Chemometrics for comprehensive analysis of nucleobases, nucleosides, and nucleotides in Siraitiae Fructus by hydrophilic interaction ultra high performance liquid chromatography coupled with triple‐quadrupole linear ion‐trap tandem mass spectrometry

Abstract

A rapid and sensitive hydrophilic interaction ultra high performance liquid chromatography coupled with triple-quadrupole linear ion-trap tandem mass spectrometry method was validated for the simultaneous determination of 20 nucleobases, nucleosides, and nucleotides (within 3.5 min), and then was employed to test the functional food of Luo-Han-Guo samples. The analysis showed that the Luo-Han-Guo was rich in guanosine and uridine, but contained trace levels of the other target compounds. Chemometrics methods were employed to identify 40 batches of Luo-Han-Guo samples from different cultivated forms, regions and varieties. Unsupervised hierarchical cluster analysis and principal component analysis were used to classify Luo-Han-Guo samples based on the level of the 20 target compounds, and the supervised learning method of counter propagation artificial neural network was utilized to further separate clusters and validate the established model. As a result, the samples could be clustered into three primary groups, in which correlation with cultivated varieties was observed. The present strategy could be applied to the investigation of other edible plants containing nucleobases, nucleosides, or nucleotides.

Comparative analysis of nucleosides, nucleobases, and amino acids in different parts of Angelicae Sinensis Radix by ultra high performance liquid chromatography coupled to triple quadrupole tandem mass spectrometry

“…TNN, average content of total nucleosides and nucleobases; TAA, average content of total amino acids; TA, average content of total analytes replacing a large number of variables with a new, smaller number of variables, namely principle components (PCs), which represented most of the original data [27]. In this study, the first three PCs accounted for 61.4, 15.6, and 8.7% of the total variance, respectively and simplified the multidimensional dataset to a three-dimensional dataset.…”

Recent applications of hydrophilic interaction liquid chromatography in pharmaceutical analysis

“…Nucleosides, nucleotides, and nucleobases, a group of highly active compounds, are involved in the regulation and modulation of various physiological processes in human body . As shown in Table , various natural product samples, including functional foods , medicinal plants , medicine and food dual purpose products , are containing nucleosides‐based compounds. It is clear that UAE is the common sample preparation method for compound extraction, and due to the high sensitivity and wide linear dynamic range for quantification, triple quadrupole MS (TQ‐MS) is frequently used for detection.…”

“…As the first report about simultaneous analysis of nucleosides and nucleobases in functional food using HILIC, 20 nucleosides and nucleobases in 48 batches of ginkgo seeds were quantified by BEH amide column . Later, the same BEH amide column was also used for simultaneously identify 20 nucleobases, nucleosides, and nucleotides in another plant origin functional food, Siraitiae Fructus (Luo‐Han‐Guo) . Both of the research works realized rapid, simple, and sensitive analysis, the LOD and LOQ were achieved ppb level.…”

Analysis of the Effect of 60Co-γ Irradiation Sterilization Technology on the Chemical Composition of Saffron Using UPLC and UPLC/Q-TOF-MS

“…However, its effect on the quality and chemical composition of saffron is not well understood and demands research. Besides, chemometric methods were often employed to identify differences between batches [17–19]. In this study, we collected 10 batches of saffron samples and treated them with different irradiation doses to evaluate the effect on chemical composition of the samples.…”