MICROCHEMICAL JOURNAL
·
2025
·
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
·
食品科学
·
化学计量学
·
光谱学
·
数据分析
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
·
2013
·
IF 2.487
Jian-Yao Wang,Hai-Long Wu,Yan-Mei Sun,Hui-Wen Gu,Zhi Liu,Ya-Juan Liu,Ru-Qin Yu
A novel strategy that combines the chemometrics method with high performance liquid chromatography with fluorescence detector (HPLC–FLD) was developed for the simultaneous determination of seven phenolic antioxidants in six kinds of oil samples. After a simple dilution step, oil samples can be directly injected into the detecting system and the data were measured in a short time with a chromatographic system operating in the gradient elution mode. Since the chromatographic and spectral peaks among interesting analytes and interferences were heavily overlapped, second-order calibration method based on alternating trilinear decomposition (ATLD) algorithm which fully exploiting the second-order advantage was adopted. Successful resolution was obtained in the presence of different matrix interferences in different oil samples, and the developed approach allows the quantification of the antioxidants at levels found in edible vegetable oils, without the necessity of applying either preconcentration or extraction steps, moreover, a column washing is also not required. Meanwhile, the effectiveness and reproducibility of the proposed method were also validated by some statistical parameters like root mean squared error of prediction (RMSEP), limits of detection (LOD) and relative standard deviation (RSD). Then the proposed method was compared with several commonly selected methods in sample preparation, elution time and LOD.
研究领域:
分析化学
·
食品科学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF CHROMATOGRAPHY A
·
2020
·
IF 4.049
Xiao-Hua Zhang,Qian Zhou,Zhi Liu,Xiang-Dong Qing,Jing-Jing Zheng,Shu-Ting Mu,Pan-Hua Liu
Retention time shifts in second-order calibration-assisted chromatographic analysis seriously impact the modeling and quantitative accuracies in complex systems. In this work, three second-order methods, i.e. alternating trilinear decomposition (ATLD) algorithm, multivariate curve resolution-alternating least squares (MCR-ALS), alternating trilinear decomposition-assisted multivariate curve resolution (ATLD-MCR), were compared their performance to process liquid chromatographic data in the presence of retention time shifts and overlapped peaks. Firstly, the validation samples contain five tea polyphenols at three concentrate levels within the calibration ranges, helped to understand, visualize and interpret these features of three second-order multivariate methods. Secondly, experimental data were studied concerning the determination of polyphenols in Chinese tea samples by HPLC-DAD. The results showed that all three second-order multivariate methods realized satisfactory quantification for five targeted analytes in Pu-Er ripe tea samples and Green tea samples even with the interference of slight retention time shifts, average recoveries were 91.23% –113.16% for ATLD, 89.96%–115.96% for ATLD-MCR, 90.64%–117.60% for MCR-ALS, respectively. However, ATLD was disappointing in the case of larger time shifts (approx. 4.00 s and 6.40 s) occurring for the quantitative analysis of Black tea and Clinacanthus nutans tea, the average recoveries were just 67.33–84.05%. Relatively, MCR-ALS and ATLD-MCR were more significantly excellent, satisfactory results still can be obtained, the average recoveries for MCR-ALS and ATLD-MCR were in the range of 86.04–117.60% and 89.96–115.96%, respectively.
研究领域:
分析化学
·
色谱学
·
食品科学
·
植物化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
·
2016
·
IF 2.217
Hui-Wen Gu,Hai-Long Wu,Shan-Shan Li,Xiao-Li Yin,Yong Hu,Hui Xia,Huan Fang,Ru-Qin Yu,Peng-Yuan Yang,Hao-Jie Lu
In this work, a rapid chemometrics-enhanced liquid chromatography–single stage mass spectrometry (LC–MS) was developed for the simultaneous green determination of six co-eluted sulfonylurea-type oral antidiabetic agents (SOADs) in health teas and human plasma samples. Shortening the chromatographic separation time and reducing the cost per analysis were achieved via using full scan mode of LC–MS under simple isocratic elution condition followed by an environment-friendly “mathematical separation” strategy. The problem of the complete separation of target analytes from each other and/or from the uncalibrated interferences in complex matrices was resolved by alternating trilinear decomposition (ATLD) method as a posteriori . Satisfactory qualitative and quantitative results were obtained even in the existence of unknown interferences and the “second-order advantage” was fully exploited. The average spiked recoveries for all target analytes were between 81.6% and 110.1% with standard deviations less than 7.7%. It was demonstrated that the proposed strategy could be promisingly used for green resolution and determination of co-eluted multi-analytes of interest in complex samples while avoiding elaborate sample pretreatment steps and complicated experimental conditions as well as more sophisticated high-cost instrumentations.
研究领域:
分析化学
·
药物分析
·
质谱分析
·
色谱分析
✓ 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）