MOLECULES
·
2022
·Vol. 27
·期 9
·2982
·
IF 4.927
Chao Ji,Jinyu Liu,Qin Zhang,Juan Li,Zhiqiang Wu,Xingyu Wang,Yuxin Xie,Jiangchao Zhao,Rui Shi,Xing Ma,Mohammad Rizwan Khan,Rosa Busquets,Xiahong He,Youyong Zhu,Shusheng Zhu,Wenjie Zheng
Panax notoginsengis an important functional health product, and has been used worldwide because of a wide range of pharmacological activities, of which the taproot is the main edible or medicinal part. However, the technologies for origin discrimination still need to be further studied. In this study, an ICP-MS/MS method for the accurate determination of 49 elements was established, whereby the instrumental detection limits (LODs) were between 0.0003 and 7.716 mg/kg, whereas the quantification limits (LOQs) were between 0.0011 and 25.7202 mg/kg, recovery of the method was in the range of 85.82% to 104.98%, and the relative standard deviations (RSDs) were lower than 10%. Based on the content of multi-element inP. notoginseng(total of 89 mixed samples), the discriminant models of origins and cultivation models were accurately determined by the neural networks (prediction accuracy was 0.9259 and area under ROC curve was 0.9750) and the support vector machine algorithm (both 1.0000), respectively. The discriminant models established in this study could be used to support transparency and traceability of supply chains ofP. notoginsengand thus avoid the fraud of geographic identification.Keywords:Panax notoginseng;ICP-MS/MS;multi-element;origin discrimination;cultivation model discrimination
研究领域:
植物学
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药学
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分析化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF FOOD COMPOSITION AND ANALYSIS
·
2025
·
IF 4.6
Xia Hua,Chunling Yin,Leqian Hu,Liuchuang Zhao,Zhimin Liu,Peng Li
s Selective probes exclusively interact with a single metal ion species. In contrast, weakly selective probes can simultaneously coordinate with multiple metal ions, generating distinct fluorescence spectral signatures. This unique attribute enables them to provide more abundant chemical information. In this study, two weakly selective fluorescent probes of imidazole derivatives were designed and synthesized. We investigated the viability of utilizing a fluorescent array to trace the origin of Poria cocos based on the variations in fluorescence intensity and position of the distinctive fluorescence peaks created by their interaction with various metal ions. Subsequently, we collected three-dimensional fluorescence spectra of the interactions between the fluorescent array sensors and Poria cocos extracts from different geographical origins. These array data were analyzed using multi-way pattern recognition methods. The U-PLS-DA model exhibited excellent performance, with a prediction accuracy of 97.56 % that exceeded that of the N-PLS-DA model. This study demonstrates that the weakly selective probe array approach integrated with chemometric analysis provides a novel strategy for the traceability of non-fluorescent foods and traditional Chinese medicines.
研究领域:
分析化学
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药物分析
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中药学
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化学计量学
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荧光探针技术
✓ 已验证
产品关联
DOI
高影响因子
Journal of Analytical Methods in Chemistry
·
2024
·Vol. 2024
·期 1
·9583022
·
IF 2.3
Yuping Wu,Haiyu Zhang,Wenyuan Wang,Guanghui Kong,Zaiming Li,Tikun Zhang,Miaochang Wang,Dong Yang,Chengming Zhang,Yongping Li,Jin Wang
To characterize volatile organic compounds (VOCs) and aromatic sensory properties in Yun cigar, 27 samples from four origins were analyzed using SPME–HS–GC/MS and sensory analysis. The investigation results were analyzed using principal component analysis (PCA), Fisher linear discriminant analysis (LDA), and Pearson correlation analysis. In Yunnan cigars, the content of nicotine and neophytadiene accounted for over 90% of the total VOC content. Nicotine was significantly positively correlated with neophytadiene and phytol. The cigars from four origins were clearly classified by the PCA of VOCs. Four region discrimination functions were established through the LDA of 14 compounds, and the validation accuracy was 100%. The sensory descriptors with the highest geometric mean were woody, roasted, fresh-sweet, bean, and scorched. Acetophenone, megastigmatrienone A, and thunbergene were positively correlated with multiple aroma descriptors, while nicotine was negatively correlated with multiple aroma descriptors.
研究领域:
植物化学
·
食品科学
·
分析化学
✓ 已验证
DOI
PubMed
高影响因子
LWT-FOOD SCIENCE AND TECHNOLOGY
·
2023
·
IF 6
Zhichao Xiong,Wanzhen Feng,Dongzhou Xia,Jixin Zhang,Yuming Wei,Tiehan Li,Junlan Huang,Yujie Wang,Jingming Ning
The authenticity of the geographical origin of agricultural products has received widespread attention. Tea tree varieties, processing processes and origins influence the quality and price of raw pu-erh tea (RPT). This study distinguished RPT from 10 different production areas through headspace solid-phase microextraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) combined with orthogonal partial least squares–discriminant analysis (OPLS-DA) model and machine learning algorithms. Among the thirty-five types of common volatiles identified, pentanal, heptanal, naphthalene, cedrol, and 2,6-di- tert -butylbenzoquinone were considered the key differential compounds distinguishing the 10 different production areas of the RPT samples through the screening of variable importance in projection values of the OPLS-DA and coefficient weights of the linear discriminant analysis function. Among them, heptanal and 2,6-di- tert -butylbenzoquinone had the highest content in West of Bingdao and the lowest content in Nannuoshan. The random forest algorithm achieved a discrimination accuracy of 98.4% based on the discrimination of five key compounds in 63 RPT samples. The random forest model was demonstrated to be reliable and valid by using receiver operating characteristic curves (area under the curve = 0.7603). The study results serve as a reference for the differentiation of 10 production areas of RPT.
研究领域:
食品科学
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分析化学
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机器学习
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）