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CHEMICAL PAPERS · 2022 ·Vol. 76 ·期 9 ·5819-5825 · IF 2.146

EEFM combined with N-PLS method for the quantitative determination of psoralen in cosmetics

Lin Yuan,Li Xin Kang,Yan Jia Ying,Lei Ying Lin,Chen Jing,Li Bao Qiong

A sample and effective approach for quantitative determination of the prohibited component named psoralen in cosmetics was proposed on the basis of emission-excitation fluorescence matrix (EEFM) coupled with N-PLS method. The standard samples were divided into the calibration set and prediction set; the N-PLS model was established on the calibration set and the predictive ability of the established model was validated by prediction set. In this regard, some statistical parameters and figures of merit, such as correlation coefficient of calibration ( \(R_{{\text{c}}}^{2}\) ) and prediction ( \(R_{{\text{p}}}^{2}\) ), root mean square error of calibration ( RMSEC ) and prediction ( RMSEP ), and recovery were investigated to evaluate the performance of proposed method. The N-PLS model developed on the EEFM showed \(R_{c}^{2}\) and \(R_{{\text{p}}}^{2}\) of 0.9951 and 0.9982, respectively, and showed RMSEC and RMSEP of 1.5636 and 2.7618, respectively, demonstrating the established model has good linearity and predictive ability. Moreover, the recovery rates in the range of 105.40–123.61% demonstrated that the proposed strategy has good accuracy. Finally, the established model applied to the real cosmetic samples showed that the psoralen was not detected, and the obtained results were in accordance with those of the validated gas chromatography method. The satisfactory results indicated that EEFM combined with the N-PLS method can be employed as a reliable tool for quality monitoring of cosmetic products.

研究领域: 分析化学 · 化妆品科学
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FOOD CHEMISTRY · 2019 · IF 5.399

The rapid quantitative analysis of three pesticides in cherry tomatoes and red grape samples with Tchebichef image moments

Shao Hua Lu,Sha Sha Li,Bo Yin,Jia Ying Mi,Hong Lin Zhai

Diverse interferences often affect the determination of pesticide residues in various kinds of food, and complex pretreatments are necessary. An effective approach for the simultaneous quantitative analysis of multi-target components in different substrates was proposed, and applied to the determination of ternary pesticides in cherry tomatoes and red grape samples. By means of HPLC-DAD, the spectra were obtained under isocratic elution. Utilizing the Tchebichef image moments, unified quantitative models were established for the three target components in the samples with two different substrates, respectively. The correlation coefficients of leave-one-out cross-validation ( R loo - c v 2 ) of the obtained models were more than 0.9975. The predictive correlation coefficients ( R p 2 ) were more than 0.9831. Compared with the N-PLS and MCR-ALS methods, the proposed approach is not only more accurate and reliable, but also can extract essential information and expected to be a potential tool to rapidly quantify multi-component in different substrates without complex pretreatments.

研究领域: 分析化学 · 食品科学 · 化学计量学
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