Chemometrics-Assisted Fast-Elution HPLC–DAD for the Quantification of Selected UV Filters and Parabens in Suncare Formulations

2017 ◽  
Vol 100 (2) ◽  
pp. 377-386 ◽  
Author(s):  
Maryam Vosough ◽  
Nafiseh Shekari ◽  
Amir Salemi ◽  
Koorosh Tabar Heidar

Abstract In the present study, a fast LC method coupled with multivariate curve resolution (MCR) alternating least-squares (ALS) and alternating trilinear decomposition (ATLD) was developed for the determination of the resolution of and quantitation of benzophenone-3, 4-methylbenzylidene camphor, octocrylene, ethylhexyl dimethyl para-aminobenzoic acid, butyl methoxydibenzoilmethane, and methyl and propyl parabens in suncare products. Chromatographic separation was optimized using full factorial and Box–Behnken designs. MCR-ALS and ATLD performance in quantitating the analytes in synthetic mixtures (which were randomly prepared in ultra-pure water) andblank sunscreen products was studied, and satisfying results were obtained. Acceptable qualification and quantification results were also achieved in the presence of matrix interferences via a short chromatographic runtime (5 min), and the second-order advantage was fully exploited, with MCR-ALS clearly emerging as the superior model. Average recoveries ranged from 98.0 to 112.5%, and RSD values were lower than 6.5%. LODs between 0.066 and 0.243 μg/g were achieved. In addition to acceptable precision and accuracy, the merits of the proposed method are that the analysis is fast and there is minimal solvent consumption. Moreover, coelution of analytes and interference from components in the sample matrixes were overcome with multivariate analysis.

2021 ◽  
Vol 8 (8) ◽  
pp. 210458
Author(s):  
Xiangdong Qing ◽  
Xiaohong Zhou ◽  
Ling Xu ◽  
Jin Zhang ◽  
Yi Huang ◽  
...  

For the first time, alternating trilinear decomposition-assisted multivariate curve resolution (ATLD-MCR) was applied to analyse complex gas chromatography–mass spectrometric (GC-MS) data with severe baseline drifts, serious co-elution peaks and slight retention time shifts for the simultaneous identification and quantification of polycyclic aromatic hydrocarbons (PAHs) in aerosols. It was also compared with the classic multivariate curve resolution-alternating least-squares (MCR-ALS) and the GC-MS-based external standard method. In validation samples, average recoveries of five PAHs were within the range from (96.2 ± 6.8)% to (106.5 ± 4.1)% for ATLD-MCR, near to the results of MCR-ALS ((98.0 ± 1.5)% to (106.7 ± 4.3)%). In aerosol samples, the concentrations of pyrene provided by ATLD-MCR were not significantly different from those of MCR-ALS. The other four PAHs including chrysene, benzo[a]anthracene, fluoranthene and benzo[b]fluoranthene were not detected by ATLD-MCR and the GC-MS-based external standard method. The results of figures of merit further demonstrated that ATLD-MCR achieved high sensitivities (8.9 × 10 4 to 1.7 × 10 6 mAU ml µg −1 ) and low limits of detection (0.003 to 0.087 µg ml −1 ), which were better than or similar to MCR-ALS, presenting a great choice to deal with complex GC-MS data for the simultaneous determination of targeted PAHs in aerosols.


2021 ◽  
Author(s):  
Lu-Zhu Chen ◽  
Hai-Long Wu ◽  
WanJun Long ◽  
Tong Wang ◽  
Gao-Yan Tong ◽  
...  

In this work, a simple and fast analytical method based on self-weighted alternating trilinear decomposition (SWATLD) algorithm coupled with excitation-emission matrix (EEM) fluorescence was developed for the simultaneous determination of...


RSC Advances ◽  
2015 ◽  
Vol 5 (86) ◽  
pp. 70017-70024 ◽  
Author(s):  
Hadi Parastar ◽  
Hamidreza Shaye

The potentials of PLSR and MCR-ALS are evaluated for the simultaneous determination of diclofenac, naproxen, mefenamic acid and carbamazepine as target analytes and gemfibrozil as interference in synthetic and real environmental samples.


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