Application of alternating trilinear decomposition-assisted multivariate curve resolution to gas chromatography-mass spectrometric data for the quantification of polycyclic aromatic hydrocarbons in aerosols

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.

Rapid determination of sulfamethoxazole and trimethoprim illegally added into health products using excitation-emission matrix fluorescence coupled with second-order calibration method

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...

Comparison of the performances of several commonly used algorithms for second-order calibration

The present study compared six commonly used algorithms, namely, alternating trilinear decomposition (ATLD), self-weighted alternating trilinear decomposition (SWATLD), alternating coupled two unequal residual functions (ACTUF), parallel factor analysis (PARAFAC), damped Gauss-Newton (dGN) and algorithm combination methodology (ACM).