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Current Research in Food Science · 2024 · IF 6.2

Comprehensive lipidomics study of basa catfish and sole fish using ultra-performance liquid chromatography Q-extractive orbitrap mass spectrometry for fish authenticity

Weibo Lu,Yunyan Li,Lijun Ge,Honghai Wang,Ting Liu,Qiaoling Zhao,Zhujun Mao,Jingjing Liang,Pingya Wang,Kang Chen,Jing Xue,Qing Shen

The authenticity of fish products has become a widespread issue in markets due to substitution and false labeling. Lipidomics combined with chemometrics enables the fraudulence identification of food through the analysis of a large amount of data. This study utilized ultra-high-performance liquid chromatography (UHPLC)-QE Orbitrap MS technology to comprehensively analyze the lipidomics of commercially available basa catfish and sole fish. In positive and negative ion modes, a total of 779 lipid molecules from 21 lipid subclasses were detected, with phospholipid molecules being the most abundant, followed by glycerides molecules. Significant differences in the lipidome fingerprinting between the two fish species were observed. A total of 165 lipid molecules were screened out as discriminative features to distinguish between basa catfish and sole fish, such as TAG(16:0/16:0/18:1), PC(14:0/22:3), and TAG(16:1/18:1/18:1), etc. This study could provide valuable insights into authenticating aquatic products through comprehensive lipidomics analysis, contributing to quality control and consumer protection in the food industry.

研究领域: 食品科学 · 分析化学 · 生物化学
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JOURNAL OF FOOD COMPOSITION AND ANALYSIS · 2023 · IF 4.3

Identification and discrimination of lilii bulbus origins based on lipidomics using UHPLC–QE-Orbitrap/MS/MS combined with chemometrics analysis

Li Zhou,Yuting Guan,Jiaxu Yao,Minjie Zhao,Haiyan Fu,Jikai Liu,Eric Marchioni

Lilium brownii  var.  viridulum  Baker is an economically important plant, and its bulbs are popular among consumers for their high nutritional value. Due to the influence of environment, the chemical composition of lily from different origin is different, which leads to the different medicinal and nutritional values. Thus, it is very significant and necessary to discriminate the origins of lily. In this study, lipid classes and molecular species of lily samples from eight origins were identified and quantified by UHPLC-QE-Orbitrap/MS/MS and combined with chemometrics for modeling and analysis. The results showed that a total of 16 lipid classes and 88 lipid molecules were identified and quantified. The partial least squares discriminant analysis (PLS-DA) showed that there were significant differences in lipid metabolites between LH (Daodi) and other origins. And 39 characteristic compounds such as TAG 16:0/18:0/18:2, TAG 18:0/18:1/18:2, and LDGCC 15:2 could be used as the markers to identify the geographical origin of lily. This study established a new method to identify the origin traceability of lily in different production areas, and provided a theoretical basis to evaluate the nutritional value of lilies from different origins.

CAS / MDL: 631-61-8
研究领域: 植物化学 · 代谢组学 · 食品科学
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JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS · 2023 · IF 3.4

Identifying the active ingredients of carbonized Typhae Pollen by spectrum-effect relationship combined with MBPLS, PLS, and SVM algorithms

Xiao-Jie Ouyang,Jia-Qi Li,Yong-Qi Zhong,Min Tang,Jiang Meng,Yue-Wei Ge,Sheng-Wang Liang,Shu-Mei Wang,Fei Sun

Typhae Pollen (TP) and its carbonized product (carbonized Typhae Pollen, CTP), as cut-and-dried herbal drugs , have been widely used in the form of slices in clinical settings. However, the two drugs exhibit a great difference in terms of their clinical efficacy, for TP boasts an effect of removing blood stasis and promoting blood circulation, while CTP typically presents a hemostatic function. Since the active ingredients of CTP, so far, still remain unclear, this study aimed at identifying the active ingredients of CTP by spectrum-effect relationship approach coupled with multi-block partial least squares (MBPLS), partial least squares (PLS), and support vector machine (SVM) algorithms. In this study, the chemical profiles of a series of CTP samples which were stir-fried for different duration (denoted as CTP0∼CTP9) were firstly characterized by UHPLC-QE-Orbitrap MS. Then the hemostatic effect of the CTP samples was evaluated from the perspective of multiple parameters—APTT, PT , TT, FIB , TXB 2 , 6-keto-PGF1α, PAI-1 and t-PA—using established rat models with functional uterine bleeding . Subsequently, MBPLS, PLS and SVM were combined to perform spectrum-effect relationship analysis to identify the active ingredients of CTP, followed by an in vitro hemostatic bioactivity test for verification. As a result, a total of 77 chemical ingredients were preliminarily identified from the CTP samples, and the variations occurred in these ingredients were also analyzed during the carbonizing process. The study revealed that all the CTP samples, to a varying degree, showed a hemostatic effect, among which CTP6 and CTP7 were superior to the others in terms of the hemostatic effect. The block importance in the projection (BIP) indexes of MBPLS model indicated that flavonoids and organic acids made more contributions to the hemostatic effect of CTP in comparison to other ingredients. Consequently, 9 bioactive ingredients, including quercetin-3- O -glucoside, kaempferol-3- O -rutinoside, quercetin , kaempferol , isorhamnetin , 2-methylenebutanedioic acid, pentanedioic acid , benzoic acid and 3-hydroxybenzoic acid, were further identified as the potential active ingredients based on PLS and SVM models as well as the in vitro verification. This study successfully revealed the bioactive ingredients of CTP associated with its hemostatic effect, and also provided a scientific basis for further understanding the mechanism of TP processing. In addition, it proposed a novel path to identify the active ingredients for Chinese herbal medicines.

CAS / MDL: 979-32-8
研究领域: 药理学 · 分析化学 · 中药学 · 生物信息学 · 止血
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