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

Abstract

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.

Application of Tchebichef image moment method for simultaneous quantitative analysis of multiple components in B-vitamins

“…切比雪夫矩(Tchebichef moment)方法能够有效地处理噪声和重叠信号的影响, 具 有良好的多分辨性以及全局图像特征提取能力. 翟红 林课题组利用Tchebichef图像矩(Tchebichef image moment, TiM)方法实现了对复杂样品的定性定量分析, 在色谱 [17,18] 和光谱 [19,20] 分析中均有广泛应用. Wang 等 [21] 采用HPLC-PAD图谱结合Tchebichef图像矩方法 对14批蒲地蓝消炎片进行聚类分析, 建立了快速、准 确的中成药质量评价新方法.…”

The multi-resolution capability of Tchebichef moments and its applications to the analysis of fluorescence excitation-emission spectra

“…The optimal maximal moment orders were determined on the basis of the reconstruction errors [35,44] and quantification accuracy [33,34], making it a little cumbersome. Here, the combination of peak intensity ratio and efficiency of the separation of chemicals and scatterings was employed as a novel and convenient strategy for determination of optimal maximal moment orders, and recommended for further use.…”

“…As a family member of the discrete orthogonal moments, the Tchebichef moments have been applied for image compression applications [29], image watermarking [30], image classification [31] and image fusion [32]. Moreover, in our previous studies, the discrete Tchebichef moments have been successfully applied to quantitative/quantitative analysis on the basis of different kinds of three-dimensional (3D) spectra, such as: (1) the four target compounds in a traditional Chinese medicine named Sanqi Panax Notoginseng have been determined on the basis of HPLC-PAD 3D spectra even in the presence of overlapped peaks, unknown interferences and chromatographic drifts [33]; (2) the three active compounds in Qingrejiedu oral liquid have been quantified based on LC-MS 3D spectra, where some unknown components and noise signals existed [34]; (3) the five metabolites in table wines have been quantified from 1 H NMR selfconstructed (SC-3D) spectra that accompanied by peak shifts, overlapped signals and unknown interferences [35]; (4) the three compounds in mixture samples have been determined on the basis of NIR 3D spectra with temperature effect [36]; and (5) the quality assessment of traditional Chinese medicine using HPLC-PAD 3D spectra was carried out, and more accurate and reliable results have been obtained as compared with traditional analysis method [37]. In our opinion, it is owing to the multi-resolution capability that the information of interferences and chemicals can be separated individually, making Tchebichef moment method less vulnerable to the interferences.…”