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

Molecules ◽  
2018 ◽  
Vol 24 (1) ◽  
pp. 33 ◽  
Author(s):  
Hailin Zhu ◽  
Hongqiang Lin ◽  
Jing Tan ◽  
Cuizhu Wang ◽  
Han Wang ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
Multivariate Statistical Analysis ◽  
Chemical Constituents ◽  
Octadecenoic Acid ◽  
Chemical Components ◽  
Metabolomic Analysis ◽  
Multivariate Statistical ◽  
Similar Chemical ◽  
Different Ages ◽  
First Time

Aiming at further systematically comparing the similarities and differences of the chemical components in ginseng of different ages, especially comparing the younger or the older and mountain-cultivated ginseng (MCG), 4, 5, 6-year-old cultivated ginseng (CG) and 12, 20-year-old MCG were chosen as the analytical samples in the present study. The combination of UPLC-QTOF-MSE, UNIFI platform and multivariate statistical analysis were developed to profile CGs and MCGs. By the screening analysis based on UNIFI, 126 chemical components with various structural types were characterized or tentatively identified from all the CG and MCG samples for the first time. The results showed that all the CG and MCG samples had the similar chemical composition, but there were significant differences in the contents of markers. By the metabolomic analysis based on multivariate statistical analysis, it was shown that CG4–6 years, MCG12 years and MCG20 years samples were obviously divided into three different groups, and a total of 17 potential age-dependent markers enabling differentiation among the three groups of samples were discovered. For differentiation from other two kinds of samples, there were four robust makers such as α-linolenic acid, 9-octadecenoic acid, linoleic acid and panaxydol for CG4–6 years, five robust makers including ginsenoside Re1, -Re2, -Rs1, malonylginsenoside Rb2 and isomer of malonylginsenoside Rb1 for MCG20 years, and two robust makers, 24-hydroxyoleanolic acid and palmitoleic acid, for MCG12 years were discovered, respectively. The proposed approach could be applied to directly distinguish MCG root ages, which is an important criterion for evaluating the quality of MCG. The results will provide the data for the further study on the chemical constituents of MCG.

scholarly journals Metabolomics Combined with Multivariate Statistical Analysis for Screening of Chemical Markers between Gentiana scabra and Gentiana rigescens

Molecules ◽  
2020 ◽  
Vol 25 (5) ◽  
pp. 1228
Author(s):  
Gaole Zhang ◽  
Yun Li ◽  
Wenlong Wei ◽  
Jiayuan Li ◽  
Haoju Li ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
Multivariate Statistical Analysis ◽  
High Performance ◽  
Ion Trap ◽  
Chemical Constituents ◽  
Chemical Components ◽  
Chemical Markers ◽  
Multivariate Statistical ◽  
Gentiana Scabra

Gentianae Radix et Rhizome (Longdan in Chinese, GRR) in Chinese Pharmacopoeia is derived from the dried roots and rhizomes of Gentiana scabra and G. rigescens, that have long been used for heat-clearing and damp-drying in the medicinal history of China. However, the characterization of the chemical components of two species and the screening of chemical markers still remain unsolved. In current research, the identification and characterization of chemical components of two species was performed using ultra-high-performance liquid chromatography (UHPLC) coupled with linear ion trap-Orbitrap (LTQ-Orbitrap) mass spectrometry. Subsequently, the chemical markers of two species were screened based on metabolomics and multivariate statistical analysis. In total, 87 chemical constituents were characterized in G. scabra (65 chemical constituents) and G. rigescens (51 chemical constituents), with 29 common chemical constituents being discovered. Thereafter, 11 differential characteristic components which could differentiate the two species were designated with orthogonal partial least squares discriminant analysis (OPLS-DA) and random forest (RF) iterative modeling. Finally, seven characteristic components identified as (+)-syringaresinol, lutonarin, trifloroside, 4-O-β-d-glu-trifloroside, 4″-O-β-d-glucopyranosy1-6′-O-(4-O-β-d-glucaffeoyl)-linearroside, macrophylloside a and scabraside were selected as the chemical markers for the recognition of two Gentiana species. It was implied that the results could distinguish the GRR derived from different botanical sources, and also be beneficial in the rational clinical use of GRR.

scholarly journals Comparison of Chemical Constituents in Pseudostellariae Radix with Different Dosage Forms Based on HPLC-Q-Exactive Orbitrap/MS Combined with Multivariate Statistical Analysis

2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Yujiao Hua ◽  
Xiaoyuan Liu ◽  
Fen Xie
Keyword(s):  
Statistical Analysis ◽  
Multivariate Statistical Analysis ◽  
Chemical Constituents ◽  
Isoquinoline Alkaloid ◽  
Dosage Forms ◽  
Chemical Compositions ◽  
Multivariate Statistical ◽  
Traditional Chinese Herbal Medicine ◽  
Q Exactive ◽  
Orbitrap Ms

Background. Pseudostellariae Radix (PR) is an important traditional Chinese herbal medicine with vast clinical consumptions, which has two different dosage forms, PR decoction pieces and PR formula granules. However, these two forms are bound to have an impact on the accumulation of the effective components in PR, so the effectiveness of clinical use cannot be guaranteed. Objective. To determine the effective composition of PR. Methods. In this research, PR decoction pieces and formula granules were collected, and their composition was detected by HPLC-Q-Exactive Orbitrap/MS; multivariate statistical analysis was used to distinguish differential metabolites between PR decoction pieces and formula granules. Results. A clear cut difference in the composition of the two groups was observed. 98 differential chemical constituents could be identified in the positive mode, while 52 differential chemical compositions could be identified in the negative mode. The differential chemical compositions were mainly concentrated in flavonoids, organic acids, fatty acids, and amino acids and present different change rules, mainly involved in the isoquinoline alkaloid biosynthesis metabolic pathways. Conclusions. This study provides basic information to reveal the influence law of different dosage forms on the metabolite synthesis and quality formation mechanism of PR.

scholarly journals Goniolimon dalmaticum Rchb. f. and G. tataricum (L.) Boiss. (Plumbaginaceae) in the Croatian Flora and their Distribution in the Balkan Peninsula

2016 ◽  
Vol 75 (2) ◽  
pp. 164-172 ◽  
Author(s):  
Uroš Buzurović ◽  
Sandro Bogdanović ◽  
Marjan Niketić ◽  
Gordana Tomović
Keyword(s):  
New Species ◽  
Statistical Analysis ◽  
Morphometric Analysis ◽  
Multivariate Statistical Analysis ◽  
Balkan Peninsula ◽  
Identification Key ◽  
Morphometric Study ◽  
Multivariate Statistical ◽  
First Time ◽  
A New Species

Abstract Goniolimon tataricum (L.) Boiss. is recognized as a new species for the Croatian flora. Besides G. dalmaticum Rchb. f., G. tataricum represents the second species of this genus in Croatia. To confirm the identity of G. tataricum as a new species, morphometric study and multivariate statistical analysis were performed on the data from four Croatian populations of G. dalmaticum and G. tataricum. Based on results of morphometric analysis, an identification key for these two species is provided. Data about distribution in the Balkan Peninsula, habitat and ecology of the newly-recorded species are also presented. Typification of G. dalmaticum was performed for the first time.

Multivariate statistical analysis of elements content in snow cover in Blagoveshchensk

2018 ◽  
Vol 52 (2) ◽  
pp. 15
Author(s):  
V. I. Radomskaya ◽  
D. V. Yusupov ◽  
L. М. Pavlova ◽  
А. G. Sеrgееvа ◽  
N. А. Bоrоdinа ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
Snow Cover ◽  
Multivariate Statistical Analysis ◽  
Multivariate Statistical

Multivariate Statistical Analysis Regarding the Formulation of Oxicam-Based Pharmaceutical Hydrogels

2017 ◽  
Vol 68 (4) ◽  
pp. 726-731
Author(s):  
Lenuta Maria Suta ◽  
Anca Tudor ◽  
Colette Roxana Sandulovici ◽  
Lavinia Stelea ◽  
Daniel Hadaruga ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
Multivariate Statistical Analysis ◽  
Pharmaceutical Formulations ◽  
Analysis Data ◽  
Multivariate Statistical ◽  
Predictive Variables ◽  
Rapid Release ◽  
Computational Data ◽  
Experimental Protocols ◽  
Formulation Factors

In this paper, it was analysed the influence of formulation factors over obtaining oxicam hydrogels, using the statistical analysis. Data analysis and predictive modeling by multivariate regression offers a large number of possible explanatory/predictive variables. Therefore, variable selection and dimension reduction is a major task for multivariate statistical analysis, especially for multivariate regressions. The statistical analysis and computational data processing of responses obtained from different pharmaceutical formulations, via different experimental protocols, lead to the optimization of the formulation process. It was found that the most suitable pharmaceutical formulations based on oxicams with the possibility of rapid release contained cyclodextrin, in particular 2-hydroxypropyl-b-cyclodextrin.

Isolation and HPLC Determination of the Chemical Components of Gentianella acuta (Michx.) Hulten

2018 ◽  
Vol 15 (1) ◽  
pp. 21-33
Author(s):  
Ying Wei ◽  
Yongqiao Liu ◽  
Yifan Hele ◽  
Weiwei Sun ◽  
Yang Wang ◽  
...  
Keyword(s):  
Medicinal Plant ◽  
High Speed ◽  
Chemical Constituents ◽  
Folk Medicine ◽  
Gradient Elution ◽  
Chemical Components ◽  
Isolation And Characterization ◽  
Major Chemical ◽  
Main Components ◽  
First Time

Background: Gentianella acuta (Michx.) Hulten is an important type of medicinal plant found in several Chinese provinces. It has been widely used in folk medicine to treat various illnesses. However, there is not enough detailed information about the chemical constituents of this plant or methods for their content determination. Objective: The focus of this work is the isolation and characterization of the major chemical constituents of Gentianella acuta, and developing an analytical method for their determination. Methods: The components of Gentianella acuta were isolated using (1) ethanol extraction and adsorption on macroporous resin. (2) and ethyl acetate extraction and high speed countercurrent chromatography. A HPLC-DAD method was developed using a C18 column and water-acetonitrile as the mobile phase. Based on compound polarities, both isocratic and gradient elution methods were developed. Results: A total of 29 compounds were isolated from this plant, of which 17 compounds were isolated from this genus for the first time. The main components in this plant were found to be xanthones. The HPLC-DAD method was developed and validated for their determination, and found to show good sensitivity and reliability. Conclusion: The results of this work add to the limited body of work available on this important medicinal plant. The findings will be useful for further investigation and development of Gentianella acuta for its valuable medicinal properties.

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