Nontargeted Metabolomic Analysis of Four Different Parts of Platycodon grandiflorum Grown in Northeast China

Abstract

Platycodonis radix is extensively used for treating cough, excessive phlegm, sore throat, bronchitis and asthma in the clinic. Meanwhile, the stems, leaves and seeds of Platycodon grandiflorum (PG) have some pharmaceutical activities such as anti-inflammation and anti-oxidation effects, etc. These effects must be caused by the different metabolites in various parts of herb. In order to profile the different parts of PG, the ultra-high performance liquid chromatography combined with quadrupole time-of- flight mass spectrometry (UPLC-QTOF-MSE) coupled with UNIFI platform and multivariate statistical analyses was used in this study. Consequently, for the constituent screening, 73, 42, 35, 44 compounds were characterized from the root, stem, leaf and seed, respectively. The stem, leaf and seed contain more flavonoids but few saponins that can be easily discriminated in the root. For the metabolomic analysis, 15, 5, 7, 11 robust biomarkers enabling the differentiation among root, stem, leaf and seed, were discovered. These biomarkers can be used for rapid identification of four different parts of PG grown in northeast China.

Comprehensive metabolomics analysis based on UPLC-Q/TOF-MSEand the anti-COPD effect of different parts ofCelastrus orbiculatusThunb.

“…Meanwhile, metabolites with VIP value > 4.0 and p-value < 0.001 were considered as potential chemical markers. 30,31 Futhermore, permutation test was also performed to provide a reference distribution with the R 2 /Q 2 values to indicate statistical signicance. Finally, the analysis results were shown in Simca 15.0 soware (Umetrics, Malmö, Sweden).…”

UPLC-QTOF/MS-Based Nontargeted Metabolomic Analysis of Mountain- and Garden-Cultivated Ginseng of Different Ages in Northeast China

“…Main parameters were set as follows: peak intensity of high energy over 200 counts and the peak intensity of low energy over 1000 counts were the selected parameters in peak detection; mass error up to ±10 ppm for identified compound; retention time tolerance was set in the range of ±0.1 min; positive adducts containing +H, +Na or negative adducts containing −H, +HCOOH were all selected; the reference compound was leucine-enkephalin (556.2766 for positive ion, 554.2620 for negative ion). The MS raw data were processed using the streamlined workflow of UNIFI software to quickly identify the chemical components that met the match criteria with the in-house Traditional Medicine Library and the self-built database [20,21].…”

“…To differentiate MCG and CG, MarkerLynx XS V4.1 software (Waters, Milford, DE, USA) was used to process the raw data by deconvolution, alignment, data reduction and to perform the multivariate statistical analysis [20,21]. The following steps were performed: acquiring data, creating a MarkerLynx processing method, processing the acquired data and viewing results Extended Statistics (XS) Viewer.…”

“…Such analysis was also applied to make metabolite profiling and age discrimination of 4-and 6-year-old red ginseng [17], or 1-6 years ginseng [18].In addition, UNIFI, the automated data processing software, is an integrated informatics platform that possesses the ability to incorporate scientific library into a streamlined workflow, aiming at identifying chemical components from complex raw data [19]. The combination of UPLC separation, Q/TOF-MS detection and UNIFI platform has been frequently applied in the characterization of chemical constituents of herbs [20,21].Normally, CG is harvested after a 4-6 years cultivation period, and MCG is collected at ages of 10-20 years. To develop a more direct and more efficient discrimination method for the cultivation ages and to explore potential age-dependent markers, we chose 4, 5, 6-year-old CG and 12, 20-year-old MCG as the analytical samples in the present study.…”

“…In addition, UNIFI, the automated data processing software, is an integrated informatics platform that possesses the ability to incorporate scientific library into a streamlined workflow, aiming at identifying chemical components from complex raw data [19]. The combination of UPLC separation, Q/TOF-MS detection and UNIFI platform has been frequently applied in the characterization of chemical constituents of herbs [20,21].…”