scholarly journals A Single Standard to Determine Multi-Components Method Coupled with Chemometric Methods for the Quantification, Evaluation and Classification of Notopterygii Rhizoma et Radix from Different Regions

Molecules ◽  
2019 ◽  
Vol 24 (19) ◽  
pp. 3574 ◽  
Author(s):  
Xie-An Yu ◽  
Jin Li ◽  
John Teye Azietaku ◽  
Wei Liu ◽  
Jun He ◽  
...  
Keyword(s):  
Discriminant Analysis ◽  
High Performance ◽  
Internal Standard ◽  
Chemical Markers ◽  
Accurate Identification ◽  
Flight Mass Spectrometry ◽  
Single Standard ◽  
Components Method ◽  
Fisher’S Discriminant Analysis

An ultra-high-performance liquid chromatography-quadrupole/time of flight mass spectrometry is used to identify 33 compounds in Notopterygii rhizoma and radix, after which a single standard to determine multi-components method is established for the simultaneous determination of 19 compounds in Notopterygii rhizoma and radix using chlorogenic acid and notopterol as the internal standard. To screen the potential chemical markers among Notopterygii rhizoma and radix planted in its natural germination area and in others, the quantitative data of 19 compounds are analyzed via partial least-squares discriminant analysis (PLS–DA). Depending on the variable importance parameters (VIP) value of PLS–DA, six compounds are selected to be the potential chemical markers for the discrimination of Notopterygii rhizoma and radix planted in the different regions. Furthermore, the Fisher’s discriminant analysis is used to build the models that are used to classify Notopterygii rhizoma and radix from the different regions based on the six chemical markers. Experimental results indicate that Notopterygii rhizoma and radix planted in the Sichuan province are distinguished successfully from those in other regions, reaching a 96.0% accuracy rating. Therefore, a single standard to determine multi-components method combined with a chemometrics method, which contains the advantages such as simple, rapid, economical and accurate identification, offers a new perspective for the quantification, evaluation and classification of Notopterygii rhizoma and radix from the different regions.

Classification of Encryption Algorithms using Fisher’s Discriminant Analysis

2016 ◽  
Vol 67 (1) ◽  
pp. 59 ◽  
Author(s):  
Prabhat Kumar Ray ◽  
Shrikant Ojha ◽  
Bimal Kumar Roy ◽  
Ayanendranath Basu
Keyword(s):  
Machine Learning ◽  
Discriminant Analysis ◽  
Block Cipher ◽  
Good Classification ◽  
Finite Set ◽  
Encryption Algorithms ◽  
Fisher’S Discriminant Analysis

<p>Fisher’s Discriminant Analysis (FDA) is a method used in statistics and machine learning which can often lead to good classification between several populations by maximizing the separation between the populations. We will present some applications of FDA that discriminate between cipher texts in terms of a finite set of encryption algorithms. Specifically, we use ten algorithms, five each of stream and block cipher types. Our results display good classification with some of the features. In the present case we have little in terms of an existing standard; however, our limited study clearly shows that further exploration of this issue could be worthwhile.</p>

Diagnostics of Mechanical Faults of Loudspeakers Using Principal Component Analysis and Fisher’s Discriminant Analysis

2011 ◽  
Author(s):  
Jaewon Choi ◽  
Michael D. Bryant
Keyword(s):  
Principal Component Analysis ◽  
Discriminant Analysis ◽  
Principal Component ◽  
Component Analysis ◽  
Fault Isolation ◽  
Model Based ◽  
Mechanical Faults ◽  
Fisher’S Discriminant Analysis ◽  
Baseline Estimation

This study illustrates a novel model based FDI method for the common mechanical faults arising during the manufacture of loudspeakers. To overcome the drawbacks of the conventional signal based approaches, the Bayesian classification of impulse responses based on a model based fault symptom database is proposed. The loudspeaker model is estimated via IRES and ARMA techniques. The fault symptom database is constructed with a novel nonlinear loudspeaker model. The performances of Principal Component Analysis (PCA) and Fisher’s Discriminant Analysis (FDA) are compared. The results show the effectiveness of the proposed method. It is also shown that the FDA based classifier performs better than PCA in terms of the accuracy and consistency of the healthy baseline estimation. However, the fault isolation is difficult due to the similarities of fault signatures.

Pharmacokinetics of Benzoic Acid, 4-[[(2-Hydroxyethyl)Amino]Carbonyl]- Methyl Ester from Portulaca Oleracea L. in Rats after Intravenous and Oral Administrations Using UHPLC-ESI-Q-TOF/MS

2020 ◽  
Vol 16 (5) ◽  
pp. 601-607
Author(s):  
Haoran Xu ◽  
Zheming Ying ◽  
Lina Wang ◽  
Wenjie Zhang ◽  
Xixiang Ying ◽  
...  
Keyword(s):  
Methyl Ester ◽  
Benzoic Acid ◽  
High Performance ◽  
Internal Standard ◽  
High Performance Liquid Chromatographic ◽  
Absolute Bioavailability ◽  
Pharmacokinetic Parameters ◽  
Pharmacokinetic Data ◽  
Flight Mass Spectrometry ◽  
Tof Ms

Objective: The aim of this study is to investigate the pharmacokinetics of benzoic acid, 4- [[(2-hydroxyethyl)amino]carbonyl], methyl ester in rats after intravenous and oral administrations at doses of 3 mL/kg. Methods: A rapid, high selective ultra-high performance liquid chromatographic electrospray quadrupole- time of flight mass spectrometry (UHPLC-ESI-Q-TOF/MS) method was applied to investigate the pharmacokinetics of benzoic acid, 4-[[(2-hydroxyethyl)amino]carbonyl]-, methyl ester with p-coumaric acid as internal standard (IS) in rats after intravenously and orally dosed. Results: The pharmacokinetic data of benzoic acid, 4-[[(2-hydroxyethyl)amino]carbonyl]-, methyl ester was analyzed in the two-compartment open model. The main pharmacokinetic parameters were, respectively, 36.474 μg·h/mL, 12.59 μg·h/mL (AUC0→∞), and T1/2α was 0.14 h, 0.359 h; T1/2β was 3.046 h, 5.646 h after intravenous and oral administrations. Conclusion: Benzoic acid, 4-[[(2-hydroxyethyl)amino] carbonyl]-, methyl ester was rapidly distributed in rat’s plasma with the absolute bioavailability of 34.5%.

scholarly journals A Pilot Study on Characteristics of Metabolomics and Lipidomics according to Sasang Constitution

2018 ◽  
Vol 2018 ◽  
pp. 1-12 ◽  
Author(s):  
Min Jung Kim ◽  
Da-Hye Lee ◽  
Jiyun Ahn ◽  
Tae-Youl Ha ◽  
Young Jin Jang ◽  
...  
Keyword(s):  
Pilot Study ◽  
High Performance ◽  
The Other ◽  
Metabolomics Data ◽  
Flight Mass Spectrometry ◽  
Sasang Constitution ◽  
Canonical Pathways ◽  
Phenylalanine Metabolism ◽  
Lipid Metabolites

Although classification of an individual’s Sasang constitution is a key step in the prescription of traditional Korean medicine, the classifying process is complex and not objective. Identification of metabolic-based biomarkers could allow the development of a reliable and sensitive classification technique and even therapeutic management. Our pilot study investigated whether metabolites in plasma are characteristic of Sasang constitutions. Ultra-high-performance liquid chromatography-quadrupole time-of-flight mass spectrometry-based metabolic analysis was conducted against 15 Soyangin (SY), 15 Taeeumin (TE), and 18 Soeumin (SE) individuals, as classified according to the Questionnaire for Sasang Constitution Classification II (QSCC II) and specialist diagnosis. Metabolomics data showed that the TE group was significantly separated from the SY and SE groups. Nine canonical pathways related to constitution; phenylalanine metabolism, aminoacyl-tRNA, tyrosine, and tryptophan biosynthesis were activated in the TE group as compared with the other groups. Similar to the results of the metabolomics analysis, the TE group was also significantly separated from the other two groups by lipidomic analysis. On the other hand, the intensity of lipid metabolites was higher in the SY group than in the other groups. Our findings suggest that the combined analysis of metabolomics and lipidomics can provide useful information for characteristics of Sasang constitutions.

scholarly journals Identification of Chemical Markers for the Discrimination of Radix Angelica sinensis Grown in Geoherb and Non-Geoherb Regions Using UHPLC-QTOF-MS/MS Based Metabolomics

Molecules ◽  
2019 ◽  
Vol 24 (19) ◽  
pp. 3536 ◽  
Author(s):  
Kaixue Zhang ◽  
Menglin Yan ◽  
Shu Han ◽  
Longfei Cong ◽  
Liyao Wang ◽  
...  
Keyword(s):  
Nitric Oxide ◽  
Mass Spectrometry ◽  
High Performance Liquid Chromatography ◽  
Liquid Chromatography ◽  
High Performance ◽  
Angelica Sinensis ◽  
Chemical Markers ◽  
Flight Mass Spectrometry ◽  
Senkyunolide I

This research aimed to discover chemical markers for discriminating radix Angelica sinensis (RAS) from different regions and to explore the differences of RAS in the content of four active compounds and anti-inflammatory activities on lipopolysacchride (LPS)-induced RAW264.7 cells and calcium antagonists on the HEK 293T cells of RAS. Nine compounds were selected as characteristic chemical markers by ultra-high-performance liquid chromatography-quadrupole/time-of-flight mass spectrometry (UHPLC-QTOF-MS/MS), based on metabolomics, in order to rapidly discriminate RAS from geoherb and non-geoherb regions. The contents of senkyunolide I and butylidenephthalide in geoherb samples were higher than those in non-geoherb samples, but the contents of ferulic acid and levistolide A were lower in the geoherb samples. Furthermore, the geoherbs showed better nitric oxide (NO) inhibitory and calcium antagonistic activities than the non-geoherbs. These results demonstrate the diversity in quality of RAS between geoherbs and non-geoherbs.

scholarly journals Classification of Raw Stingless Bee Honeys by Bee Species Origins using NMR-LCMS-based Metabolomics Approach

2018 ◽  
Author(s):  
Muhammad Taufiq Atsifa Razali ◽  
Zaim Akmal Zainal ◽  
Maulidiani Maulidiani ◽  
Khozirah Shaari ◽  
Zulkifli Zambri ◽  
...  
Keyword(s):  
1H Nmr ◽  
High Performance ◽  
Stingless Bee ◽  
Proton Nuclear Magnetic Resonance ◽  
Flight Mass Spectrometry ◽  
Nmr Data ◽  
Classification Technique ◽  
Diagnostic Ions

Background: The official standard for quality control of honey is currently based on physicochemical properties. However, this method is time-consuming, cost intensive, and do not lead to information on the originality of honey. This study aims to classify raw stingless bee honeys by bee species origins as a potential classifier using NMR-LCMS-based metabolomics approach. Methods: Raw stingless bee honeys were analysed and classified by bee species origins using proton nuclear magnetic resonance (1H NMR) spectroscopy and an ultra-high performance liquid chromatography-quadrupole time of flight mass spectrometry (UHPLC-QTOF MS) in combination with chemometrics tools. Results: The honey samples were able to be classified into three different groups based on the bee species origins of Heterotrigona itama, Geniotrigona thoracica, and Tetrigona apicalis. D-Fructofuranose (H. itama honey), β-D-Glucose, D-Xylose, α-D-Glucose (G. thoracica honey), and L-Lactic acid, Acetic acid, L-Alanine (T. apicalis honey) identified via 1H NMR data and the diagnostic ions of UHPLC-QTOF MS were characterized as the discriminant metabolites or putative chemical markers. Conclusion: It could be suggested that the quality of honey in terms of originality and purity can be rapidly determined using classification technique by bee species origins via 1H NMR- and UHPLC-QTOF MS-based metabolomics approach.

scholarly journals Classification of Raw Stingless Bee Honeys by Bee Species Origins Using the NMR- and LC-MS-Based Metabolomics Approach

Molecules ◽  
2018 ◽  
Vol 23 (9) ◽  
pp. 2160 ◽  
Author(s):  
Muhammad Razali ◽  
Zaim Zainal ◽  
M. Maulidiani ◽  
Khozirah Shaari ◽  
Zulkifli Zamri ◽  
...  
Keyword(s):  
1H Nmr ◽  
High Performance ◽  
Stingless Bee ◽  
Proton Nuclear Magnetic Resonance ◽  
Flight Mass Spectrometry ◽  
Nmr Data ◽  
Classification Technique ◽  
Diagnostic Ions

The official standard for quality control of honey is currently based on physicochemical properties. However, this method is time-consuming, cost intensive, and does not lead to information on the originality of honey. This study aims to classify raw stingless bee honeys by bee species origins as a potential classifier using the NMR-LCMS-based metabolomics approach. Raw stingless bee honeys were analysed and classified by bee species origins using proton nuclear magnetic resonance (1H-NMR) spectroscopy and an ultra-high performance liquid chromatography-quadrupole time of flight mass spectrometry (UHPLC-QTOF MS) in combination with chemometrics tools. The honey samples were able to be classified into three different groups based on the bee species origins of Heterotrigona itama, Geniotrigona thoracica, and Tetrigona apicalis. d-Fructofuranose (H. itama honey), β-d-Glucose, d-Xylose, α-d-Glucose (G. thoracica honey), and l-Lactic acid, Acetic acid, l-Alanine (T. apicalis honey) ident d-Fructofuranose identified via 1H-NMR data and the diagnostic ions of UHPLC-QTOF MS were characterized as the discriminant metabolites or putative chemical markers. It could be suggested that the quality of honey in terms of originality and purity can be rapidly determined using the classification technique by bee species origins via the 1H-NMR- and UHPLC-QTOF MS-based metabolomics approach.

Sign in / Sign up

Export Citation Format

Share Document