach to the simultaneous quantitative analysis of metabolites in table wines by1H NMR self-constructed three-dimensional spectra[J]. Food Chemistry,2017,216:52-59.
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