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.

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 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 Study of Methanol Extracts from Different Parts of Peganum harmala L. Using 1H-NMR Plant Metabolomics

2018 ◽  
Vol 2018 ◽  
pp. 1-9 ◽  
Author(s):  
Yinping Li ◽  
Qing He ◽  
Shushan Du ◽  
Shanshan Guo ◽  
Zhufeng Geng ◽  
...  
Keyword(s):  
Univariate Analysis ◽  
Principal Component ◽  
Peganum Harmala ◽  
Multivariate Statistical ◽  
Methanol Extracts ◽  
Plant Metabolomics ◽  
Rational Development ◽  
Stem Leaf ◽  
Loading Plot ◽  
Different Parts

A nuclear magnetic resonance- (NMR-) based metabolomics method was used to identify differential metabolites of methanol extracts obtained from six parts of Peganum harmala L. (P. harmala), namely, the root, stem, leaf, flower, testa, and seed. Two multivariate statistical analysis methods, principal component analysis (PCA) and partial least squares-discriminant analysis (PLS-DA), were combined to clearly distinguish among the P. harmala samples from the six different parts. Eleven differential components were screened by the PLS-DA loading plot, and the relative contents were calculated by univariate analysis of variance. Chemometric results showed significant differences in the metabolites of the different parts of P. harmala. The seeds contained large amounts of harmaline, harmine, and vasicine compared to other organs. The acetic acid, proline, lysine, and sucrose contents of the roots were significantly higher than those of the other parts. In the testa, the vasicine, asparagine, choline, and 4-hydroxyisoleucine contents were clearly dominant. The obtained data revealed the distribution characteristics of the metabolomes of the different P. harmala parts and provided fundamental knowledge for the rational development of its medicinal parts.

Difference of Chemical Compositions in Fu Zheng Fang with Different Dosage Forms Based on HPLC-Q-Exactive Orbitrap/MS Combined with Multivariate Statistical Analysis

2020 ◽  
Vol 16 ◽  
Author(s):  
Yujiao Hua ◽  
Fen Xie ◽  
Shijun Zhou
Keyword(s):  
Statistical Analysis ◽  
Chinese Medicine ◽  
Multivariate Statistical Analysis ◽  
Chemical Compositions ◽  
Multivariate Statistical ◽  
Clear Cut ◽  
Medicine Prescription ◽  
Positive Mode ◽  
Q Exactive ◽  
Orbitrap Ms

Background: Fu Zheng Fang (FZF) is an important Chinese medicine prescription for tumor treatment in our hospital, which has two different types, traditional Chinese medicine (TCM) decoction pieces and TCM formula granules. Objective: To determine the effective composition of the drug FZF. Methods: In this research, FZF decoction pieces and FZF formula granules were collected and their composition determined by HPLC-Q-Exactive Orbitrap/MS, multivariate statistical analysis was applied to distinguish differential metabolite patterns between two groups. Results: A clear cut difference in the composition of the two groups was observed. 124 differential chemical compositions could be identified in positive mode, while 59 differential chemical compositions could be identified in negative mode. The differential chemical compositions were mainly concentrated in flavonoids, organic acids, fatty acids, amino acids compounds, and presenting different change rules, mainly involved in the flavonoid biosynthesis, flavone and flavonol biosynthesis two metabolic pathways. Conclusion: This study provides basic information that may be of use in the formulation of the drug of different dosages and their efficacy.

Statistical Analsysis to Evaluate Heavy Metal Pollution in the Air Obatained by Moss Technique in Hanoi and its Surrounding Region

2019 ◽  
Vol 29 (3SI) ◽  
pp. 411
Author(s):  
N. H. Quyet ◽  
Le Hong Khiem ◽  
V. D. Quan ◽  
T. T. T. My ◽  
M. V. Frontasieva ◽  
...  
Keyword(s):  
Heavy Metal ◽  
Statistical Analysis ◽  
Metal Pollution ◽  
Heavy Metal Pollution ◽  
Principal Component ◽  
Multivariate Statistical ◽  
Five Factors ◽  
Heavy Metal Elements ◽  
Surrounding Areas ◽  
Potential Pollution

The aim of this paper was the application of statistical analysis including principal component analysis to evaluate heavy metal pollution obtained by moss technique in the air of Ha Noi and its surrounding areas and to evaluate potential pollution sources. The concentrations of 33 heavy metal elements in 27 samples of Barbula Indica moss in the investigated region collected in December of 2016 in the investigated area have been examined using multivariate statistical analysis. Five factors explaining 80% of the total variance were identified and their potential sources have been discussed.

A Study on Utilization of Three-Dimensional Sensor Lip Image for Developing a Pronunciation Recognition System

2019 ◽  
Vol 63 (5) ◽  
pp. 50402-1-50402-9 ◽  
Author(s):  
Ing-Jr Ding ◽  
Chong-Min Ruan
Keyword(s):  
Principal Component Analysis ◽  
Automatic Speech Recognition ◽  
Feature Fusion ◽  
Three Dimensional ◽  
Principal Component ◽  
Recognition System ◽  
Geometrical Characteristics ◽  
3D Geometry ◽  
Different Types ◽  
The Disabled

Abstract The acoustic-based automatic speech recognition (ASR) technique has been a matured technique and widely seen to be used in numerous applications. However, acoustic-based ASR will not maintain a standard performance for the disabled group with an abnormal face, that is atypical eye or mouth geometrical characteristics. For governing this problem, this article develops a three-dimensional (3D) sensor lip image based pronunciation recognition system where the 3D sensor is efficiently used to acquire the action variations of the lip shapes of the pronunciation action from a speaker. In this work, two different types of 3D lip features for pronunciation recognition are presented, 3D-(x, y, z) coordinate lip feature and 3D geometry lip feature parameters. For the 3D-(x, y, z) coordinate lip feature design, 18 location points, each of which has 3D-sized coordinates, around the outer and inner lips are properly defined. In the design of 3D geometry lip features, eight types of features considering the geometrical space characteristics of the inner lip are developed. In addition, feature fusion to combine both 3D-(x, y, z) coordinate and 3D geometry lip features is further considered. The presented 3D sensor lip image based feature evaluated the performance and effectiveness using the principal component analysis based classification calculation approach. Experimental results on pronunciation recognition of two different datasets, Mandarin syllables and Mandarin phrases, demonstrate the competitive performance of the presented 3D sensor lip image based pronunciation recognition system.

It is better an approximate answer to the right question than the exact answer to the wrong question : the case of the psychometric analysis of the ASQ:SE

2020 ◽  
Author(s):  
Luis Anunciacao ◽  
janet squires ◽  
J. Landeira-Fernandez
Keyword(s):  
Internal Structure ◽  
Statistical Methods ◽  
Principal Component ◽  
Psychological Theory ◽  
Published Data ◽  
Multivariate Statistical ◽  
Exact Answer ◽  
Wide Range ◽  
Ages And Stages Questionnaire ◽  
The Right

One of the main activities in psychometrics is to analyze the internal structure of a test. Multivariate statistical methods, including Exploratory Factor analysis (EFA) and Principal Component Analysis (PCA) are frequently used to do this, but the growth of Network Analysis (NA) places this method as a promising candidate. The results obtained by these methods are of valuable interest, as they not only produce evidence to explore if the test is measuring its intended construct, but also to deal with the substantive theory that motivated the test development. However, these different statistical methods come up with different answers, providing the basis for different analytical and theoretical strategies when one needs to choose a solution. In this study, we took advantage of a large volume of published data (n = 22,331) obtained by the Ages and Stages Questionnaire Social-Emotional (ASQ:SE), and formed a subset of 500 children to present and discuss alternative psychometric solutions to its internal structure, and also to its subjacent theory. The analyses were based on a polychoric matrix, the number of factors to retain followed several well-known rules of thumb, and a wide range of exploratory methods was fitted to the data, including EFA, PCA, and NA. The statistical outcomes were divergent, varying from 1 to 6 domains, allowing a flexible interpretation of the results. We argue that the use of statistical methods in the absence of a well-grounded psychological theory has limited applications, despite its appeal. All data and codes are available at https://osf.io/z6gwv/.

Synthesis and Herbicidal Activities of Novel Thiazole PPO Inhibitors

2020 ◽  
Vol 17 (2) ◽  
pp. 192-198
Author(s):  
Shu Chen ◽  
Guihua Ren ◽  
Dan Pei ◽  
Fan Zhang ◽  
Jie Liu ◽  
...  
Keyword(s):  
Petri Dish ◽  
Amaranthus Retroflexus ◽  
Inhibition Rate ◽  
Culture Dish ◽  
Protoporphyrinogen Oxidase ◽  
Nitrobenzoic Acid ◽  
Different Types ◽  
Key Enzyme ◽  
Stem Leaf ◽  
Spray Treatment

Background: Protoporphyrinogen oxidase (PPO, EC 1.3.3.4) is a key enzyme in the biosynthesis of chlorophyll and heme, also the target of different types of herbicides. Thiazole compounds shown excellent biological activity, can be designed by using active groups docking for new PPO inhibitors. Objective: The objective of this study was to synthsize a series of aryl thiazole compounds as PPO inhibitors. Methods: In this study, a series of aryl thiazole compounds derivatives 11a-l were obtained from 2- chloro-5-nitrobenzoic acid as the starting material via esterification, Iron powder reduction, diazotization, Hantzsch reaction and final acylation. All synthesized compounds have been tested for their herbicidal activities as a PPO inhibitors. Results: The Petri dish test indicated that all compounds exhibited good herbicidal activities at 200 mg/L using culture dish. And the post-emergence tests showed that at 150g.ai/ha on weed stem leaf spray treatment, some of the title compounds exhibited 80% inhibition rate against the dicotyledonou weeds Amaranthus retroflexus and Eclipta prostrate. Conclusion: Good activity was noted for some compounds that compounds 11a, 11b, 11c, 11g, 11h had 80% inhibition on stems and leaves of Amaranthus retroflexus at 150g.ai/ha.

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.

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