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

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.

[1]  Sim Heng Ong,et al.  Image Analysis by Tchebichef Moments , 2001, IEEE Trans. Image Process..

[2]  Bao Qiong Li,et al.  Fast determination of four active compounds in Sanqi Panax Notoginseng Injection samples by high-performance liquid chromatography with a chemometric method. , 2015, Journal of separation science.

[3]  Juan Ye,et al.  Gentiopicroside prevents interleukin-1 beta induced inflammation response in rat articular chondrocyte. , 2015, Journal of ethnopharmacology.

[4]  A. Olivieri Analytical figures of merit: from univariate to multiway calibration. , 2014, Chemical reviews.

[5]  R. Mukundan A New Class of Rotational Invariants Using Discrete Orthogonal Moments , 2004 .

[6]  J. Liaw,et al.  Effect of in vitro and in vivo aerosolized treatment with geniposide on tracheal permeability in ovalbumin-induced guinea pigs. , 2001, European journal of pharmacology.

[7]  Maria Jose Abad Martinez,et al.  Lignan and phenylpropanoid glycosides from Phillyrea latifolia and their in vitro anti-inflammatory activity. , 2001 .

[8]  Hong Lin Zhai,et al.  A fast and effective method of quantitative analysis of VB1, VB2 and VB6 in B-vitamins complex tablets based on three-dimensional fluorescence spectra , 2015 .

[9]  Wan-ying Wu,et al.  A dynamic multiple reaction monitoring method for the multiple components quantification of complex traditional Chinese medicine preparations: Niuhuang Shangqing pill as an example. , 2013, Journal of chromatography. A.

[10]  Ying Liu,et al.  An efficient approach to the quantitative analysis of humic acid in water. , 2016, Food chemistry.

[11]  R. Yu,et al.  Multi-targeted interference-free determination of ten β-blockers in human urine and plasma samples by alternating trilinear decomposition algorithm-assisted liquid chromatography-mass spectrometry in full scan mode: comparison with multiple reaction monitoring. , 2014, Analytica chimica acta.

[12]  Alejandro C Olivieri,et al.  Anthocyanins as markers for the classification of Argentinean wines according to botanical and geographical origin. Chemometric modeling of liquid chromatography-mass spectrometry data. , 2015, Food chemistry.

[13]  Hong Lin Zhai,et al.  The application of a Tchebichef moment method to the quantitative analysis of multiple compounds based on three-dimensional HPLC fingerprint spectra. , 2015, The Analyst.

[14]  K. S. Rajan,et al.  Validation of the LC-MS/MS method for the quantification of mevalonic acid in human plasma and determination of the matrix effect Published, JLR Papers in Press, July 21, 2006. , 2006, Journal of Lipid Research.

[15]  F. Peters,et al.  Screening for library-assisted identification and fully validated quantification of 22 beta-blockers in blood plasma by liquid chromatography-mass spectrometry with atmospheric pressure chemical ionization. , 2004, Journal of chromatography. A.

[16]  Wei-Hsien Wang,et al.  A generic and rapid strategy for determining trace multiresidues of sulfonamides in aquatic products by using an improved QuEChERS method and liquid chromatography-electrospray quadrupole tandem mass spectrometry. , 2015, Food chemistry.

[17]  Romà Tauler,et al.  Solving liquid chromatography mass spectrometry coelution problems in the analysis of environmental samples by multivariate curve resolution. , 2005, Journal of chromatography. A.

[18]  R. Aebersold,et al.  Selected reaction monitoring–based proteomics: workflows, potential, pitfalls and future directions , 2012, Nature Methods.

[19]  Xuelong Li,et al.  A local Tchebichef moments-based robust image watermarking , 2009, Signal Process..

[20]  D. Cocchi,et al.  Cross-Validation methods in regression problems , 2005 .

[21]  Jing Chen,et al.  A practical application of wavelet moment method on the quantitative analysis of Shuanghuanglian oral liquid based on three-dimensional fingerprint spectra. , 2014, Journal of chromatography. A.

[22]  J. Shao Linear Model Selection by Cross-validation , 1993 .

[23]  Romà Tauler,et al.  Alternative calibration approaches for LC-MS quantitative determination of coeluted compounds in complex environmental mixtures using multivariate curve resolution. , 2007, Analytica chimica acta.

[24]  Marc De Loose,et al.  Trends in quality in the analytical laboratory. II. Analytical method validation and quality assurance , 2004 .

[25]  W. Carmichael,et al.  LC/ESI/MS method development for the analysis of hepatotoxic cyclic peptide microcystins in animal tissues. , 2006, Toxicon : official journal of the International Society on Toxinology.

[26]  Bartek Rajwa,et al.  A numerical recipe for accurate image reconstruction from discrete orthogonal moments , 2007, Pattern Recognit..

[27]  A. Fernandez-Gutiérrez,et al.  Separation and determination of sterols in olive oil by HPLC-MS , 2007 .

[28]  R. Yu,et al.  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. , 2015, Journal of chromatography. A.

[29]  Iris F. F. Benzie,et al.  Urine 8-oxo-7,8-dihydro-2'-deoxyguanosine (8-oxodG), a specific marker of oxidative stress, using direct, isocratic LC-MS/MS: Method evaluation and application in study of biological variation in healthy adults. , 2010, Clinica chimica acta; international journal of clinical chemistry.

[30]  Wen Xu,et al.  Image analysis by discrete radial Tchebichef moments , 2010, 2010 Seventh International Conference on Fuzzy Systems and Knowledge Discovery.