MICROCHEMICAL JOURNAL
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2025
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IF 5.1
Xiangdong Qing,Xinran Wu,Taoxiang Wang,Xiaohua Zhang,Zhiyuan Hu,Xiaohong Zhou,Jie Luan,Rong An
In the work, a novel strategy was developed to characterize and classify Chinese dark tea based on alternating trilinear decomposition combined with uniform manifold approximation and projection (ATLD-UMAP). Firstly, nine active components as targeted analytes were selected to construct qualitative and quantitative models to investigate the performance of ATLD-UMAP analysis of 3D fluorescence data. Spiked sample sets demonstrated that satisfactory results were returned with their average recoveries ranging from (91.4 ± 9.7)% to (109.3 ± 1.5)%. Subsequently, ATLD-UMAP was employed to analyze the contents of analytes in 124 real dark tea samples, revealing the presence of eight active components other than tryptophan with their average contents ranging from 0.22 mg·g −1 to 57.69 mg·g −1 . Finally, ATLD-UMAP was applied to discriminate tea samples produced from different geographical origins and processing depths, and compared with the targeted-based feature component analysis (ATLD-FCA) and the nontargeted-based principal component analysis (ATLD-PCA). The research findings demonstrated that ATLD-UMAP achieved satisfactory classification results (100.0 % accuracy, sensitivity and specificity) in simultaneously identifying dark tea's geographical origin and processing depth. In contrast, ATLD-FCA and ATLD-PCA failed to distinguish them accurately with accuracies of only 68.5 % and 64.8 %, respectively. In a word, ATLD-UMAP provides a new method for rapid authenticity identification in the dark tea industry.
研究领域:
分析化学
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食品科学
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化学计量学
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光谱学
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数据分析
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
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2023
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IF 4.1
Keyuan Pu,Yue Wang,Huiwen Wei,Jun Hu,Jiamin Qiu,Siyu Chen,Qian Liu,Yan Lin,Kwan-Ming Ng
BACKGROUND The commercial value of red wine is strongly linked to its geographical origin. Given the large global market, there is great demand for high-throughput screening methods to authenticate the geographical source of red wine. However, only limited techniques have been established up to now. RESULTS Herein, a sensitive and robust method, namely probe electrospray ionization mass spectrometry (μ-PESI-MS), was established to achieve rapid analysis at approximately 1.2 min per sample without any pretreatment. A scotch near the needle tip provides a fixed micro-volume for each analysis to achieve satisfactory ion signal reproducibility (RSD < 26.7%). In combination with a machine learning algorithm, 16 characteristic ions were discovered from thousands of detected ions and were utilized for differentiating red wine origin. Among them, the relative abundances of two characteristic metabolites (trigonelline and proline) correlated with geographical conditions (sun exposure and water stress) were identified, providing the rationale for differentiation of the geographical origin. CONCLUSION The proposed μ-PESI-MS-based method demonstrates a promising high-throughput determination capability in red wine traceability.
研究领域:
食品科学
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分析化学
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机器学习
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产品关联
DOI
PubMed
高影响因子
BIOMEDICAL CHROMATOGRAPHY
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2019
·Vol. 33
·期 9
·e4555
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IF 1.748
Ke-ke Cui,Yue-ting Cao,Jia-feng Shao,Zheng-yu Lu,Long-hu Wang
Bufadienolides are the main bioactive components of Venenum Bufonis (VB) and have been widely used to treat different types of human cancers for decades. The bufadienolide content in VB varies significantly in materials from different geographical origins. In this work, a new strategy for the quality assessment of VB was developed through quantitative analysis of multi-components by single marker (QAMS). Cinobufagin was selected as the internal reference substance; seven bufadienolides were separated and simultaneously determined based on relative correction factors. The correlation coefficient value ( r ≥ 0.9936) between QAMS and the normal external standard method proved the consistency of the two methods. According to the outcomes of 30 batches of VB samples, the contents of the seven bufadienolides were used for further chemometric analysis. All of the samples of VB from various geographical origins were divided into three categories based on hierarchical cluster analysis and radar plot, which indicated the crucial influence of geographical origins on VB. This study showed that QAMS combined with chemometristry could be used to comprehensively evaluate and effectively control the quality of VB from different geographical origins.
研究领域:
药理学
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分析化学
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中药学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
FOOD CHEMISTRY
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2025
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IF 9.8
Jiaxin Wang,Jinlong Tian,Qilin Tian,Dongnan Li,Ningxuan Gao,Xuefeng Yang,Liang Wang,Ying He,Bin Li,Li Wang
In this study, the metabolite differences and antioxidant and in vitro lipid-lowering activities of Vaccinium corymbosum “Lanmei 1” leaves from six different regions in China were evaluated. Integrated untargeted metabolomics and antioxidant assays identified Zhejiang-sourced leaves (ZJ-1) as optimal, demonstrating exceptional phenolic (267.72 mg/g), flavonoid (708.33 mg/g), and proanthocyanidin (422.81 mg/g) contents. Metabolomic profiling detected 1968 compounds, with flavonoid derivatives driving ZJ-1's superior antioxidant capacity. In cellular hyperlipidemia models, ZJ-1 extract exhibited dose-dependent lipid clearance, while pancreatic lipase (PL) inhibition assays revealed an IC 50 of 6.054 mg/mL versus orlistat (0.3518 mg/mL). Molecular docking confirmed stronger binding affinities of ZJ-1's primary constituents—chlorogenic acid (−9.758 kcal/mol) and quercetin (−9.192 kcal/mol)—to PL catalytic residues compared to orlistat (−5.271 kcal/mol). These results establish blueberry leaves as dual-functional antioxidant-hypolipidemic resources, with geographic origin critically modulating phytochemical profiles. This research advances the application of underutilized leaf biomass for nutritional healthcare.
研究领域:
植物学
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食品科学
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药理学
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生物化学
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营养学
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计算生物学
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产品关联
DOI
PubMed
高影响因子
MICROCHEMICAL JOURNAL
·
2024
·
IF 4.9
Xintian Wang,Hengye Chen,Yao Fan,Wei Lan,Juan He,Haiyan Fu,Xiaolong Yang
The economic and medicinal value of Atractylodis Rhizoma (AR) is intricately tied to its geographical origin and mainly depends on the atractylodin (IUPAC Name: 2-[(1E,7E)-nona-1,7-dien-3,5-diynyl]furan) content in it. In this study, a green fluorescent sensor using N-acetyl-L-cysteine (NAC, IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid)-capped CdTe quantum dots (QDs) was developed for the detection of AR origin discrimination. Both electron transfer and internal filtration effects was introduced into sensor to improve the sensitivity and selectivity. The sensors can achieve visual quantitative analysis of atractylodin using the partial least squares regression (PLSR) model. This model with a detection limit of 0.321 µg /mL and the quantification range of 0.002–0.030 mg /mL. Furthermore, the visual sensor also could be applied to the quantification of atractylodin in the actual AR samples with recoveries as high as 95.36 % to 105 %. Their sensor was also able to identify different origin of AR with an accuracy of 100 % for the training set and 95.29 % for the prediction set using the Partial Least Squares Discriminant Analysis (PLSDA) model. The method offers direction for verifying the authenticity of traditional Chinese medicine and precise analysis of intended constituents in complex systems.
研究领域:
分析化学
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药学
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中药学
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光谱学
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材料科学
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产品关联
DOI
高影响因子
INDUSTRIAL CROPS AND PRODUCTS
·
2025
·
IF 6.2
Zhenzhen Xue,Jiaqi Hu,Zhixian Jing,Xiaobo Zhang,Jian Yang,Hua Li,Weihao Wang,Fajun Chen,Huasheng Peng,Bin Yang
Because producing area is one of important parameters affecting the quality of industrial products, geographic discrimination of industrial products becomes important. The use of strontium isotope ratio ( 87 Sr/ 86 Sr), a key geochemical tracer, to establish geographic discrimination model is in the ascendant. In the present work, a geographic discrimination model based on 87 Sr/ 86 Sr for Magnoliae Officinalis Cortex (MOC), a traditional Chinese medicine (TCM), was established and was applied to trace the geographic origin of MOC relic in imperial pharmacy of Qing Dynasty for the first time. The value of 87 Sr/ 86 Sr was measured using a multi-collector inductively coupled plasma mass spectrometer, by which the variabilities of 87 Sr/ 86 Sr were compared among different types of plants, different parts of the same plant, and different depths of soil to offer a reliable methodology. A reference map of 87 Sr/ 86 Sr was drawn containing 143 MOC samples data collected from 23 areas by empirical Bayesian kriging. As a result, regional difference on 87 Sr/ 86 Sr was observed from both of plant and soil samples, and no significant differences were observed for different types of plants or for different parts of the same plant in same geographic area. The 87 Sr/ 86 Sr of MOC reflected well to the bioavailable 87 Sr/ 86 Sr of soils at depths of 0–10 cm and 20–30 cm. The reference map of 87 Sr/ 86 Sr based on MOC data was successfully established with good predictive ability, from which the MOC relic was suggested to come from Hubei and Sichuan, and the result was further supported by the evidence from local chronicles in Qing Dynasty. This study extends the application of 87 Sr/ 86 Sr for provenance of TCM relics, providing direct evidence for the geographic origin of Dao-di herbs.
研究领域:
地球化学
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考古地球化学
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药学
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同位素分析
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来源鉴定
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中医药学
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环境科学
✓ 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）