scholarly journals Chemical Constituent Profiling of Paecilomyces cicadae Liquid Fermentation for Astragli Radix

Molecules ◽  
2019 ◽  
Vol 24 (16) ◽  
pp. 2948 ◽  
Author(s):  
Wang ◽  
Mei ◽  
Liu ◽  
Li ◽  
Zhang ◽  
...  
Keyword(s):  
Chemical Interaction ◽  
Chemical Constituents ◽  
Neutral Loss ◽  
Chemical Constituent ◽  
Negative Ion ◽  
Chemical Components ◽  
Data Sets ◽  
Bioactive Constituents ◽  
Fermentation Liquid ◽  
Product Ions

Astragli Radix (AR) is one of the most popular traditional Chinese medicines with chemical constituents including flavonoids and saponins. As recently evidenced, some fungi or their fermentation liquid may have the potential to affect the bioactive constituents and different pharmacological effects of AR. Thus, the composition of fermented AR (FAR) produced by Paecilomyces cicadae (Miquel) Samson in liquid-state fermentation was investigated using a UHPLC-LTQ-Orbitrap mass spectrometer in both positive and negative ion modes. Firstly, the MSn data sets were obtained based on a data-dependent acquisition method and a full scan–parent ions list–dynamic exclusion (FS-PIL-DE) strategy. Then, diagnostic product ions (DPIs) and neutral loss fragments (NLFs) were proposed for better constituent detection and structural characterization. Consequently, 107 constituents in total, particularly microconstituents in FAR and AR, were characterized and compared in parallel on the same LTQ–Orbitrap instrument. Our results indicated that AR fermentation with Paecilomyces significantly influenced the production of saponins and flavonoids, especially increasing the content of astragaloside IV. In conclusion, this research was not only the first to show changes in the chemical components of unfermented AR and FAR, but it also provides a foundation for further studies on the chemical interaction between microbiota and AR.

scholarly journals A Comprehensive Screening and Identification of Genistin Metabolites in Rats Based on Multiple Metabolite Templates Combined with UHPLC-HRMS Analysis

Molecules ◽  
2018 ◽  
Vol 23 (8) ◽  
pp. 1862 ◽  
Author(s):  
Yaoyue Liang ◽  
Wenjing Zhao ◽  
Chenxiao Wang ◽  
Zijian Wang ◽  
Zhibin Wang ◽  
...  
Keyword(s):  
Neutral Loss ◽  
Negative Ion ◽  
Ring Cleavage ◽  
Therapeutic Effects ◽  
Data Sets ◽  
Orbitrap Mass Spectrometer ◽  
Product Ions ◽  
Screening And Identification ◽  
Acquisition Method

Genistin, an isoflavone belonging to the phytoestrogen family, has been reported to possess various therapeutic effects. In the present study, the genistin metabolites in rats were investigated by UHPLC-LTQ-Orbitrap mass spectrometer in both positive and negative ion modes. Firstly, the data sets were obtained based on data-dependent acquisition method and then 10 metabolite templates were established based on the previous reports. Then diagnostic product ions (DPIs) and neutral loss fragments (NLFs) were proposed to efficiently screen and ascertain the major-to-trace genistin metabolites. Meanwhile, the calculated Clog P values were used to identify the positional isomers with different retention times. Consequently, a total of 64 metabolites, including prototype drug, were positively or putatively characterized. Among them, 40 metabolites were found according to the templates of genistin and genistein, which was the same as the previous research method. After using other metabolite templates, 24 metabolites were added. The results demonstrated that genistin mainly underwent methylation, hydrogenation, hydroxylation, glucosylation, glucuronidation, sulfonation, acetylation, ring-cleavage and their composite reactions in vivo biotransformation. In conclusion, the research not only revealed the genistein metabolites and metabolic pathways in vivo comprehensively, but also proposed a method based on multiple metabolite templates to screen and identify metabolites of other natural compounds.

HPLC analysis and activity to determine the effect of drying and extraction on Ficus benghalensis leaves

2020 ◽  
Vol 9 (1) ◽  
pp. 6-10
Author(s):  
Nithyakalyani K
Keyword(s):  
Extraction Method ◽  
Chemical Constituents ◽  
Extraction Procedure ◽  
Chemical Constituent ◽  
Chemical Components ◽  
Drying Method ◽  
Ultrasound Assisted Extraction ◽  
Critical Stage ◽  
Ficus Benghalensis ◽  
Assisted Extraction

Ficus benghalensis is one of those taboo plants in India, which was claimed to be possessed and have weird effects on human health. Apart from this ficus species has a great variety of chemical constituents and an abundant amount of antioxidants. Drying is the most critical stage of improving the activity or preventing the loss of chemical components from a drug. There is another stage of ensuring high chemical constituent content in the plant and that is the extraction procedure. So the point of focus in the current research is to find the effect of extraction method and drying on the anti-inflammatory potential of the plant. The result of the extraction method and drying method of the plant was investigated and found that the ultrasound-assisted extraction of the shade dried leaves was found to give the highest yield of flavonoids and activity.

scholarly journals Rapid Characterizaiton of Chemical Constituents of the Tubers of Gymnadenia conopsea by UPLC–Orbitrap–MS/MS Analysis

Molecules ◽  
2020 ◽  
Vol 25 (4) ◽  
pp. 898
Author(s):  
Xin Wang ◽  
Xiang-Jian Zhong ◽  
Na Zhou ◽  
Ning Cai ◽  
Jia-Hui Xu ◽  
...  
Keyword(s):  
Phenolic Acid ◽  
High Performance ◽  
Chemical Constituents ◽  
Scientific Basis ◽  
Negative Ion ◽  
Chemical Components ◽  
Gymnadenia Conopsea ◽  
Orbitrap Mass Spectrometer ◽  
First Time ◽  
Orbitrap Ms

Gymnadenia conopsea R. Br. is a traditional Tibetan medicinal plant that grows at altitudes above 3000 m, which is used to treat neurasthenia, asthma, coughs, and chronic hepatitis. However, a comprehensive configuration of the chemical profile of this plant has not been reported because of the complexity of its chemical constituents. In this study, a rapid and precise method based on ultra-high performance liquid chromatography (UPLC) combined with an Orbitrap mass spectrometer (UPLC–Orbitrap–MS/MS) was established in both positive- and negative-ion modes to rapidly identify various chemical components in the tubers of G. conopsea for the first time. Finally, a total of 91 compounds, including 17 succinic acid ester glycosides, 9 stilbenes, 6 phenanthrenes, 19 alkaloids, 11 terpenoids and steroids, 20 phenolic acid derivatives, and 9 others, were identified in the tubers of G. conopsea based on the accurate mass within 3 ppm error. Furthermore, many alkaloids, phenolic acid derivates, and terpenes were reported from G. conopsea for the first time. This rapid method provides an important scientific basis for further study on the cultivation, clinical application, and functional food of G. conopsea.

scholarly journals Effect of Different Post-Harvest Processing Methods on the Chemical Constituents of Notopterygium franchetii by an UHPLC-QTOF-MS-MS Metabolomics Approach

Molecules ◽  
2019 ◽  
Vol 24 (17) ◽  
pp. 3188 ◽  
Author(s):  
Su ◽  
Wu ◽  
Li ◽  
Huang ◽  
Liu ◽  
...  
Keyword(s):  
Chemical Constituents ◽  
Herbal Medicines ◽  
Chemical Components ◽  
Drying Methods ◽  
Bioactive Constituents ◽  
Chemical Changes ◽  
Processing Methods ◽  
Post Harvest ◽  
Hot Air ◽  
Wide Range

Notopterygium franchetii is a herb used in traditional Chinese medicine, where it is known as qianghuo. Its bioactive qualities are influenced by the post-harvest processing methods used (such as drying). However, changes in chemical components according to the drying method are unknown. Fresh roots and rhizomes of N. franchetii were subjected to seven drying methods. Chromatography-mass spectrometry combined with targeted and untargeted analyses were used to investigate relationships between drying methods and chemical concentrations. According to targeted evaluations of the six main bioactive constituents, their total contents decreased significantly in all drying methods. Hierarchical clustering analysis of the drying methods and total metabolome detected 30 chemical constituents, for which heap maps were obtained. Hot air drying was the best processing method, producing the least chemical changes at the lowest cost, while shade drying caused the greatest chemical changes. In conclusion, the wide range of chemical changes in N. franchetii caused by drying was investigated. Such changes potentially affect the quality of herbal medicines.

scholarly journals Variation in the Relative Isomer Abundance of Synthetic and Biologically Derived Phosphatidylethanols and Its Consequences for Reliable Quantification

2020 ◽  
Author(s):  
Marc Luginbühl ◽  
Reuben S E Young ◽  
Frederike Stoeth ◽  
Wolfgang Weinmann ◽  
Stephen J Blanksby ◽  
...  
Keyword(s):  
Reference Materials ◽  
Neutral Loss ◽  
Acyl Chain ◽  
Reversed Phase ◽  
Fatty Acyl ◽  
Negative Ion ◽  
Selected Reaction Monitoring ◽  
Fatty Acyl Chain ◽  
Blood Samples ◽  
Product Ions

Abstract Phosphatidylethanol (PEth) in human blood samples is a marker for alcohol usage. Typically, PEth is detected by reversed-phase liquid chromatography coupled with negative ion tandem mass spectrometry, investigating the fatty acyl anions released from the precursor ion upon collision-induced dissociation (CID). It has been established that in other classes of asymmetric glycerophospholipids, the unimolecular fragmentation upon CID is biased depending on the relative position (known as sn-position) of each fatty acyl chain on the glycerol backbone. As such, the use of product ions in selected-reaction-monitoring (SRM) transitions could be prone to variability if more than one regioisomer is present in either the reference materials or the sample. Here, we have investigated the regioisomeric purity of three reference materials supplied by different vendors, labeled as PEth 16:0/18:1. Using CID coupled with ozone-induced dissociation, the regioisomeric purity (% 16:0 at sn-1) was determined to be 76, 80 and 99%. The parallel investigation of the negative ion CID mass spectra of standards revealed differences in product ion ratios for both fatty acyl chain product ions and ketene neutral loss product ions. Furthermore, investigation of the product ion abundances in CID spectra of PEth within authentic blood samples appears to indicate a limited natural variation in isomer populations between samples, with the cannonical, PEth 16:0/18:1 (16:0 at sn-1) predominant in all cases. Different reference material isomer distributions led to variation in fully automated quantification of PEth in 56 authentic dried blood spot (DBS) samples when a single quantifier ion was used. Our results suggest caution in ensuring that the regioisomeric compositions of reference materials are well-matched with those of the authentic blood samples.

scholarly journals Comprehensive Screening and Identification of Phillyrin Metabolites in Rats Based on UHPLC-Q-Exactive Mass Spectrometry Combined with Multi-Channel Data Mining

2020 ◽  
Vol 2020 ◽  
pp. 1-20
Author(s):  
Beibei Ma ◽  
Jiameng Li ◽  
Tianyu Lou ◽  
Yaoyue Liang ◽  
Chenxiao Wang ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Data Mining ◽  
Neutral Loss ◽  
Negative Ion ◽  
Chromatographic Retention ◽  
Data Sets ◽  
Screening And Identification ◽  
Q Exactive ◽  
Novel Strategy

Phillyrin, a well-known bisepoxylignan, has been shown to have many critical pharmacological activities. In this study, a novel strategy for the extensive acquisition and use of data was established based on UHPLC-Q-Exactive mass spectrometry to analyze and identify the in vivo metabolites of phillyrin and to elucidate the in vivo metabolic pathways of phillyrin. Among them, the generation of data sets was mainly due to multichannel data mining methods, such as high extracted ion chromatogram (HEIC), diagnostic product ion (DPI), and neutral loss filtering (NLF). A total of 60 metabolites (including the prototype compound) were identified in positive and negative ion modes based on intuitive and useful data such as the standard’s cleavage rule, accurate molecular mass, and chromatographic retention time. The results showed that a series of biological reactions of phillyrin in vivo mainly included methylation, hydroxylation, hydrogenation, sulfonation, glucuronidation, demethylation, and dehydrogenation and their composite reactions. In summary, this study not only comprehensively explained the in vivo metabolism of phillyrin, but also proposed an effective strategy to quickly analyze and identify the metabolites of natural pharmaceutical ingredients in nature.

scholarly journals Gynura procumbens ethanol extract and its fractions inhibit Th1, Th2 and Th17 but induce Treg cells differentiation during atherosclerosis development

2021 ◽  
Vol 10 (4) ◽  
pp. 415-425
Author(s):  
Manimegalai Manogaran ◽  
Vuanghao Lim ◽  
Doblin Sandai ◽  
Rafeezul Mohamed
Keyword(s):  
Gene Expression ◽  
T Cells ◽  
Cd4 T Cells ◽  
Chemical Constituents ◽  
Ethanol Extract ◽  
Treg Cells ◽  
Gas Chromatography Mass Spectrometry ◽  
Chemical Components ◽  
Mouse Bone Marrow ◽  
Bioactive Constituents

Introduction: Gynura procumbens (Lorr.) Merr. (GP) displays cardio-protective effect, which may hinder atherogenesis induced by oxidized low-density lipoprotein (oxLDL) and leukocytes. The current study was undertaken to elucidate the chemical constituents of GP ethanol extract and its aqueous, chloroform, ethyl acetate, and hexane fractions, and their effects on CD4+ T cell differentiation during atherogenesis. Methods: Initially, the bioactive constituents in GP ethanol extract and its fractions were analyzed using gas chromatography-mass spectrometry (GC-MS). Generated mouse bone marrow dendritic cells (BMDC) were loaded with oxLDL and GP ethanol extract and its fractions for 24 hours and co-cultured with mouse CD4+ T cells for 72 hours. For the determination of T-bet, GATA-3, RORγt, Foxp3, DLL-3, and Jagged-1 mRNA gene expression, the floating cells (CD4+ T cells) and adherence cells (BMDC) were isolated from their total RNAs and reverse transcribed into cDNA.Results: GC-MS analysis showed that GP ethanol extract and its fractions contained various volatile compounds. GP ethanol extract and its fractions also increased the DLL-3 gene but suppressed Jagged-1 gene expression in oxLDL-treated BMDC. Furthermore, GP ethanol extract and its fractions suppressed T-bet, GATA-3, and RORγt gene expression but increased the expression of the Foxp3 gene in differentiated CD4 + T cells. Conclusion: GP ethanol extract and its fractions are composed of various bioactive chemical components that can induce anti-atherogenic effects by inhibiting pro-atherogenic cells such as Th1, Th2, and Th17 cells while increasing anti-atherogenic cells, Treg cells.

Chemical Constituent and Antimicrobial Activity of Essential Oil from Fragrant Loquat and Common Loquat

2011 ◽  
Vol 138-139 ◽  
pp. 974-980 ◽  
Author(s):  
Yan Ping Hong ◽  
Biao Sheng Lin ◽  
Hong Yun Ca ◽  
Shun Quan Lin
Keyword(s):  
Antimicrobial Activity ◽  
Essential Oil ◽  
Leaf Extract ◽  
Chemical Constituents ◽  
Chemical Constituent ◽  
Chemical Components ◽  
Inhibitory Effects ◽  
Capillary Gc ◽  
Trichoderma Spp ◽  
Test Organisms

The chemical components of fragrant loquat and common loquat extracted by petroleum ether had been investigated using capillary GC-MS. 109 constituents were identified and the relative percentages of the constituents were determined. The highest content of chemical constituents was phytol. The antimicrobial activity on seven test organisms of essential oil from fragrant loquat and common loquat leaf extract were detected, the results indicated that these extracts had inhibitory effects on Canidia Albicans and Trichoderma spp., but not on bacteria.

scholarly journals Rapid Identification of the Chemical Components of Ilex rotunda Thunb Using UPLC-Q-TOF-MS/MS

2021 ◽  
Vol 2021 ◽  
pp. 1-16
Author(s):  
Xinxin Chen ◽  
Junmao Li ◽  
Renyikun Yuan ◽  
Youqiong Zhuo ◽  
Yangling Chen ◽  
...  
Keyword(s):  
Chemical Constituents ◽  
Neutral Loss ◽  
Sample Pretreatment ◽  
Practical Method ◽  
Chemical Components ◽  
Flavonoid Glycosides ◽  
Active Components ◽  
Triterpenoid Saponins ◽  
Ilex Rotunda ◽  
Tof Ms

Ilicis Rotundae Cortex (IRC) consists of the bark of Ilex rotunda Thunb, and its chemical constituents mainly include flavonoid glycosides, phenols, and triterpenoid saponins. In this study, a preliminary analysis was performed to identify and obtain the chemical components from IRC to better control the quality of the medicinal materials and provide a chemical basis for the study of the efficacy of the active components. Simple and efficient sample pretreatment and ultrasonic-assisted extraction methods were used to analyze the mass spectrum fragments and fracture modes in the anion mode by UPLC-Q-TOF-MS/MS. Using a two-step strategy, the neutral loss, diagnostic ions, and characteristic fragments were studied to screen diverse skeletons and substitutions, and the possible compounds were identified by comparison with databases. The representative compounds were compared with the standard, and the mass spectrogram was found to match perfectly. Thus, our findings reveal that this method is feasible and reliable and can be used to analyze the chemical components of IRC. We identified 105 compounds, including 22 triterpenoid saponins, 15 chlorogenic acids, 33 phenylpropanoids and phenylpropanosides, 3 iridoids, 1 flavonoid, 10 lignans, 12 glycosides, and 9 other compounds. This method lays the foundation for further elucidating the pharmacodynamics of IRC and provides a practical method for the identification of IRC.

Isolation and HPLC Determination of the Chemical Components of Gentianella acuta (Michx.) Hulten

2018 ◽  
Vol 15 (1) ◽  
pp. 21-33
Author(s):  
Ying Wei ◽  
Yongqiao Liu ◽  
Yifan Hele ◽  
Weiwei Sun ◽  
Yang Wang ◽  
...  
Keyword(s):  
Medicinal Plant ◽  
High Speed ◽  
Chemical Constituents ◽  
Folk Medicine ◽  
Gradient Elution ◽  
Chemical Components ◽  
Isolation And Characterization ◽  
Major Chemical ◽  
Main Components ◽  
First Time

Background: Gentianella acuta (Michx.) Hulten is an important type of medicinal plant found in several Chinese provinces. It has been widely used in folk medicine to treat various illnesses. However, there is not enough detailed information about the chemical constituents of this plant or methods for their content determination. Objective: The focus of this work is the isolation and characterization of the major chemical constituents of Gentianella acuta, and developing an analytical method for their determination. Methods: The components of Gentianella acuta were isolated using (1) ethanol extraction and adsorption on macroporous resin. (2) and ethyl acetate extraction and high speed countercurrent chromatography. A HPLC-DAD method was developed using a C18 column and water-acetonitrile as the mobile phase. Based on compound polarities, both isocratic and gradient elution methods were developed. Results: A total of 29 compounds were isolated from this plant, of which 17 compounds were isolated from this genus for the first time. The main components in this plant were found to be xanthones. The HPLC-DAD method was developed and validated for their determination, and found to show good sensitivity and reliability. Conclusion: The results of this work add to the limited body of work available on this important medicinal plant. The findings will be useful for further investigation and development of Gentianella acuta for its valuable medicinal properties.

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