Solving signal instability to maintain the second-order advantage in the resolution and determination of multi-analytes in complex systems by modeling liquid chromatography–mass spectrometry data using alternating trilinear decomposition method assisted with piecewise direct standardization

Gu, Hui‐Wen; Yin, Xingtian; Li, Shanshan; Liu, Yajuan; Xia, Hui; Xie, Lexing; Yu, Ru‐Qin; Yang, Pengyuan; Lu, Haojie

doi:10.1016/j.chroma.2015.06.049

Cited by 11 publications

(2 citation statements)

References 75 publications

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“…The most important common reasons for impeding the applications of LC–MS are several problems including peak shifting and overlapping in separation , especially for complex samples. By means of chemometrics technologies, some studies on the analysis of complex samples based on LC–MS spectra had been reported, in which the alternating trilinear decomposition algorithm and multivariate curve resolution with alternating least‐squares were applied. Recently, as a novel strategy, several image moment methods have been applied successfully to the 3D spectra of HPLC coupled with photodiode array detection , excitation‐emission matrix fluorescence and obtained satisfactory results.…”

Section: Introductionmentioning

confidence: 99%

“…The most important common reasons for impeding the applications of LC-MS are several problems including peak shifting and overlapping in separation [12,13], especially for complex samples. By means of chemometrics technologies, some studies on the analysis of complex samples based on LC-MS spectra had been reported, in which the alternating trilinear decomposition algorithm [14,15] and multivariate…”

Section: Introductionmentioning

confidence: 99%

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Quantitative analysis of multiple components based on liquid chromatography with mass spectrometry in full scan mode

Wang

et al. 2016

J of Separation Science

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Although liquid chromatography with mass spectrometry in full scan mode can obtain all the signals simultaneously in a large range and low cost, it is rarely used in quantitative analysis due to several problems such as chromatographic drifts and peak overlap. In this paper, we propose a Tchebichef moment method for the simultaneous quantitative analysis of three active compounds in Qingrejiedu oral liquid based on three-dimensional spectra in full scan mode of liquid chromatography with mass spectrometry. After the Tchebichef moments were calculated directly from the spectra, the quantitative linear models for three active compounds were established by stepwise regression. All the correlation coefficients were more than 0.9978. The limits of detection and limits of quantitation were less than 0.11 and 0.49 μg/mL, respectively. The intra- and interday precisions were less than 6.54 and 9.47%, while the recovery ranged from 102.56 to 112.15%. Owing to the advantages of multi-resolution and inherent invariance properties, Tchebichef moments could provide favorable results even in the situation of peaks shifting and overlapping, unknown interferences and noise signals, so it could be applied to the analysis of three-dimensional spectra in full scan mode of liquid chromatography with mass spectrometry.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Quantitative analysis of multiple components based on liquid chromatography with mass spectrometry in full scan mode

Wang

et al. 2016

J of Separation Science

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Enhancing the selectivity of liquid chromatography–mass spectrometry by using trilinear decomposition on LC‐MS data: An application to three‐way calibration of coeluting analytes in human plasma

Yan

Liang

Zhou

et al. 2020

J of Separation Science

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The high selectivities of liquid chromatography and mass spectrometry make liquid chromatography–mass spectrometry one of the most popular tools for quantitative analysis in complex chemical, biological, and environmental systems, while the potential mathematical selectivity of liquid chromatography–mass spectrometry is rarely investigated. This work discussed the mathematical selectivity of liquid chromatography–mass spectrometry by three‐way calibration based on the trilinear model, with an application to quantitative analysis of coeluting aromatic amino acids in human plasma. By the trilinear decomposition of the constructed liquid chromatography–mass spectrometry‐sample trilinear model and individual regression of the decomposed relative intensity versus concentration, the proposed three‐way calibration method successfully achieved quantitative analysis of coeluting aromatic amino acids in human plasma, even in the presence of uncalibrated interferent(s) and a varying background. This analytical method can ease the requirements for sample preparation and complete chromatographic separation of components, reduce the use of organic solvents, decrease the time of chromatographic separation, and increase the peak capacity of liquid chromatography–mass spectrometry. As a “green analytical method”, the liquid chromatography–mass spectrometry three‐way calibration method can provide a promising tool for direct and fast quantitative analysis in complex systems containing uncalibrated spectral interferents, especially for the situation where the coelution problem is difficult to overcome.

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Chemometrics-enhanced full scan mode of liquid chromatography–mass spectrometry for the simultaneous determination of six co-eluted sulfonylurea-type oral antidiabetic agents in complex samples

Yin

et al. 2016

Chemometrics and Intelligent Laboratory Systems

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Solving signal instability to maintain the second-order advantage in the resolution and determination of multi-analytes in complex systems by modeling liquid chromatography–mass spectrometry data using alternating trilinear decomposition method assisted with piecewise direct standardization

Cited by 11 publications

References 75 publications

Quantitative analysis of multiple components based on liquid chromatography with mass spectrometry in full scan mode

Quantitative analysis of multiple components based on liquid chromatography with mass spectrometry in full scan mode

Enhancing the selectivity of liquid chromatography–mass spectrometry by using trilinear decomposition on LC‐MS data: An application to three‐way calibration of coeluting analytes in human plasma

Chemometrics-enhanced full scan mode of liquid chromatography–mass spectrometry for the simultaneous determination of six co-eluted sulfonylurea-type oral antidiabetic agents in complex samples

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