The classification and identification of complex chemical compositions in yanhusuo herb using UPLC-Q-TOF/MS

2016 ◽  
Vol 8 (10) ◽  
pp. 2274-2281 ◽  
Author(s):  
Lei Yuan ◽  
Jia Yin ◽  
Meng Tian ◽  
Jiabin Xie ◽  
Yuan Wang ◽  
...  
Keyword(s):  
Chemical Compositions ◽  
Complex Chemical ◽  
Tof Ms

A method applied for the classification and identification of complex chemical compositions in yanhusuo herb using UPLC-Q-TOF/MS coupled with characteristic fragments and neutral losses.

Rapid classification and identification of complex chemical compositions in traditional Chinese medicine based on UPLC-Q-TOF/MS coupled with data processing techniques using the KuDieZi injection as an example

2015 ◽  
Vol 7 (12) ◽  
pp. 5210-5217 ◽  
Author(s):  
Lei Yuan ◽  
Zhenzhu Zhang ◽  
Zhiguo Hou ◽  
Bin Yang ◽  
Aizhu Li ◽  
...  
Keyword(s):  
Chinese Medicine ◽  
Traditional Chinese Medicine ◽  
Data Processing ◽  
Chemical Compositions ◽  
Complex Chemical ◽  
Processing Techniques ◽  
Tof Ms

A method has been constructed and applied for the rapid classification and identification of complex chemical compositions in traditional Chinese medicine.

Differential Constituents in Roots, Stems and Leaves of Polygonum multiflorum Thunb. Screened by UPLC/ESI-Q-TOF-MS and Multivariate Statistical Analysis

2019 ◽  
Vol 58 (2) ◽  
pp. 136-143 ◽  
Author(s):  
Wen Rui ◽  
Wanxia Xia ◽  
Wei Zhao ◽  
Bingling Li ◽  
Jian Li ◽  
...  
Keyword(s):  
Statistical Analysis ◽  
Multivariate Statistical Analysis ◽  
Composition Analysis ◽  
Chemical Compositions ◽  
Therapeutic Effects ◽  
Polygonum Multiflorum ◽  
Multivariate Statistical ◽  
Analytical Strategy ◽  
Relative Standard ◽  
Tof Ms

Abstract The differential constituents in leaves, stems and roots of Polygonum multiflorum Thunb. were analyzed by ultra-performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry (UPLC/ESI-Q-TOF-MS) and by multivariate statistical analysis. The established extraction and analysis method showed relative standard deviations (RSDs) for intra-day precision of less than 3.40%, for repeatability of less than 4.06% and for stability of less than 5.10%. Principal component analysis and orthogonal projections to latent structures discriminant analysis of the UPLC/ESI-Q-TOF-MS data showed good ability to classify the leaves, stems and roots of P. multiflorum Thunb. The differential constituents, such as stilbenes, polygoacetophenoside, flavonoids and anthraquinones, accounting for variations between the leaves, stems and roots, were filtered through the variable importance in projection values and were further identified by elemental composition analysis, mass fragmentation data and retention times of available standards. Differences between the chemical compositions in the leaves, stems and roots of P. multiflorum Thunb. were closely related to their various therapeutic effects. This UPLC/ESI-Q-TOF-MS-based analytical strategy could be further utilized to evaluate the overall quality of traditional Chinese medicines and their differences of chemical constituents in different parts of the plant and/or in the plants of different geographical locations.

scholarly journals Identification of “Multiple Components-Multiple Targets-Multiple Pathways” Associated with Naoxintong Capsule in the Treatment of Heart Diseases Using UPLC/Q-TOF-MS and Network Pharmacology

2016 ◽  
Vol 2016 ◽  
pp. 1-15 ◽  
Author(s):  
Xianghui Ma ◽  
Bin Lv ◽  
Pan Li ◽  
Xiaoqing Jiang ◽  
Qian Zhou ◽  
...  
Keyword(s):  
Drug Absorption ◽  
Heart Diseases ◽  
Network Pharmacology ◽  
Chemical Compositions ◽  
Active Components ◽  
Multiple Targets ◽  
Multiple Components ◽  
Main Components ◽  
Tof Ms ◽  
Universal Protein

Naoxintong capsule (NXT) is a commercial medicinal product approved by the China Food and Drug Administration which is used in the treatment of stroke and coronary heart disease. However, the research on the composition and mechanism of NXT is still lacking. Our research aimed to identify the absorbable components, potential targets, and associated pathways of NXT with network pharmacology method. We explored the chemical compositions of NXT based on UPLC/Q-TOF-MS. Then, we used the five principles of drug absorption to identify absorbable ingredients. The databases of PharmMapper, Universal Protein, and the Molecule Annotation System were used to predict the main targets and related pathways. By the five principles of drug absorption as a judgment rule, we identified 63 compositions that could be absorbed in the blood in all 81 chemical compositions. Based on the constructed networks by the significant regulated 123 targets and 77 pathways, the main components that mediated the efficacy of NXT were organic acids, saponins, and tanshinones. Radix Astragali was the critical herbal medicine in NXT, which contained more active components than other herbs and regulated more targets and pathways. Our results showed that NXT had a therapeutic effect on heart diseases through the pattern “multiple components-multiple targets-multiple pathways.”

scholarly journals Essential oil and linalool contents in basil (Ocimum basilicum) irrigated with reclaimed water

2021 ◽  
Author(s):  
Andrezza S. Melo ◽  
Wanderli R. M. Leite ◽  
Mario T. Kato ◽  
Kenia K. Barros
Keyword(s):  
Crude Protein ◽  
Reclaimed Water ◽  
Ocimum Basilicum ◽  
Nutrient Absorption ◽  
Chemical Compositions ◽  
Complex Chemical ◽  
Foliar Tissue ◽  
Reclaimed Water Irrigation ◽  
Aromatic Herbs ◽  
Foliar Biomass

Abstract Essential oils (EO) are volatile compounds with complex chemical compositions that are derived from the secondary metabolism of aromatic herbs. There are several applications of EO in the industrial and medical sectors. Basil (Ocimum sp.) is one of the most important EO-producing aromatic herbs. In this study, EO content (EOC) and linalool content (LC) in basil irrigated with reclaimed water were investigated. Plant development parameters, nutrient absorption and crude protein (CP) content were also evaluated. The experiment was conducted in a greenhouse, with five different treatments and five repetitions each. Compared with treatments only using water, the results of those with reclaimed water irrigation showed higher nutrient absorption, CP contents (in their foliar tissue), length of plant branches, foliar biomass weights, and EOC and LC. EOC reached up to 0.58% of the dry biomass and LC was up to 5.84% of EO mass. In practice, it is estimated that around 5.8 kg of EO and 0.34 kg of linalool can be obtained from one ton of dry basil biomass.

Identification of the chemical compositions of Ponkan peel by ultra performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry

2016 ◽  
Vol 8 (4) ◽  
pp. 893-903 ◽  
Author(s):  
Ying Yang ◽  
Xi Juan Zhao ◽  
Yu Pan ◽  
Zhiqin Zhou
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Qualitative Analysis ◽  
Time Of Flight ◽  
Ultra Performance Liquid Chromatography ◽  
Chemical Compositions ◽  
Flight Mass Spectrometry ◽  
Tof Ms

A new UPLC-Q-TOF-MS method has been reported for the qualitative analysis and profiling of chemical compositions of Ponkan peel.

A hierarchical structure of Co0.85Se@NC/ZnSe@NC yolk-double-shell polyhedron for long-term lithium storage

Nanoscale ◽  
2021 ◽  
Author(s):  
Meng Cao ◽  
Hanqing Pan ◽  
Wanshu Luo ◽  
Qingqing Wang ◽  
Ying lan Ma ◽  
...  
Keyword(s):  
Hierarchical Structure ◽  
Shell Structure ◽  
Chemical Compositions ◽  
Lithium Storage ◽  
Complex Chemical ◽  
Storage Performance

Constructing nanostructures with multi-components and delicate architecture exhibits huge potential to improve the lithium storage performance of electrodes. Herein, we report a novel yolk-double-shell structure with complex chemical compositions. Starting...

scholarly journals UPLC-TOF-MS/MS-Based Metabolomics Analysis Reveals Species-Specific Metabolite Compositions in Pitchers of Nepenthes ampullaria, Nepenthes rafflesiana, and Their Hybrid Nepenthes × hookeriana

2021 ◽  
Vol 12 ◽  
Author(s):  
Muhammad Aqil Fitri Rosli ◽  
Ahmed Mediani ◽  
Kamalrul Azlan Azizan ◽  
Syarul Nataqain Baharum ◽  
Hoe-Han Goh
Keyword(s):  
Dietary Habits ◽  
Ultra Performance Liquid Chromatography ◽  
Intermediate Phenotype ◽  
Chemical Compositions ◽  
Chemical Marker ◽  
Flight Mass Spectrometry ◽  
Assisted Extraction ◽  
Species Specific ◽  
Metabolomics Analysis ◽  
Tof Ms

Hybridization is key to the evolution and diversity of plants in nature. Nepenthaceae comprises a family of diverse tropical carnivorous pitcher plant species with extensive hybridization. However, there is no study to date on the metabolite expression of hybrids in this family. We performed a non-targeted metabolomics analysis of the pitchers of two Nepenthes species with different dietary habits, namely, the semi-detritivorous N. ampullaria and carnivorous N. rafflesiana with their hybrid (N. × hookeriana) for a comparative study. The whole-pitcher samples were extracted in methanol:chloroform:water (3:1:1) via sonication-assisted extraction and analyzed using ultra-performance liquid chromatography time-of-flight mass spectrometry (UPLC-TOF-MS) followed by data analysis to profile chemical compositions. A total of 1,441 metabolite features were profiled from the three species in which 43.3% of features in the hybrid samples were not found in either of its parents. The partial least squares discriminant analysis (PLS-DA) found 324 metabolite features with variable in projection (VIP) values greater than one in which 55 features were statistically significant. This showed that the hybrid is closer to N. rafflesiana, which is consistent to the previous study on gene and protein expressions. A total of 105 metabolites were putatively identified with manual searches using public metabolite databases. Phenols were detected to be the most abundant secondary metabolites due to a high flavonoid content, especially in N. rafflesiana. The most abundant feature 476.3s:449.102 was found to be the most significant VIP for distinguishing between the three species as a chemical marker. This is the first study comparing metabolites in the carnivory organs of different Nepenthes species with comprehensive profiling and putative identification. The differential metabolite compositions in the pitchers of different species might have ecological implications with the hybrid showing intermediate phenotype between the parents as well as manifesting unique metabolites. However, there is no clear evidence of metabolites related to the differences in dietary habits between the hybrid and the two parent species.

scholarly journals Elucidating the mechanisms of Tibetan medicine Ershiwuwei Lvxue Pill in the treatment of rheumatoid arthritis via a system pharmacological approach

2020 ◽  
Author(s):  
Chuan Liu ◽  
Fangfang Fan ◽  
Lu Zhong ◽  
Ning Li ◽  
Yunsen Zhang ◽  
...  
Keyword(s):  
Rheumatoid Arthritis ◽  
Molecular Docking ◽  
Signaling Pathway ◽  
Bioactive Compounds ◽  
Mapk Signaling ◽  
Functional Enrichment ◽  
Tibetan Medicine ◽  
Chemical Compositions ◽  
Pharmacological Approach ◽  
Tof Ms

Abstract Background: Ershiwuwei Lvxue Pill (ELP, མགྲིན་མཚལ་ཉེར་ལྔ།), a traditional Tibetan medicine preparation, has been used hundreds of years for the clinical treatment of rheumatoid arthritis (RA) in Tibet, China. Nevertheless, its chemical compositions and therapeutic mechanism are unclear. Methods: In this work, a system pharmacological approach based on ultra-performance liquid chromatography/quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF/MS), network pharmacology and molecular docking simulation was proposed for exploring the promising bioactive compounds and mechanisms for the treatment of RA.Results: For the first time, the compounds database of ELP was successfully established and 96 compounds were identified based on UPLC-Q-TOF/MS analysis. Among them, 22 bioactive compounds were screened according to ADME, oral bioavailability and drug likeness. Screening based on relevant databases and topological analysis revealed that 22 bioactive ingredients participated in 46 potential target proteins and 12 signaling pathways in RA. The functional enrichment analysis indicated that ELP exerted the anti-RA effects via synergistically regulating multiple biological nodes of the disease network. In that, 10 targets with high degree value including IL6, TNF, TP53, AKT1, JUN, VEGFA, MAPK3, STAT3, IL1β and PTGS2. The pathways with greater p-value contribution are PI3K-Akt signaling pathway, Cytokine-cytokine receptor interaction, JAK-STAT signaling pathway, MAPK signaling pathway, TNF signaling pathway and Toll-like receptor signaling pathway. In addition, good molecular docking scores were highlighted between five promising bioactive compounds (ellagic acid, quercetin, kaempferol, galangin, coptisine) and five core targets (PTGS2, STAT3, VEGFA, MAPK3, TNF). Conclusion: Overall, the present work revealed the material basis and potential mechanism of ELP treatment on RA and provides insight for further research. However, further studies are needed to validate the biological processes and effect pathways of ELP.

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