scholarly journals Discrimination of the Geographical Origin of the Lateral Roots of Aconitum carmichaelii Using the Fingerprint, Multicomponent Quantification, and Chemometric Methods

Molecules ◽  
2019 ◽  
Vol 24 (22) ◽  
pp. 4124 ◽  
Author(s):  
Lu-Lin Miao ◽  
Qin-Mei Zhou ◽  
Cheng Peng ◽  
Chun-Wang Meng ◽  
Xiao-Ya Wang ◽  
...  
Keyword(s):  
High Performance ◽  
Geographical Origin ◽  
Lateral Roots ◽  
Principal Component ◽  
Hierarchical Cluster ◽  
Similarity Analysis ◽  
Diterpenoid Alkaloids ◽  
Linear Discriminant ◽  
Hplc Fingerprint ◽  
Aconitum Carmichaelii

Fuzi is a well-known traditional Chinese medicine developed from the lateral roots of Aconitum carmichaelii Debx. It is rich in alkaloids that display a wide variety of bioactivities, and it has a strong cardiotoxicity and neurotoxicity. In order to discriminate the geographical origin and evaluate the quality of this medicine, a method based on high-performance liquid chromatography (HPLC) was developed for multicomponent quantification and chemical fingerprint analysis. The measured results of 32 batches of Fuzi from three different regions were evaluated by chemometric analysis, including similarity analysis (SA), hierarchical cluster analysis (HCA), principal component analysis (PCA), and linear discriminant analysis (LDA). The content of six representative alkaloids of Fuzi (benzoylmesaconine, benzoylhypaconine, benzoylaconine, mesaconitine, hypaconitine, and aconitine) were varied by geographical origin, and the content ratios of the benzoylmesaconine/mesaconitine and diester-type/monoester-type diterpenoid alkaloids may be potential traits for classifying the geographical origin of the medicine. In the HPLC fingerprint similarity analysis, the Fuzi from Jiangyou, Sichuan, was distinguished from the Fuzi from Butuo, Sichuan, and the Fuzi from Yunnan. Based on the HCA and PCA analyses of the content of the six representative alkaloids, all of the batches were classified into two categories, which were closely related to the plants’ geographical origins. The Fuzi samples from Jiangyou were placed into one category, while the Fuzi samples from Butuo and Yunnan were put into another category. The LDA analysis provided an efficient and satisfactory prediction model for differentiating the Fuzi samples from the above-mentioned three geographical origins. Thus, the content of the six representative alkaloids and the fingerprint similarity values were useful markers for differentiating the geographical origin of the Fuzi samples.

scholarly journals Quality Control Methodology and Their Application in Analysis on HPLC Fingerprint Spectra of Herbal Medicines

2012 ◽  
Vol 2012 ◽  
pp. 1-12 ◽  
Author(s):  
Zou Hua-Bin ◽  
Du Ai-Qin ◽  
Zhang Xin-Ling ◽  
Wei Pei-Hai ◽  
Lu Wei-Jie ◽  
...  
Keyword(s):  
Quality Control ◽  
Significant Variation ◽  
High Performance ◽  
Herbal Medicines ◽  
Principal Component ◽  
Similarity Analysis ◽  
Active Components ◽  
Hplc Fingerprint ◽  
Control Methodology

As traditional Chinese medicine (TCM) is gradually accepted by many countries, people pay much attention to the quality of herbal medicines. Because of the significant variation in active components in them, the quality control of herbal medicines is a very important issue. Nowadays, high-performance liquid chromatography (HPLC) fingerprint spectra (FPS) are widely used in identification and quality control of herbal medicines. This paper will analyze the methodology and their application in identifying and evaluating herbal medicines by means of HPLC FPS, which includes simple comparing, clustering, principal component analysis (PCA), and similarity analysis methods.

scholarly journals Traceability of the geographical origin of Siraitia grosvenorii based on multielement contents coupled with chemometric techniques

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Xiao-Ping Huang ◽  
Lei Lei ◽  
Shun-Xin Lei ◽  
Wei-Wei Zhu ◽  
Jun Yan
Keyword(s):  
Inductively Coupled Plasma ◽  
Geographical Origin ◽  
Principal Component ◽  
Emission Spectrometry ◽  
Support Vector ◽  
Linear Discriminant ◽  
Protected Designation Of Origin ◽  
Siraitia Grosvenorii ◽  
Discrimination Rate ◽  
Chemometric Techniques

AbstractSiraitia grosvenorii (LHG) is widely used as a medicinal and edible material around the world. The objective of this study was to develop an effective method for the authentication of the geographical origin of LHG in its main producing area Guangxi, China, which is identified as Chinese Protected Designation of Origin product, against other producing regions in China. The content of 14 elements (K, Na, Ca, P, Mg, Al, B, Ba, Cu, Fe, Mn, Ni, Zn, and Sr) of 114 LHG samples was determined by inductively coupled plasma optical emission spectrometry. Multivariate analysis was then performed to classify the geographical origin of LHG samples. The contents of multielement display an obvious trend of clustering according to the geographical origin of LHG samples based on radar plot and principal component analysis. Finally, three supervised statistical techniques, including linear discriminant analysis (LDA), k-nearest neighbours (k-NN), and support vector machine (SVM), were applied to develop classification models. Finally, 40 unknown LHG samples were used to evaluate the predictive ability of model and discrimination rate of 100%, 97.5% and 100% were obtained for LDA, k-NN, and SVM, respectively. This study indicated that it is feasible to attribute unknown LHG samples to its geographical origin based on its multielement content coupled with chemometric techniques.

scholarly journals Metabolomics-based authentication of wines according to grape variety

2019 ◽  
Vol 37 (No. 4) ◽  
pp. 239-245 ◽  
Author(s):  
Leos Uttl ◽  
Kamila Hurkova ◽  
Vladimir Kocourek ◽  
Jana Pulkrabova ◽  
Monika Tomaniova ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Statistical Models ◽  
High Performance ◽  
Geographical Origin ◽  
Principal Component ◽  
White Wine ◽  
Tandem Mass ◽  
Grape Variety ◽  
Varietal Identification

In 2008, the European Commission highlighted the risk of wine mislabelling regarding the geographical origin and varietal identification. While analytical methods for the identification of wine by geographical origin exist, a reliable strategy for authentication of wine variety is still missing. Here, we investigate the suitability of the metabolomic fingerprinting of ethyl acetate wine extracts, using ultra-high-performance liquid chromatography coupled to high-resolution tandem mass spectrometry. In total, 43 white wine samples (three varieties) were analysed within our study. The generated data were processed by principal component analysis and then by partial least squares discriminant analysis. The resulting statistical models were validated and assessed according to their R2 (cum) and Q2 (cum) parameters. The most promising models were based on positive ionisation data, enabling successful classification of 92% of wine samples.

scholarly journals Tracing the Geographical Origin of Durum Wheat by FT-NIR Spectroscopy

Foods ◽  
2019 ◽  
Vol 8 (10) ◽  
pp. 450 ◽  
Author(s):  
Annalisa De Girolamo ◽  
Marina Cortese ◽  
Salvatore Cervellieri ◽  
Vincenzo Lippolis ◽  
Michelangelo Pascale ◽  
...  
Keyword(s):  
Durum Wheat ◽  
Near Infrared ◽  
Southern Italy ◽  
Geographical Origin ◽  
Nir Spectroscopy ◽  
Principal Component ◽  
Classification Model ◽  
North Central ◽  
Linear Discriminant ◽  
The World

Fourier transform near infrared (FT-NIR) spectroscopy, in combination with principal component-linear discriminant analysis (PC-LDA), was used for tracing the geographical origin of durum wheat samples. The classification model PC-LDA was applied to discriminate durum wheat samples originating from Northern, Central, and Southern Italy (n = 181), and to differentiate Italian durum wheat samples from those cultivated in other countries across the world (n = 134). Developed models were validated on a separated set of wheat samples. Different pre-treatments of spectral data and different spectral regions were selected and compared in terms of overall discrimination (OD) rates obtained in validation. The LDA models were able to correctly discriminate durum Italian wheat samples according to their geographical origin (i.e., North, Central, and South) with OD rates of up of 96.7%. Better results were obtained when LDA models were applied to the discrimination of Italian durum wheat samples from those originating from other countries across the world, having OD rates of up to 100%. The excellent results obtained herein clearly indicate the potential of FT-NIR spectroscopy to be used for the discrimination of durum wheat samples according to their geographical origin.

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.

scholarly journals Quantitative Analysis in Combination with Fingerprint Technology and Chemometric Analysis Applied for Evaluating Six Species of Wild Paris Using UHPLC-UV-MS

2016 ◽  
Vol 2016 ◽  
pp. 1-9 ◽  
Author(s):  
Yuangui Yang ◽  
Ji Zhang ◽  
Hang Jin ◽  
Jinyu Zhang ◽  
Yuanzhong Wang
Keyword(s):  
Principal Component Analysis ◽  
Quantitative Analysis ◽  
High Performance ◽  
Yunnan Province ◽  
Principal Component ◽  
Total Content ◽  
Similarity Analysis ◽  
Fast Method ◽  
Paris Polyphylla

A fast method was developed by ultra high performance liquid chromatography (UHPLC) for simultaneous determination of polyphyllin I and polyphyllin II. Chemometric analyses including principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) based on UHPLC chromatography were used to evaluate 38 batches from six species of Paris. Variable importance of projection was applied to select important peaks. Meanwhile, similarity analysis of UHPLC fingerprint was used to evaluate the sample of Paris polyphylla yunnanensis (PPY) and P. axialis (PA). The results indicated that the total content of saponins in PPY and PA collected from Baoshan City of Yunnan Province above 8.07 mg/g was stronger than that from other areas of the rest of species. PLS-DA showed better performance than PCA with regard to classifying the samples. Retention time during 20–27 minutes of UHPLC was screened as significant peak for distinguishing Paris of different species and original geography. All of PPY and PA with similarity value were more than 0.80. It indicated that quantitative analysis combined with chemometric and similarity analyses could evaluate the different species of Paris effectively and comprehensively.

scholarly journals Determination and Chemometrics-Assisted Comparative Analysis of Active Components in Different Tissue of Rana chensinensis

Separations ◽  
2021 ◽  
Vol 8 (10) ◽  
pp. 164
Author(s):  
Jianqiu Zhang ◽  
Zhongyao Wang ◽  
Shihan Wang ◽  
Changli Zhang ◽  
Nan Li ◽  
...  
Keyword(s):  
High Performance ◽  
Rana Temporaria ◽  
Principal Component ◽  
Hierarchical Cluster ◽  
Comparative Approach ◽  
Active Components ◽  
Rana Chensinensis ◽  
Development And Utilization ◽  
Further Development ◽  
Different Tissues

In this study, the chemical composition of different tissues of Rana temporaria chensinensis David derived from the same individual was analyzed by comparative approach. First, pre-column derivatization combined with high performance liquid chromatography (HPLC) was established to determine the content of 1-methyl hydantoin in samples, which used S1–S5 samples. The results indicated that 1-methyl hydantoin was determined in Oviductus Ranae (OR), Rana chensinensis ovum (RCO), Rana chensinensis meat (RCM), and Rana chensinensis skin (RCS), except for Rana chensinensis bone (RCB). Moreover, the content of it in RCS was the highest. In addition, the contents of six polyunsaturated fatty acids (PUFAs) in different tissues of Rana chensinensis were measured by HPLC, including eicosapentaenoic acid (EPA), α-linolenic acid (ALA), docosahexaenoic acid (DHA), arachidonic acid (ARA), linoleic acid (LA) and oleic acid (OA). The results indicated that OR, RCO, RCM, RCS, and RCB all contained the above six PUFAs. With the aid of chemometrics methods, the results of principal component analysis (PCA), hierarchical cluster analysis (HCA), and orthogonal partial least squares discriminant analysis (OPLS-DA) combined with the sequencing results of the total PUFAs content of each sample, showed that different tissues of Rana chensinensis could be divided into four categories, and the RCO sample was divided into one category because of the highest PUFAs content, which was a good source of PUFA. For comparison, OR and other tissue from the perspective of PUFAs, we also established OPLS-DA models of them. It could be found that the RCM was the most similar to the OR in the diversity and content of PUFAs. This study provided a theoretical basis for the further development and utilization of RCO, RCM, RCS, and RCB as by-products of OR.

scholarly journals HPLC Fingerprint Combined with Quantitation of Phenolic Compounds and Chemometrics as an Efficient Strategy for Quality Consistency Evaluation of Sambucus nigra Berries

2016 ◽  
Vol 11 (10) ◽  
pp. 1934578X1601101 ◽  
Author(s):  
Agnieszka Viapiana ◽  
Marek Wesolowski
Keyword(s):  
Phenolic Compounds ◽  
Principal Component ◽  
Hierarchical Cluster ◽  
Syringic Acid ◽  
Sambucus Nigra ◽  
Hplc Fingerprint ◽  
Efficient Strategy ◽  
Hplc Profiles ◽  
The Mean ◽  
Consistency Evaluation

Sambucus nigra L. berries have been traditionally used as culinary and medicinal ingredients. To ensure the highest quality of elderberry plant products for consumers, the objective of this study was to develop a HPLC fingerprint procedure for quality consistency evaluation of S. nigra berries obtained from various herbal manufacturers in Poland. The HPLC profiles of thirteen batches of elderberries showed more than sixty peaks in each chromatogram, including fourteen well-resolved common peaks. Four of these were assigned to caffeic acid, syringic acid, myricetin and quercetin. Based on the chromatographic profiles of all the samples, the reference HPLC fingerprint and similarity values were calculated by Matlab 9.1 software. Quantitation of phenolic compounds (flavonols and phenolic acids) revealed that the S. nigra samples with the highest quantity differ to a small extent with regard to the mean content of phenolic compounds. On the other hand, in batches of elderberries with lower similarity values, higher differences in the mean phenolic compound content were observed. The results of hierarchical cluster and principal component analyses showed that samples classified into one group are associated with a similar chemical composition, reflected in fourteen common HPLC peaks and similarity values. Chromatographic fingerprint combined with quantitation of plant bioactive compounds and unsupervised data analysis techniques can be a useful and efficient strategy for monitoring the quality consistency of elderberry fruits.

Investigation on the Characteristic Components of Dahuang Zhechong Pill Based on High-Performance Liquid Chromatography (HPLC) Fingerprint

2019 ◽  
Vol 14 (12) ◽  
pp. 1934578X1988807 ◽  
Author(s):  
Li Wu ◽  
Zi-Hui Ni ◽  
Yun-Cong Xu ◽  
Xi-Qiong Zhang ◽  
Sha-Li Du ◽  
...  
Keyword(s):  
High Performance ◽  
Principal Component ◽  
Inhibitory Effect ◽  
Hplc Method ◽  
Cytotoxicity Test ◽  
Active Components ◽  
Hplc Fingerprint ◽  
Hepatocarcinoma Cells ◽  
Aloe Emodin ◽  
Common Components

Dahuang Zhechong Pill (DHZCP) has been widely used in the treatment of hepatocarcinoma in China. The aim of our study was to identify the characteristic components of DHZCP. First, HPLC fingerprint of DHZCP was established to analyze the common components of 14 batches of DHZCP samples, which were purchased from different manufacturers. The results of HPLC fingerprint detected 164 peaks in these 14 batches of DHZCP. Through similarity analysis, cluster analysis, and principal component analysis, we identified 20 common components upon which to conduct quantitative analysis conducted by an HPLC method. After that, a cytotoxicity test was carried out to screen the active components in DHZCP. The results showed that hypoxanthine, rhein, emodin, aloe emodin, and wogonin are the active components of DHZCP for the treatment of hepatocarcinoma, as they have significant inhibitory effect against the activity of drug-resistant hepatocarcinoma cells (SMMC-7721/DOX) than others.

scholarly journals A Strategy for Quality Control of Vespa magnifica (Smith) Venom Based on HPLC Fingerprint Analysis and Multi-Component Separation Combined with Quantitative Analysis

Molecules ◽  
2019 ◽  
Vol 24 (16) ◽  
pp. 2920 ◽  
Author(s):  
Si-Tong Zhou ◽  
Kai Luan ◽  
Lian-Li Ni ◽  
Ying Wang ◽  
Shi-Meng Yuan ◽  
...  
Keyword(s):  
Quantitative Analysis ◽  
High Performance ◽  
Principal Component ◽  
Good Precision ◽  
Fingerprint Analysis ◽  
Wasp Venom ◽  
Chemical Fingerprint ◽  
Hplc Fingerprint ◽  
Relative Standard

As a folk medicine of the Jingpo minority in Yunnan province, the venom of Vespa magnifica has been commonly used for the treatment of rheumatoid arthritis. Quality standardization of the wasp venom is a necessary step for its pharmaceutical research and development. To control the quality of the wasp venom, a method based on high-performance liquid chromatography (HPLC) was developed for chemical fingerprint analysis. In the chromatographic fingerprinting, chemometrics procedures, including similarity analysis (SA), hierarchical clustering analysis (HCA), and principal component analysis (PCA), were applied to classify 134 batches (S1–S134) of wasp venom from different origins. The HPLC fingerprint method displayed good precision (Relative standard deviation, RSD < 0.27%), stability (in 16 h, RSD < 0.34%), and repeatability (RSD < 1.00%). Simultaneously, four compounds (VMS1, VMS2, VMS3, and VMS4) in the wasp venom were purified and identified. VMS1 was 5-hydroxytryptamine, and the other compounds were three peptides that were sequenced as follows: Gly–Arg–Pro–Hyp–Gly–Phe–Ser–Pro–Phe–Arg–Ile–Asp–NH2 (VMS2), Ile–Asn–Leu–Lys–Ala–Ile–Ala–Ala–Leu–Ala–Lys–Lys–Leu–Leu–NH2 (VMS3), and Phe–Leu–Pro–Ile–Ile–Gly–Lys–Leu–Leu–Ser–Gly–Leu–Leu–NH2 (VMS4). The quantifications for these components were 110.2 mg/g, 26.9 mg/g, 216.3 mg/g, and 58.0 mg/g, respectively. The results of this work indicated that the combination of the chemical fingerprint and quantitative analysis offers a reasonable way to evaluate the quality of wasp venom.

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