Comparison of three chemometric methods for processing HPLC-DAD data with time shifts: Simultaneous determination of ten molecular targeted anti-tumor drugs in different biological samples

Chang, Yue-Yue; Fang, Huan; Ouyang, Yang-Zi; Sun, Xiao-Dong; Tong, Gao-Yan; Ding, Yujie J.; Yu, Ru‐Qin

doi:10.1016/j.talanta.2020.121798

Cited by 17 publications

(2 citation statements)

References 30 publications

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“…ATLD-MCR achieves great success in dealing with three-way liquid chromatographic data with retention time shifts [11,21,22]. However, no study so far has demonstrated that ATLD-MCR can process complex GC-MS data with severe baseline drifts, overlapped peaks and retention time shifts.…”

Section: Introductionmentioning

confidence: 99%

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

Qing

Zhou

et al. 2021

R. Soc. open sci.

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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.

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Section: Introductionmentioning

confidence: 99%

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

Qing

Zhou

et al. 2021

R. Soc. open sci.

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“…Therefore, this article adopts a novel second‐order calibration algorithm called alternating trilinear decomposition‐assisted multivariate curve resolution (ATLD–MCR) to help handle nonlinear data. According to published literature, the ATLD–MCR shows the advantages of ATLD's short convergence time insensitive to initial values, as well as the ability of MCR‐alternating least squares to process non‐trilinear data accurately, therefore it shows the strong performance when dealing with three‐way chromatographic data with retention time shift and severe peak overlap [18].…”

Section: Introductionmentioning

confidence: 99%

Simultaneous determination of nine tyrosine kinase inhibitors in three complex biological matrices by using high‐performance liquid chromatography–diode array detection combined with a second‐order calibration method

Wang

Chang

Wei

et al. 2021

J of Separation Science

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An intelligent chemometric second‐order calibration method called alternating trilinear decomposition‐ assisted multivariate curve resolution combined with high‐performance liquid chromatography–diode array detection was used for the simultaneous quantification of nine tyrosine kinase inhibitors in three complex biological systems. The method allows simultaneous quantification of the components in different biological matrices without the need for cumbersome pre‐treatment steps, complex elution conditions, and complete peak separation. Even with the varying time shift, severe peak overlap, and various unknown interferences, the proposed method can extract pure chromatographic and spectroscopic information for each analyte, while providing accurate qualitative and quantitative results of nine common tyrosine kinase inhibitors in three different biological matrices. All the drugs were eluted in 7 min. The results showed that the nine drugs in each matrix showed good linearity (r > 0.984) in the calibration range with a root mean square error of calibration less than 0.9 μg/mL. The average spiked recoveries of the target analytes were all in the range of 83.4–110.0%, with standard deviations less than 9.0%. Finally, the classical method was used to validate the proposed method. In comparison to the traditional method, the proposed strategy is accuracy, simultaneous, and interference‐free.

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New application of trilinear decomposition model: Theory, data processing, and classical quantitative applications

Wu,

Wang,

2024

Data Handling in Science and Technology

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Comparison of three chemometric methods for processing HPLC-DAD data with time shifts: Simultaneous determination of ten molecular targeted anti-tumor drugs in different biological samples

Cited by 17 publications

References 30 publications

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

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

Simultaneous determination of nine tyrosine kinase inhibitors in three complex biological matrices by using high‐performance liquid chromatography–diode array detection combined with a second‐order calibration method

New application of trilinear decomposition model: Theory, data processing, and classical quantitative applications

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