scholarly journals Screening of Quality Markers During the Processing of Reynoutria multiflora Based on the UHPLC-Q-Exactive Plus Orbitrap MS/MS Metabolomic Method

2021 ◽  
Vol 12 ◽  
Author(s):  
Junqi Bai ◽  
He Su ◽  
Youling Liang ◽  
Xuhua Shi ◽  
Juan Huang ◽  
...  
Keyword(s):  
High Performance ◽  
High Resolution Mass Spectrometry ◽  
Polygonum Multiflorum ◽  
Multivariate Statistical ◽  
Processing Times ◽  
Quality Markers ◽  
Q Exactive ◽  
Group 2 ◽  
Q Exactive Plus ◽  
Orbitrap Ms

The root of Reynoutria multiflora (Thunb.) Moldenke (syn: Polygonum multiflorum Thunb.) is a distinguished herb that has been popularly used in traditional Chinese medicine. The raw Reynoutria multiflora (RRM) should be processed by steaming before use, and the processing time is not specified in the processing specification. Our previous studies showed that the efficacy and toxicity of processed Reynoutria multiflora (PRM) at different processing times were inconsistent. A comprehensive identification method was established in this study to find a quality marker of raw Reynoutria multiflora (RRM) and processed Reynoutria multiflora (PRM) with different processing times. Metabolomics based on ultra-high-performance liquid chromatography tandem quadrupole/electrostatic field orbitrap high-resolution mass spectrometry (UHPLC-Q-Exactive plus orbitrap MS/MS) was used in this study. Using the CD.2 software processed database, multivariate statistical analysis methods coupled with cluster analysis and heatmap were implemented to distinguish between RRMs and PRMs with different processing times. The results showed that RRM and PRMs processed for 4, 8, 12, and 18 h cluster into group 1, and PRM processed for 24 and 32 h into group 2, indicating that it can effectively distinguish between the two groups and twenty potential markers, made the highest contributions to the observed chemical differences between two groups. Among them, tetrahydroxystilbene-O-hexoside-O-galloyl and sucrose can be used to identify PRM processed for 24 h. Therefore, the properties of RRM changed after 24 h of processing, and the quality markers were screened to distinguish RRM and PPM. It can also be used as an important control technology for the processing of RM, which has wide application prospects.

scholarly journals Comparative Research of Chemical Profiling in Different Parts of Fissistigma oldhamii by Ultra-High-Performance Liquid Chromatography Coupled with Hybrid Quadrupole-Orbitrap Mass Spectrometry

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 960
Author(s):  
Haibo Hu ◽  
Yau Lee-Fong ◽  
Jinnian Peng ◽  
Bin Hu ◽  
Jialin Li ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
High Performance Liquid Chromatography ◽  
Liquid Chromatography ◽  
High Performance ◽  
High Resolution Mass Spectrometry ◽  
Scientific Development ◽  
Multivariate Statistical ◽  
Accurate Identification ◽  
Orbitrap Mass Spectrometry ◽  
Q Exactive

The roots of Fissistigma oldhamii (FO) are widely used as medicine with the effect of dispelling wind and dampness, promoting blood circulation and relieving pains, and its fruits are considered delicious. However, Hakka people always utilize its above-ground parts as a famous folk medicine, Xiangteng, with significant differences from literatures. Studies of chemical composition showed there were multiple aristolactams that possessed high nephrotoxicity, pending evaluation research about their distribution in FO. In this study, a sensitive, selective, rapid and reliable method was established to comparatively perform qualitative and semi-quantitative analysis of the constituents in roots, stems, leaves, fruits and insect galls, using an Ultra-High-Performance Liquid Chromatography coupled with Hybrid Quadrupole Orbitrap Mass Spectrometry (UPLC-Q-Exactive Orbitrap MS, or Q-Exactive for short). To make more accurate identification and comparison of FO chemicals, all MS data were aligned and screened by XCMS, then their structures were elucidated according to MSn ion fragments between the detected and standards, published ones or these generated by MS fragmenter. A total of 79 compounds were identified, including 33 alkaloids, 29 flavonoids, 11 phenylpropanoids, etc. There were 54 common components in all five parts, while another 25 components were just detected in some parts. Six toxic aristolactams were detected in this experiment, including aristolactam AII, AIIIa, BII, BIII, FI and FII, of which the relative contents in above-ground stems were much higher than roots. Meanwhile, multivariate statistical analysis was performed and showed significant differences both in type and content of the ingredients within all FO parts. The results implied that above-ground FO parts should be carefully valued for oral administration and eating fruits. This study demonstrated that the high-resolution mass spectrometry coupled with multivariate statistical methods was a powerful tool in compound analysis of complicated herbal extracts, and the results provide the basis for its further application, scientific development of quality standard and utilization.

scholarly journals High-Throughput Identification of Organic Compounds from Polygoni Multiflori Radix Praeparata (Zhiheshouwu) by UHPLC-Q-Exactive Orbitrap-MS

Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 3977
Author(s):  
Shaoyun Wang ◽  
Xiaozhu Sun ◽  
Shuo An ◽  
Fang Sang ◽  
Yunli Zhao ◽  
...  
Keyword(s):  
High Performance ◽  
Chemical Constituents ◽  
Water Extract ◽  
Ethanol Extract ◽  
In Vivo Studies ◽  
Polygonum Multiflorum ◽  
Q Exactive ◽  
Orbitrap Ms

Polygoni Multiflori Radix Praeparata (PMRP), as the processed product of tuberous roots of Polygonum multiflorum Thunb., is one of the most famous traditional Chinese medicines, with a long history. However, in recent years, liver adverse reactions linked to PMRP have been frequently reported. Our work attempted to investigate the chemical constituents of PMRP for clinical research and safe medication. In this study, an effective and rapid method was established to separate and characterize the constituents in PMRP by combining ultra-high performance liquid chromatography with hybrid quadrupole-orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap-MS). Based on the accurate mass measurements for molecular and characteristic fragment ions, a total of 103 compounds, including 24 anthraquinones, 21 stilbenes, 15 phenolic acids, 14 flavones, and 29 other compounds were identified or tentatively characterized. Forty-eight compounds were tentatively characterized from PMRP for the first time, and their fragmentation behaviors were summarized. There were 101 components in PMRP ethanol extract (PMRPE) and 91 components in PMRP water extract (PMRPW). Simultaneously, the peak areas of several potential xenobiotic components were compared in the detection, which showed that PMRPE has a higher content of anthraquinones and stilbenes. The obtained results can be used in pharmacological and toxicological research and provided useful information for further in vitro and in vivo studies.

scholarly journals Dyeing process and mechanism of eucalyptus veneer with Pterocarpus macrocarpus Kurz heartwood pigment as natural dye

BioResources ◽  
2020 ◽  
Vol 15 (4) ◽  
pp. 8925-8943
Author(s):  
Qingshuo Zhang ◽  
Liuming Wei ◽  
Yutong Yang ◽  
Chan Luo ◽  
Zhu Zhu ◽  
...  
Keyword(s):  
High Performance ◽  
High Resolution Mass Spectrometry ◽  
Physical Adsorption ◽  
Natural Dye ◽  
Synthetic Dyes ◽  
Research Technology ◽  
Dyeing Process ◽  
Q Exactive ◽  
Main Components ◽  
Orbitrap Ms

To make full use of the processing residues of Pterocarpus macrocarpus Kurz and reduce the environmental pollution caused by synthetic dyes, natural dye was extracted from Dalbergia bariensis Pierre heartwood. The purpose of the work was to prepare natural dyes of Pterocarpus macrocarpus and identify the key color-producing components to better explore the mechanisms of combination between dyes and eucalyptus veneers. The main components of Pterocarpus macrocarpus heartwood were analyzed by ultra-high performance liquid chromatography with quadrupole-electrostatic field Orbitrap high resolution-mass spectrometry (UPLC-Q-EXACTIVE Orbitrap-MS). The best dyeing process and color fastness were measured. Research technology combining Fourier transform infrared spectroscopy (FTIR) and field emission scanning electron microscopy (FESEM) was used to explore the binding mechanism between eucalyptus veneers and dyestuffs. The UPLC-Q-EXACTIVE Orbitrap-MS results showed 16 flavonoids. The optimal dyeing process parameters of eucalyptus veneer were a 90 °C dyeing temperature, 12 h dyeing time, 4 wt% pigment, and 2 wt% NaCl. The FTIR and FESM results revealed that the dyeing was mainly achieved by physical adsorption and intermolecular hydrogen bonding.

scholarly journals Undeclared (Poly)phosphates Detection in Food of Animal Origin as a Potential Tool toward Fraud Prevention

Foods ◽  
2021 ◽  
Vol 10 (7) ◽  
pp. 1547
Author(s):  
Radmila Pavlovic ◽  
Federica Di Cesare ◽  
Francesca Longo ◽  
Franco Abballe ◽  
Sara Panseri ◽  
...  
Keyword(s):  
High Performance ◽  
High Resolution Mass Spectrometry ◽  
Exchange Chromatography ◽  
Animal Origin ◽  
Food Of Animal Origin ◽  
Conductometric Detection ◽  
Q Exactive ◽  
Phosphate Treatment ◽  
Potential Tool ◽  
Vulnerable Population Groups

(Poly)phosphates are approved as water-preserving and emulsifying agents that improve the appearance and consistency of many food products. The labelling of added (poly)phosphates is essential for protecting vulnerable population groups and to prevent unfair trade practices resulting in economic fraud. The problems with (poly)phosphates’ utilisation concerns both analytical and legislative issues, such as: (1) their straightforward detection; (2) excessive addition altering freshness perception and misleading consumers; (3) uncontrolled usage increasing foodstuff weight; (4) application in products where they are not permitted; and (5) no indication on the label. Bearing all these issues in mind, the main purpose of this study was the quantification and screening of the (poly)phosphates profile in meat, marine and dairy products (160 samples), of which 43 were without declared (poly)phosphate treatment. Analysis was completed by high-performance ion-exchange chromatography either with conductometric detection or coupled to Q-Exactive Orbitrap high-resolution mass spectrometry. Although the (poly)phosphates profiles varied greatly according to species and processing type, the following criteria for detection of illicit treatment were established: high orthophosphate level, quantified short-chain (poly)phosphate anions and the presence of long-chain forms. In conclusion, the instrumental platforms used in this study can be recommended to inspection bodies as reliable methods for the detection of food adulteration with (poly)phosphates.

scholarly journals Lipidomics Analysis Indicates Disturbed Hepatocellular Lipid Metabolism in Reynoutria multiflora-Induced Idiosyncratic Liver Injury

2020 ◽  
Vol 11 ◽  
Author(s):  
Xiaofang Wu ◽  
Yating Zhang ◽  
Jiaqi Qiu ◽  
Ya Xu ◽  
Jing Zhang ◽  
...  
Keyword(s):  
Lipid Metabolism ◽  
Liver Injury ◽  
Rat Liver ◽  
High Performance ◽  
Phospholipid Metabolism ◽  
Polygonum Multiflorum ◽  
Drug Induced ◽  
Metabolic Characteristics ◽  
Lipid Biomarker ◽  
Q Exactive

The root of Reynoutria multiflora (Thunb.) Moldenke (syn.: Polygonum multiflorum Thunb., HSW) is a distinguished herb that has been popularly used in traditional Chinese medicine (TCM). Evidence of its potential side effect on liver injury has accumulated and received much attention. The objective of this study was to profile the metabolic characteristics of lipids in injured liver of rats induced by HSW and to find out potential lipid biomarkers of toxic consequence. A lipopolysaccharide (LPS)-induced rat model of idiosyncratic drug-induced liver injury (IDILI) was constructed and evident liver injury caused by HSW was confirmed based on the combination of biochemical, morphological, and functional tests. A lipidomics method was developed for the first time to investigate the alteration of lipid metabolism in HSW-induced IDILI rat liver by using ultra-high-performance liquid chromatography/Q-exactive Orbitrap mass spectrometry coupled with multivariate analysis. A total of 202 characterized lipids, including phosphatidylcholine (PC), lysophosphatidylcholine (LPC), phosphatidylethanolamine (PE), lysophosphatidylethanolamine (LPE), sphingomyelin (SM), phosphatidylinositol (PI), lysophosphatidylinositol (LPI), phosphatidylserine (PS), phosphoglycerols (PG), and ceramide (Cer), were compared among groups of LPS and LPS + HSW. A total of 14 out 26 LPC, 22 out of 47 PC, 19 out of 29 LPE, 16 out of 36 PE, and 10 out of 15 PI species were increased in HSW-treated rat liver, which indicated that HSW may cause liver damage via interfering the phospholipid metabolism. The present work may assist lipid biomarker development of HSW-induced DILI and it also provide new insights into the relationships between phospholipid perturbation and herbal-induced idiosyncratic DILI.

scholarly journals Chemical Differentiation and Quantitative Analysis of Different Types of Panax Genus Stem-Leaf Based on a UPLC-Q-Exactive Orbitrap/MS Combined with Multivariate Statistical Analysis Approach

2018 ◽  
Vol 2018 ◽  
pp. 1-16 ◽  
Author(s):  
Lele Li ◽  
Yang Wang ◽  
Yang Xiu ◽  
Shuying Liu
Keyword(s):  
Quantitative Methods ◽  
Principal Component ◽  
American Ginseng ◽  
Multivariate Statistical ◽  
Different Types ◽  
Q Exactive ◽  
Full Scan ◽  
Scan Data ◽  
Stem Leaf ◽  
Orbitrap Ms

Two quantitative methods (−ESI full scan and −ESI PRM MS) were developed to analyze ginsenosides in ginseng stem-leaf by using UPLC-Q-Exactive Orbitrap/MS. By means of −ESI PRM MS method, the contents of eighteen ginsenosides in Asian ginseng stem-leaf (ASGSL) and American ginseng stem-leaf (AMGSL) were analyzed. The principal component analysis (PCA) model was built to discriminate Asian ginseng stem-leaf (ASGSL) from American ginseng stem-leaf (AMGSL) based on −ESI PRM MS data, and six ginsenosides (F11, Rf, R2, F1, Rb1, and Rb3) were obtained as the markers. To further explore the differences between cultivated ginseng stem-leaf and forest ginseng stem-leaf, the partial least squares-discriminant analysis (PLS-DA) model was built based on −ESI full scan data. And twenty-six markers were selected to discriminate cultivated ginseng stem-leaf (CGSL) from forest ginseng stem-leaf (FGSL). This study provides reliable and effective methods to quantify and discriminate among different types of ginseng stem-leaf in the commercial market.

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