scholarly journals Simultaneous Determination of 9 Main Components of Lonicera japonica Thunb. by UPLC-MS/MS and Analysed Combine With Chemometrics

2020 ◽  
Vol 15 (9) ◽  
pp. 1934578X2095327
Author(s):  
Songtao Liu ◽  
Lin Yang ◽  
Song Wang ◽  
Junying Pan
Keyword(s):  
High Performance ◽  
Principal Component ◽  
Hierarchical Cluster ◽  
Negative Ion ◽  
Lonicera Japonica ◽  
Application Research ◽  
Active Components ◽  
Main Components ◽  
High Level

The purpose of this article is to establish a method to use ultra-high performance liquid chromatography (UPLC)-mass spectrometry (MS)/MS to simultaneously determine 9 main components of Lonicera japonica Thunb. in negative-ion scanning mode, and the main components were analyzed by chemometrics. The chromatographic separation uses the Thermo Hypersil GOLD column (100 mm × 2.1 mm, 1.9 µm) with a constant temperature of 45 °C. The mobile phase consists of methanol and water containing 0.2% formic acid. The results show that 9 compounds had a good linear relationship ( R² > 0.9991), and both intraday and interday precisions and stability have the eligible ranges of relative SDs (RSDs; 0.96%-2.26%, 0.52%-3.04%, and 0.85%-2.15%, respectively). The recovery rates were between 75.90% and 110.58%. The results of chemometrics including hierarchical cluster analysis and principal component analysis showed that there were obvious differences in the content of active components in L. japonica from different regions, and the compounds with the highest contribution to the drug were identified. Through the UPLC-MS/MS combined chemometrics analysis of L. japonica, this experiment can provide a reference for further research on the modernization and innovation of L. japonica and the application research of a high level and multidirection.

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.

Simultaneous Determination of Phenolic Acids, Anthraquinones, and Flavonoids in the Aerial Part and the Fruit of Xanthium Sibiricum by LC- ESI- QTRAP-MS/MS

2019 ◽  
Vol 15 (5) ◽  
pp. 542-553
Author(s):  
Hui Zhao ◽  
Hao Cai ◽  
Juan-Xiu Liu ◽  
Sheng-Nan Wang ◽  
Xun-Hong Liu ◽  
...  
Keyword(s):  
Simultaneous Determination ◽  
Phenolic Acids ◽  
High Performance ◽  
Aerial Part ◽  
Multiple Reaction Monitoring ◽  
Principal Component ◽  
Negative Ion ◽  
Xanthium Sibiricum ◽  
Relative Standard

Background: Xanthium sibiricum is a well-known traditional Chinese medicine (TCM) that has been commonly used to treat rhinitis and related nasal diseases. The aim of this study was to develop a comprehensive analytical method based on high-performance liquid chromatographyelectrospray ionization coupled with triple quadrupole-linear ion trap mass spectrometry (LC-ESIQTRAP- MS/MS) for the simultaneous determination of phenolic acids, anthraquinones, and flavonoids in the aerial part and fruit of Xanthium sibiricum. Methods: The separation was completed on Agilent ZORBAX SB-C18 column (250 × 4.6 mm, 5μm) using methanol and 0.2% (v/v) aqueous formic acid as the mobile phase. The target components were analyzed in negative ion mode with accurate and sensitive multiple reaction monitoring (MRM) mode. Results: The correlation coefficients of all the calibration curves were higher than 0.9994. Relative standard deviations of intra- and inter-day precisions of the eighteen components were all lower than 2.87% and the recoveries were in the range from 97.73% to 101.82%. The validated method was successfully applied to possess forty Xanthium sibiricum samples (Xanthii Herba, Xanthii Fructus, and processed Xanthii Fructus) collected from different places in P. R. China. Furthermore, principal component analysis (PCA) was performed to evaluate and classify the samples according to the contents of the eighteen bioactive components. Conclusion: All the results demonstrated that the developed method was useful and could be applied for the overall assessment of the quality of Xanthii Herba and Xanthii Fructus.

scholarly journals Morphometric Traits and iPBS Based Molecular Characterizations of Walnut (Juglans regia L.) Genotypes

2021 ◽  
Author(s):  
İbrahim Başak ◽  
Göksel Özer ◽  
FERHAD MURADOGLU
Keyword(s):  
Juglans Regia ◽  
Principal Component ◽  
Hierarchical Cluster ◽  
Morphological Characters ◽  
Morphometric Traits ◽  
Breeding Programs ◽  
Growing Seasons ◽  
Main Components ◽  
Chemical Traits ◽  
High Level

Abstract In this study, walnut genotypes that selected during two growing seasons among thousands of seedlings were analyzed in terms of detailed morphometric, phenological, and chemical traits. A multivariate analysis was conducted with valuable traits for breeding and selection such as morphometric traits, chemical composition, and phenological characteristics. Also, genotypes were characterized by a retrotransposon-based iPBS marker system. The correlation analysis showed significant positive and negative correlations between agro-morphological characters. The principal component analysis explained 71.44% of the total variance into five main components. Principal component and hierarchical cluster analysis divided genotypes into three groups, whose subgroups were identified based on both agro-morphological characters and iPBS marker systems. A high level of polymorphism ratio was observed for tested markers. Mantel’s test demonstrated relatively low correlations between molecular and morphological treats (r=0.04). The genetic similarities among all individuals ranged from 0.39 (between 018 and 015 or 045 genotypes) to 0.98 (between 090 and 094 genotypes) with a mean similarity of 0.67. Remarkable phenotypic and molecular variations were observed among the genotypes. The features of some investigated genotypes were above the acceptable thresholds for walnut selection in breeding programs and our study indicated that iPBS markers can be beneficial in walnut breeding programs, allowing the evaluation of the genetic relationship between genotypes, helping to differentiate and select the best genotypes to improve agronomic properties.

Simultaneous Determination of Six Components in Jingzhiguanxin Tablet by High-Performance Liquid Chromatography

2019 ◽  
Vol 15 (2) ◽  
pp. 130-137
Author(s):  
Hui Jiang ◽  
Lianhao Fu ◽  
Yu Wang ◽  
Shaozhi Wang ◽  
Xiaoxu Zhang ◽  
...  
Keyword(s):  
High Performance Liquid Chromatography ◽  
Liquid Chromatography ◽  
High Performance ◽  
Gradient Elution ◽  
Tanshinone Iia ◽  
Array Detector ◽  
Control Analysis ◽  
Active Components ◽  
Quality Control Analysis

Background: Jingzhiguanxin (JZGX) tablet, a traditional Chinese prescription, is commonly used for treating coronary heart disease and angina pectoris in the clinic. There are six active components (Danshensu (DSS), Protocatechuic aldehyde (PD), Paeoniflorin (PF), Ferulic acid (FA), Salvianolic acid B (Sal B) and Tanshinone IIA (TA)) in JZGX tablet. </P><P> Objective: In this paper, a simple and reliable method was used for simultaneous determining the six active components by high-performance liquid chromatography coupled with diode array detector (HPLC-DAD). Methods: These six active components were separated on an Agilent Zorbax Eclipse XDB-C18 column (150 mmx4.6 mm, 5 µm) at 30 °C. Acetonitrile (A), methanol (B) and 0.5% H3PO4 aqueous solution (C) were used as mobile phase for gradient elution. The flow rate was 1 mL/min and the detection wavelengths were set at 280 nm for DSS, PD and Sal B, 230 nm for PF, 320 nm for FA and 270 nm for TA, respectively. Results: All of the six components showed good linearity regressions (r2≥0.9997) in the detected concentration range. The recovery rates and coefficient of variation (CV) for all analytes were 98.66%- 100.18% and 0.75%-1.89%, respectively. This method was successfully applied to simultaneously determine the six components in JZGX tablet from different batches and manufacturers. Conclusion: The validated method can be used in routine quality control analysis of JZGX tablet without any interference.

scholarly journals Serum Metabolic Profiles of Chinese Women With Perimenopausal Obesity Explored by the Untargeted Metabolomics Approach

2021 ◽  
Vol 12 ◽  
Author(s):  
Shanshan Ding ◽  
Mingyi Chen ◽  
Ying Liao ◽  
Qiliang Chen ◽  
Xuejuan Lin ◽  
...  
Keyword(s):  
Amino Acids ◽  
Metabolic Pathways ◽  
High Performance ◽  
Indoleacetic Acid ◽  
Chinese Women ◽  
Principal Component ◽  
Untargeted Metabolomics ◽  
Negative Ion ◽  
Metabolic Profiles ◽  
Metabolic Characteristics

By far, no study has focused on observing the metabolomic profiles in perimenopause-related obesity. This study attempted to identify the metabolic characteristics of subjects with perimenopause obesity (PO). Thirty-nine perimenopausal Chinese women, 21 with PO and 18 without obesity (PN), were recruited in this study. A conventional ultra-high-performance liquid chromatography-quadrupole time-of-flight/mass spectrometry (UHPLC-QTOF/MS) followed by principal component analysis (PCA) and orthogonal partial least-squares discriminant analysis (OPLS-DA) were used as untargeted metabolomics approaches to explore the serum metabolic profiles. Kyoto Encyclopedia of Genes and Genomes (KEGG) and MetaboAnalyst were used to identify the related metabolic pathways. A total of 46 differential metabolites, along with seven metabolic pathways relevant to PO were identified, which belonged to lipid, amino acids, carbohydrates, and organic acids. As for amino acids, we found a significant increase in l-arginine and d-ornithine in the positive ion (POS) mode and l-leucine, l-valine, l-tyrosine, and N-acetyl-l-tyrosine in the negative ion (NEG) mode and a significant decrease in l-proline in the POS mode of the PO group. We also found phosphatidylcholine (PC) (16:0/16:0), palmitic acid, and myristic acid, which are associated with the significant upregulation of lipid metabolism. Moreover, the serum indole lactic acid and indoleacetic acid were upregulated in the NEG mode. With respect to the metabolic pathways, the d-arginine and d-ornithine metabolisms and the arginine and proline metabolism pathways in POS mode were the most dominant PO-related pathways. The changes of metabolisms of lipid, amino acids, and indoleacetic acid provided a pathophysiological scenario for Chinese women with PO. We believe that the findings of this study are helpful for clinicians to take measures to prevent the women with PO from developing severe incurable obesity-related complications, such as cardiovascular disease and stroke.

Q-marker Prediction Analysis of Rhubarb in Fengyin Decoction Based on Fingerprint and Network Pharmacology

2021 ◽  
Vol 16 (8) ◽  
pp. 1934578X2110387
Author(s):  
Ji-le Lan ◽  
Ye-ping Ruan ◽  
Zhu-jun Mao ◽  
Li-yan You ◽  
Zhong Chen
Keyword(s):  
Chinese Medicine ◽  
High Performance ◽  
Active Component ◽  
Extraction Methods ◽  
Network Pharmacology ◽  
Active Components ◽  
Quality Marker ◽  
Core Components ◽  
Aloe Emodin

Fengyin Decoction (FYD) is a traditional Chinese medicine for the treatment of epilepsy and wind paralysis. However, the potential antiepileptic active component in rhubarb (which is the most effective Chinese medicine in FYD) has not been defined. In this study, we analyzed and predicted the potential quality marker (Q-marker) of rhubarb in FYD based on fingerprint and network pharmacology. The fingerprints of FYD and rhubarb were established to analyze the transmission law of active components. Ultra-high performance liquid chromatography (UPLC) was used to study quantitatively the active components obtained by different extraction methods of FYD. Combined with network pharmacological analysis, a “components-targets-pathways” network was constructed to predict the potential Q-marker. Eight peaks were identified by FYD fingerprint: aloe-emodin, rhein, emodin, chrysophanol, physcion, cinnamaldehyde, 6-gingerol, and glycyrrhizic acid ammonium salt. The determination of the 8 active components in FYD with different extraction methods suggested that rhubarb anthraquinone may be a potential antiepileptic active component. Twelve core components, 19 targets, and 21 pathways of rhubarb were screened by network pharmacology, which further demonstrated that rhubarb played a role mainly through these components, targets, and pathways. We preliminarily predicted that compounds such as rhubarb anthraquinones were a potential Q-marker. The UPLC fingerprint and the content determination method of the 8 components established in this study were effective and feasible. The findings in this study may provide a reference for further study of quality control of FYD and lay a theoretical foundation for the study of its action mechanism. In addition, our study may provide a novel idea for the study of the Q-marker of other classical compound traditional Chinese medicines.

scholarly journals High Level Design of a Flexible PCA Hardware Accelerator Using a New Block-Streaming Method

Electronics ◽  
2020 ◽  
Vol 9 (3) ◽  
pp. 449
Author(s):  
Mohammad Amir Mansoori ◽  
Mario R. Casu
Keyword(s):  
High Performance ◽  
Principal Component ◽  
Hardware Acceleration ◽  
Design Flow ◽  
Hardware Accelerator ◽  
Field Programmable ◽  
Point Solution ◽  
Active Research ◽  
High Level ◽  
Many Core

Principal Component Analysis (PCA) is a technique for dimensionality reduction that is useful in removing redundant information in data for various applications such as Microwave Imaging (MI) and Hyperspectral Imaging (HI). The computational complexity of PCA has made the hardware acceleration of PCA an active research topic in recent years. Although the hardware design flow can be optimized using High Level Synthesis (HLS) tools, efficient high-performance solutions for complex embedded systems still require careful design. In this paper we propose a flexible PCA hardware accelerator in Field-Programmable Gate Arrays (FPGA) that we designed entirely in HLS. In order to make the internal PCA computations more efficient, a new block-streaming method is also introduced. Several HLS optimization strategies are adopted to create an efficient hardware. The flexibility of our design allows us to use it for different FPGA targets, with flexible input data dimensions, and it also lets us easily switch from a more accurate floating-point implementation to a higher speed fixed-point solution. The results show the efficiency of our design compared to state-of-the-art implementations on GPUs, many-core CPUs, and other FPGA approaches in terms of resource usage, execution time and power consumption.

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 Chemical Fingerprint of ‘Oblačinska’ Sour Cherry (Prunus cerasus L.) Pollen

Biomolecules ◽  
2019 ◽  
Vol 9 (9) ◽  
pp. 391 ◽  
Author(s):  
Fotirić Akšić ◽  
Gašić ◽  
Dabić Zagorac ◽  
Sredojević ◽  
Tosti ◽  
...  
Keyword(s):  
High Performance ◽  
Amperometric Detection ◽  
Principal Component ◽  
Sour Cherry ◽  
Anion Exchange Chromatography ◽  
Exchange Chromatography ◽  
Array Detector ◽  
Coumaric Acid ◽  
Chemical Fingerprint ◽  
High Level

The aim of this research was to analyze sugars and phenolics of pollen obtained from 15 different ‘Oblačinska’ sour cherry clones and to assess the chemical fingerprint of this cultivar. Carbohydrate analysis was done using high-performance anion-exchange chromatography (HPAEC) with pulsed amperometric detection (PAD), while polyphenols were analyzed by ultra-high-performance liquid chromatography–diode array detector–tandem mass spectrometry (UHPLC-DAD MS/MS) system. Glucose was the most abundant sugar, followed by fructose and sucrose. Some samples had high level of stress sugars, especially trehalose. Rutin was predominantly polyphenol in a quantity up to 181.12 mg/kg (clone III/9), with chlorogenic acid (up to 59.93 mg/kg in clone III/9) and p-coumaric acid (up to 53.99 mg/kg in clone VIII/1) coming after. According to the principal component analysis (PCA), fructose, maltose, maltotriose, sorbitol, and trehalose were the most important sugars in separating pollen samples. PCA showed splitting off clones VIII/1, IV/8, III/9, and V/P according to the quantity of phenolics and dissimilar profiles. Large differences in chemical composition of studied ‘Oblačinska sour cherry’ clone pollen were shown, proving that it is not a cultivar, but population. Finally, due to the highest level of phenolics, clones IV/8, XV/3, and VIII/1 could be singled out as a promising one for producing functional food and/or in medicinal treatments.

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