scholarly journals Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by 1H-NMR Spectrometry

2020 ◽  
Vol 2020 ◽  
pp. 1-7
Author(s):  
Jie Zhang ◽  
Wenna Guo ◽  
Qiao Li ◽  
Faxin Sun ◽  
Xiaomeng Xu ◽  
...  
Keyword(s):  
Discriminant Analysis ◽  
Chinese Medicine ◽  
Principal Component ◽  
Linear Discriminant ◽  
Chemical Profiling ◽  
H Nmr ◽  
Nmr Spectrometry ◽  
Cinnamomi Cortex ◽  
Medicinal Properties ◽  
Leave One Out

Medicinal property, which is closely related to drug chemical profiling, is the essence of traditional Chinese medicine (TCM) theory and has always been the focus of modern Chinese medicine. Based on dozens of classic and commonly used TCM herbs with recognized medicinal properties, the present study just aimed to investigate the feasibility and reliability of medicinal property discriminant by using 1H-NMR spectrometry, which provided a mass of spectral data showing holistic chemical profile for multivariate analysis and data mining, including principal component analysis (PCA), Fisher linear discriminant analysis (FLDA), and canonical discriminant analysis (CDA). By using FLDA for two-class recognition, a large majority of test herbs (59/61) were properly discriminated as cold or hot group, and the only two exceptions were Chuanbeimu (Fritillariae Cirrhosae Bulbus) and Rougui (Cinnamomi Cortex), suggesting that medicinal properties interrelate with flavor and body tropism, and all these factors together bring up medicinal property and efficacy. While by performing CDA, 98.4% of the original grouped herbs and 77.0% of the leave-one-out cross-validated grouped cases were correctly classified. The findings demonstrated that discriminant analysis based on holistic chemical profiling data by 1H-NMR spectrometry may provide a powerful alternative to have a deeper understanding of TCM medicinal property.

scholarly journals A fast and low-cost approach to quality control of alcohol-based hand sanitizer using portable near infrared spectrometer and chemometrics

2021 ◽  
pp. 096703352098731
Author(s):  
Adenilton C da Silva ◽  
Lívia PD Ribeiro ◽  
Ruth MB Vidal ◽  
Wladiana O Matos ◽  
Gisele S Lopes
Keyword(s):  
Quality Control ◽  
Discriminant Analysis ◽  
Near Infrared ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Partial Least Square ◽  
Least Square ◽  
Chemical Components ◽  
Linear Discriminant ◽  
Hand Sanitizer

The use of alcohol-based hand sanitizers is recommended as one of several strategies to minimize contamination and spread of the COVID-19 disease. Current reports suggest that the virucidal potential of ethanol occurs at concentrations close to 70%. Traditional methods of verifying the ethanol concentration in such products invite potential errors due to the viscosity of chemical components or may be prohibitively expensive to undertake in large demand. Near infrared (NIR) spectroscopy and chemometrics have already been used for the determination of ethanol in other matrices and present an alternative fast and reliable approach to quality control of alcohol-based hand sanitizers. In this study, a portable NIR spectrometer combined with classification chemometric tools, i.e., partial least square discriminant analysis (PLS–DA) and linear discriminant analysis with successive algorithm projection (SPA–LDA) were used to construct models to identify conforming and non-conforming commercial and laboratory synthesized hand sanitizer samples. Principal component analysis (PCA) was applied in an exploratory data study. Three principal components accounted for 99% of data variance and demonstrate clustering of conforming and non-conforming samples. The PLS–DA and SPA–LDA classification models presented 77 and 100% of accuracy in cross/internal validation respectively and 100% of accuracy in the classification of test samples. A total of 43% commercial samples evaluated using the PLS–DA and SPA–LDA presented ethanol content non-conforming for hand sanitizer gel. These results indicate that use of NIR spectroscopy and chemometrics is a promising strategy, yielding a method that is fast, portable, and reliable for discrimination of alcohol-based hand sanitizers with respect to conforming and non-conforming ethanol concentrations.

scholarly journals Determination of HPLC-UV Fingerprints of Spanish Paprika (Capsicum annuum L.) for Its Classification by Linear Discriminant Analysis

Sensors ◽  
2018 ◽  
Vol 18 (12) ◽  
pp. 4479 ◽  
Author(s):  
Xavier Cetó ◽  
Núria Serrano ◽  
Miriam Aragó ◽  
Alejandro Gámez ◽  
Miquel Esteban ◽  
...  
Keyword(s):  
Discriminant Analysis ◽  
Linear Discriminant Analysis ◽  
Principal Component ◽  
Reversed Phase ◽  
Classification Rate ◽  
Phenolic Profile ◽  
Linear Discriminant ◽  
Sample Extraction

The development of a simple HPLC-UV method towards the evaluation of Spanish paprika’s phenolic profile and their discrimination based on the former is reported herein. The approach is based on C18 reversed-phase chromatography to generate characteristic fingerprints, in combination with linear discriminant analysis (LDA) to achieve their classification. To this aim, chromatographic conditions were optimized so as to achieve the separation of major phenolic compounds already identified in paprika. Paprika samples were subjected to a sample extraction stage by sonication and centrifugation; extracting procedure and conditions were optimized to maximize the generation of enough discriminant fingerprints. Finally, chromatograms were baseline corrected, compressed employing fast Fourier transform (FFT), and then analyzed by means of principal component analysis (PCA) and LDA to carry out the classification of paprika samples. Under the developed procedure, a total of 96 paprika samples were analyzed, achieving a classification rate of 100% for the test subset (n = 25).

2D Image Matrix-Based Discriminator

2006 ◽  
pp. 258-286
Author(s):  
David Zhang ◽  
Xiao-Yuan Jing ◽  
Jian Yang
Keyword(s):  
Principal Component Analysis ◽  
Discriminant Analysis ◽  
Linear Discriminant Analysis ◽  
Principal Component ◽  
Component Analysis ◽  
Two Dimensional ◽  
Fisher Linear Discriminant ◽  
Linear Discriminant ◽  
Image Projection ◽  
Projection Techniques

This chapter presents two straightforward image projection techniques — two-dimensional (2D) image matrix-based principal component analysis (IMPCA, 2DPCA) and 2D image matrix-based Fisher linear discriminant analysis (IMLDA, 2DLDA). After a brief introduction, we first introduce IMPCA. Then IMLDA technology is given. As a result, we summarize some useful conclusions.

scholarly journals Development of a Piezoelectric-Based Odor Reproduction System

Electronics ◽  
2019 ◽  
Vol 8 (8) ◽  
pp. 870
Author(s):  
Tengteng Wen ◽  
Dehan Luo ◽  
Yongjie Ji ◽  
Pingzhong Zhong
Keyword(s):  
Principal Component Analysis ◽  
Discriminant Analysis ◽  
Linear Discriminant Analysis ◽  
Electronic Nose ◽  
Principal Component ◽  
Component Analysis ◽  
Piezoelectric Transducers ◽  
Linear Discriminant ◽  
Reproduction System ◽  
Machine Olfaction

Odor reproduction, a branch of machine olfaction, is a technology through which a machine represents various odors by blending several odor sources in different proportions and releases them. In this paper, an odor reproduction system is proposed. The system includes an atomization-based odor dispenser using 16 micro-porous piezoelectric transducers. The authors propose the use of an electronic nose combined with a Principal Component Analysis–Linear Discriminant Analysis (PCA–LDA) model to evaluate the effectiveness of the system. The results indicate that the model can be used to evaluate the system.

Use of Gas Chromatograms of the Essential Leaf Oils of the Genus Eucalyptus for Taxonomic Purposes

1997 ◽  
Vol 45 (1) ◽  
pp. 1 ◽  
Author(s):  
Peter J. Dunlop ◽  
Caroline M. Bignell ◽  
D. Brynn Hibbert
Keyword(s):  
Discriminant Analysis ◽  
Linear Discriminant Analysis ◽  
Vacuum Distillation ◽  
Principal Component ◽  
Analytical Techniques ◽  
Hierarchical Cluster ◽  
Eucalyptus Species ◽  
Linear Discriminant ◽  
Genus Eucalyptus

Using morphological observations, botanists have classified Eucalyptus species into characteristic series. A new vacuum distillation technique has been employed to obtain the characteristic leaf oils, which are very close to their in vivo compositions, from 35 species belonging to series Tetrapterae, series Torquatae and series Rufispermae. Accurate gas chromatograms have been obtained for each species and three analytical techniques (principal component analysis (PCA), hierarchical cluster analysis (CA) and linear discriminant analysis (LDA)) have been used to process these chromatograms to see if agreement with these classifications could be achieved without using any auxiliary morphometric data. For the species chosen for the present study, linear discriminant analysis was the most successful in assigning species to their present botanic classifications. These analytical methods were also used with some success in searching for groupings within a series and within a species.

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