Qualitative analysis of chemical components in Lianhua Qingwen capsule by HPLC-Q Exactive-Orbitrap-MS coupled with GC-MS

The Lianhua Qingwen(LHQW) capsule is a popular traditional Chinese medicine for the treatment of viral respiratory diseases.In particular,it has been recently prescribed to treat infections caused by the severe acute respiratory syndrome coronavirus 2(SARS-CoV-2).However,due to its complex composition,little attention has been directed toward the analysis of chemical constituents present in the LHQW capsule.This study presents a reliable and comprehensive approach to characterizing the chemical constituents present in LHQW by high-performance liquid chromatography-Q Exactive-Orbitrap mass spectrometry(HPLC-Q Exactive-Orbitrap-MS) coupled with gas chromatography-mass spectrometry(GC-MS).An automated library alignment method with a high mass accuracy(within 5 ppm) was used for the rapid identification of compounds.A total of 104 compounds,consisting of alkaloids,flavonoids,phenols,phenolic acids,phenylpropanoids,quinones,terpenoids,and other phytochemicals,were successfully characterized.In addition,the fragmentation pathways and characteristic fragments of some representative compounds were elucidated.GC-MS analysis was conducted to characterize the volatile compounds present in LHQW.In total,17 compounds were putatively characterized by comparing the acquired data with that from the NIST library.The major constituent was menthol,and all the other compounds were terpenoids.This is the first comprehensive report on the identification of the major chemical constituents present in the LHQW capsule by HPLC-Q Exactive-Orbitrap-MS,coupled with GCMS,and the results of this study can be used for the quality control and standardization of LHQW capsules.

Identification and Analysis of Chemical Components in Zhideke Granules by UPLC-Q-Orbitrap HRMS

[Objectives]To identify and analyze chemical components in Zhideke Granules by ultra performance liquid chromatography-quadrupole/electrostatic field orbitrap high resolution mass spectrometry(UPLC-Q-Orbitrap HRMS).[Methods]Zhideke Granules were isolated on a Thermo Hypersil Gold C18 column(2.1 mm×100 mm,1.9μm).The mobile phase was 0.1%formic acid acetonitrile and 0.1%formic acid aqueous solution(containing 10 mmol ammonium acetate)with gradient elution.Chemical components in Zhideke Granules were rapidly isolated and identified by HRMS in the positive and negative ion mode with full scan data-dependent two stage threshold-triggered mass modes(Full MS/dd-MS2).[Results]The secondary fragment ion information of the target compound was selected and compared with the compound reported in the databases and related literatures for further confirmation.In total,30 chemical compounds were identified,including 12 flavonoids and glycosides,9 organic acids,3 nitrogen-containing compounds,and 6 other components.[Conclusions]In this study,the UPLC-Q-Orbitrap HRMS was used for the first time to analyze the chemical components in Zhideke Granules.It is intended to provide a reference for the quality evaluation and further study of pharmacodynamic materials of Zhideke Granules.

Correlation Analysis of Processing Technology,Physical Parameters and Chemical Components during Plain Stir-baking of Trichosanthis Radix

[Objectives]To explore the correlation of processing technology,physical parameters and chemical components during plain stir-baking of Trichosanthis Radix.[Methods]Based on mixture uniform experiment design,the Trichosanthis Radix was prepared by plain stir-bake method.Delphi method was used to evaluate and select the highest-scoring processed product for measuring physical parameters.UV spectrophotometry was used to determine the contents of starch and polysaccharide.The correlation and linear regression model of processing technology,physical parameters and chemical components were established with the aid of SPSS 26.0[Results]After processing by plain stir-bake method,the relative density and chromaticity showed a decreasing trend in the processed products of Trichosanthis Radix,the oxidation value,hydroscopic rate and swelling decreased firstly and then increased,and pH increased firstly and then decreased.The content of total starch decreased,the content of polysaccharide increased,and there was a negative correlation between them.There was a significant positive correlation between temperature and oxidation value,swelling and hydroscopic rate,hydroscopic rate and polysaccharide,and there was a significant negative correlation between relative density and hydroscopic rate or polysaccharide,total starch and hydroscopic rate or swelling.The linear relation model between processing technology and physical parameters and chemical components was r2>0.9.[Conclusions]After processing by plain stir-bake method,the physical parameters of Trichosanthis Radix changed,and there may be mutual conversion between total starch and polysaccharides.To a certain extent,physical parameters can be used to evaluate the quality of processed products of Trichosanthis Radix.This study is expected to provide a reference for research on quality evaluation of processed products of traditional Chinese medicine.

Advances in Research of Chemical Components and Pharmacological Effects of Platycladus orientalis Leaves

Platycladi Cacumen(Platycladus orientalis leaf)is a traditional Chinese medicine with a variety of medicinal values,and its efficacy has been recorded by many ancient books.Its chemical components mainly include flavonoids,volatile oil,tannins and so on.Pharmacological studies have confirmed that P.orientalis leaves have various pharmacological effects such as antibacterial,anti-oxidant,anti-tumor,hair growth promoting and hemostatic effects.Through review of the research on the chemical components and pharmacological effects of P.orientalis leaves,this study is intended to provide reference for the research,development and utilization of P.orientalis.

Studies on the chemical components and biological activities of the genus of Juncus

Juncus is the largest genus of Juncaceae family,with about 240 species around the world.There are 77 species,1 variety and 10 deformations grown in China.Up to now,117 components have been identified as phenanthrenes and dihydrophenanthrenes,which are the characteristic constituents of this genus,and 48 ones have been identified as triterpenoids,glycerides,coumarins,flavonoids from this genus.The reported constituents displayed diverse bioactivities,including antiproliferative,antimicrobial,anti-inflammatory,antioxidant,anxiolytic,sedative,spasmolytic,anticholinesterase and antialgal effects.This review summarized the research progress on the chemical components and pharmacological effects of the genus of Juncus so far.

A review:The chemical components and pharmacological activities of Piper auritum Kunth

Piper auritum Kunth,a member of the Piperacea family,is a small shrub native to the Central American tropics.This plant was traditionally used in Latin American countries for the treatment of various medical conditions.Increase in the recent studies of P.auritum’s chemical components leads to the isolation of monoterpenoids,sesquiterpenoids,phenylpropanoids and several other compounds.Previous research has revealed that these secondary metabolites have diverse pharmacological activities including antidiabetic,antioxidant,anti-inflammatory,anti-pathogeny microorganism and repellent activity.This review summarizes relevant findings on P.auritum,and hopes to contribute to the exploration of its potentials for further development as an alternative medicine.

Research review in the main chemical components and biological activities of Daphne aurantiaca Diels

Daphne aurantiaca Diels belongs to the Daphne L.genus of Thymelaeaceaen family and flavonoids,terpenoids,lignans,phenylpropanoids are the main chemical components isolated from this plant.And the extracts of Daphne aurantiaca Diels have been reported with multiple pharmacological activities and good development prospects,which have drawn enormous attention.Hence,this review summarized the research progress on the chemical components and the pharmacological effects of Daphne aurantiaca Diels.

Characterization of multiple chemical components of GuiLingJi by UHPLC-MS and ^(1)H NMR analysis

GuiLingJi(GLJ),a classic traditional Chinese medicine(TCM)formula,is composed of over 20 herbs,according to the Pharmacopeia of the People's Republic of China.Owing to its various activities,GLJ has been used in clinical settings for more than 400 years in China.However,the ambiguous chemical material basis limits the development of studies on the quality control and pharmacological mechanisms of GLJ.Therefore,comprehensive characterization of the multiple chemical components of GLJ is of great significance for the modernization of this formula.Given the great variety of herbs in GLJ,both UHPLCMS and ^(1)H NMR techniques were employed in this study.In addition,solvent extraction with different polarities was used to eliminate signal interference and the concentration of trace components.A variety of MS analytic methods were also used,including implementation of a self-built compound database,diagnostic ion filtering,mass defect filtering,and Compound Discoverer 3.0 analysis software.Based on the above strategies,a total of 150 compounds were identified,including 5 amino acids,13 phenolic acids and glycosides,11 coumarins,72 flavones,20 triterpenoid and triterpenoid saponins,23 fatty acids,and 6 other compounds.Moreover,13 compounds were identified by ^(1)H NMR spectroscopy.The UHPLC-MS and ^(1)H NMR results supported and complemented each other.This strategy provides a rapid approach to analyzing and identifying the chemical composition of Chinese herbal prescriptions.The current study provides basis for further research on the quality control and pharmacological mechanism of GLJ.

The impact of^(60)Co-γirradiation on the chemical constituents of Chuanxiong Rhizoma

Background:In order to clarify the inmpat ofγirradiation on the chemical composition of traditional Chinese medicine,this paper carefully choosed Chuanxiong Rhizoma to carry on a demonstration study.Methods:Through a meticulous assessment,a comprehensive comparison was made between the irradiated and unirradiated Chuanxiong Rhizoma samples.The property characteristics were investigated by colorimeter and electronic nose.The changes in chemical structures and contents was analyzed by fourier infrared spectroscopy,high performance liquid chromatography and fingerprinting.In a quest to uncover the presence of any new radiolysis products,cutting-edge techniques like ultra performance liquid chromatography-quadrupole-time of flight-mass spectrometry and gas chromatography-mass spectrometry were employed.Moreover,the difference of antioxidant activity were investigated.Results:The irradiation doses within 12 kGy had no significant effects on the content of the main chemical components,characteristics and in vitro antioxidant activity of Chuanxiong Rhizoma,while changes in some functional groups and degradation of some volatile oil components containing olefins need further study.Conclusion:This study indicates that^(60)Co-γirradiation is a stable method for sterilization of Chuanxiong Rhizoma.It’s also provide a reference for the establishment of irradiation standards for Chuanxiong Rhizoma and other aromatic medicinal plants.

Water-soluble matter in PM_(2.5)in a coastal city over China:Chemical components,optical properties,and source analysis

Although marine and terrestrial emissions simultaneously affect the formation of atmospheric fine particles in coastal areas,knowledge on the optical properties and sources of water-soluble matter in these areas is still scarce.In this work,taking Qingdao,China as a typical coastal location,the chemical composition of PM_(2.5)duringwinter 2019was analyzed.Excitation-emission matrix fluorescence spectroscopy was combined with parallel factor analysis model to explain the components of water-soluble atmospheric chromophores of PM_(2.5).Our analysis indicated that NO_(3)^(-),NH_(4)^(+)and SO_(4)^(2-)ions accounted for 86.80%of the total ion mass,dominated by NO_(3)^(-).The ratio of[NO_(3)^(-)]/[SO_(4)^(2-)]was up to 2.42±0.84,suggesting thatmobile sources play an important role in local pollutants emission.The result of positive correlation between Abs_(365)with K^(+)suggests that biomass burning is an important source of water-soluble organic compounds(WSOC).Six types of fluorophores(C1-C6),all humic-like substances,were identified in WSOC.Humification index,biological index and fluorescence index in winter were 1.66±0.34,0.51±0.44 and 1.09±0.78,respectively,indicating that WSOC in Qingdao were mainly terrestrial organic matters.Overall,although the study area is close to the ocean,the contribution of terrestrial sources to PM_(2.5),especially vehicle exhaust and coal combustion,is still much higher than that of marine sources.Our study provides a more comprehensive understanding of chemical and optical properties of WSOC based on PM_(2.5)in coastal areas,and may provide ground for improving local air quality.

Profiling and identification of chemical components of Shenshao Tablet and its absorbed components in rats by comprehensive HPLC/DAD/ESI-MS^n analysis

Shenshao Tablet(SST),prepared from Paeoniae Radix Alba(PRA)and total ginsenoside of Ginseng Stems and Leaves(GSL),is a traditional Chinese medicine(TCM)preparation prescribed to treat coronary heart disease.However,its chemical composition and the components that can migrate into blood potentially exerting the therapeutic effects have rarely been elucidated.We developed an HPLC/DAD/ESI-MS^n approach aiming to comprehensively profile and identify both the chemical components of SST and its absorbed ingredients(and metabolites)in rat plasma and urine.Chromatographic separation was performed on an Agilent Eclipse XDB C_(18) column using acetonitrile/0.1% formic acid as the mobile phase.MS detection was conducted in both negative and positive ESI modes to yield more structure information.Comparison with reference compounds(t_R,MS^n),interpretation of the fragmentation pathways,and searching of in-house database,were utilized for more reliable structure elucidation.A total of 82 components,including 21monoterpene glycosides,four galloyl glucoses,two phenols from PRA,and 55 ginsenosides from GSL,were identified or tentatively characterized from the 70% ethanolic extract of SST.Amongst them,seven and 24 prototype compounds could be detectable in the plasma and urine samples,respectively,after oral administration of an SST extract(4 g×kg^(–1))in rats.No metabolites were observed in the rat samples.The findings of this work first unveiled the chemical complexity of SST and its absorbed components,which would be beneficial to understanding the therapeutic basis and quality control of SST.

Study on Chemical Components of Alkaline Nitrobenzene Oxidation from Plantation Woods

This paper deals with the chemical components and the chemical structure of lignin of Chinese fir and Poplar I-214 from plantationforest. The results revealed that the contents ofchemical component in heart wood and sapwood were almost the same except ethanol-benzene extract both in Chinese fir and in Poplar I-214, The contents of ash, holocellulose, α -cellulose, pentosan, ethanol-benzene extract and cold-water extract in Poplar I-214 were higher than that in Chinesefir, The content of lignin in Poplar...

Simultaneous Determination of Six Components in Wanjinxiang Shushuang Ointment by QAMS

[Objectives]To regulate the quality of Wanjinxiang Shushuang Ointment through simultaneously quantifying menthol,camphor,1,8-cineole,linalool,borneol and caryophyllene oxide by QAMS(quantitative analysis of multi-components by single-marker).[Methods]The method was performed using an Agilent DB-WAX(30 m×0.32 mm,0.25μm)polyethylene glycol chromatographic column;with nitrogen employed as a carrier gas.The constant pressure was 4.73 psi;and the injection temperature was 240℃,with a shunt ratio:of 10:1;The hydrogen flame ion detector with a detector temperature of 240℃;the injection volume was 0.3μL.To verify the accuracy and applicability of QAMS,the results were compared with those obtained using the internal standard method(naphthalene).[Results]In Wanjinxiang Shushuang Ointment,menthol,camphor,1,8-cineole,linalool,borneol,caryophyllene oxide and naphthalene were well separated by the same chromatography with good linearity in their respective ranges(R≥0.9992).The average recoveries were 99.66%,101.03%,98.07%,98.24%,101.39%,and 103.39%with RSD s of 0.69%,1.52%,1.25%,1.94%,1.44%,and 2.74%,respectively.The QAMS is similar to the internal standard method.[Conclusions]This simple,accurate method with high precision,separation and reproducibility can serve as a reference for the quality control of Wanjinxiang Shushuang Ointment.

Analysis of Volatile Components in Fresh Fruit of Morinda citrifolia L.from Different Origins Based on HS-SPME-GC/MS

[Objectives]This study was conducted to clarify the differences of volatile components in fresh fruit of Morinda citrifolia L.from different origins.[Methods]The method of HS-SPME-GC/MS detection was used to determine the volatile chemical components in fresh fruit of M.citrifolia.[Results]52,52 and 45 volatile components were identified from the fresh fruit of M.citrifolia from Xisha,Wanning and Haikou,respectively.Among them,the number and content of the identified esters were relatively high,mainly methyl caprylate,ethyl caprylate,4-pentenyl caproate,3-methylbuten-2-enyl caprylate,methyl caproate,and ethyl caproate.There were also fatty acids,alcohols,phenols,ketones,aldehydes and other substances.There were 33 common ingredients in the fruit from the three origins,mainly including caprylic acid,caproic acid,capric acid,methyl caprylate,ethyl caprylate,4-pentenyl caproate,3-methylbutene-2-enyl caprylate,methyl caproate,ethyl caproate,methyl caprate and hexyl caproate.[Conclusions]The types and contents of volatile components in fresh fruit of M.citrifolia from different origins were significantly different.

Determination of the microstructure and chemical composition of tophi

Objective:To explore the tophi in different parts of the human body of microstructure and main chemical components.To lay the foundation for further revealing the inflammatory response mechanism of gout patients.Methods:Use microscope,scanning electron microscope,etc.to observe the microstructure of tophi,and use scanning electron microscope energy spectrum analysis,X-ray fluorescence analysis,X-ray diffraction analysis,etc.to detect and analyze the main crystalline components and chemical elements of tophi.Results:Through HE staining and scanning electron microscopy,the tophi is irregular block shape and its interior is needle shaped and radial.The energy spectrum analysis showed that the main elements of tophi were C,N,O,Na,etc.X-ray fluorescence analysis was used to detect tophi in the knees,elbows,and feet,the main elements of tophi were Cl,S,Ca,P,etc.X-ray diffraction analysis showed that the main crystalline components of tophi were sodium urate hydrate and sodium dihydrogen urate hydrate.Conclusion:The mainly elements of tophi are C,N,O,Na,Ca,Cl,S,P,etc.The main crystalline components of tophi were sodium urate hydrate and sodium dihydrogen urate hydrate.

Advances in Research of Components,Pharmacological Activity and Clinical Application of Vicatia thibetica de Boiss

Vicatia thibetica de Boiss is a Tibetan medicinal herb and mainly contains chemical components such as flavonoids,β-sitosterol and ferulic acid.It has good pharmacological effects such as anti-inflammatory,analgesic,anti-fatigue,anti-oxidation,anti-aging and enhancing immunity.Based on relevant domestic and foreign literature,this paper comprehensively reviews the main components,pharmacological activity and clinical prescription application of V.thibetica de Boiss,to provide a reference for the in-depth research and comprehensive development and utilization of V.thibetica de Boiss.

Research Progress of Pharmacognostical Identification and Chemical Composition of Pholidota cantonensis Rolfe.

Research progress of pharmacognostical identification and chemical composition of Pholidota cantonensis Rolfe. was reviewed. This paper will facilitate assurance of the safety of clinical treatment.

Phytochemical and Pharmacological Properties of Viburnum lantana L.

Viburnum lantana L.(Caprifoliaceae)is a shrub up to 3-5 m tall,with red or black drupes.Researchers have studied the chemical composition of different parts of the plant and found many compounds with novel structures,including chalcone glycosides,iridoid glycosides,and some terpenoids.At the same time,it has been reported that the extracts from different parts of V.lantana have a variety of biological activities,including antioxidant,antimicrobial,and AChE Inhibitory activities.This study reviewed the chemical components and bioactivities of the V.lantana reported in recent years.

Research progress on chemical constituents in Sophora alopecuroides L.and their pharmacological activities

Sophora alopecuroides L.,a perennial plant belonging to Leguminosae family,is used as medicinal materials to treat a variety of skin diseases.Its chemical components are complex and diverse,mainly including alkaloids and flavonoids.Modern pharmacological studies have found that the isolated compounds from S.alopecuroides have a variety of pharmacological activities.In particular,alkaloids represented by matrine,aloperine and oxymatrine have significant anti-inflammatory,anti-viral,anti-tumor,anti-bacterial and immunomodulatory activities.This paper summarized the chemical constituents and pharmacological activities of S.alopecuroides,aiming to provide the basis for further research.

Research Progress on Chemical Constituents and Pharmacological Effects of Zhuang Medicine Cocculus laurifolius DC.

This paper searched and summarized the relevant research literature on the chemical constituents and pharmacological effects of Cocculus laurifolius DC.,and provides a reference for further research on the quality standard of medicinal materials,clinical drug safety and the development and application of new drugs.The main chemical components of C.laurifolius are isoquinoline alkaloids.C.laurifolius has the pharmacological effects such as analgesic,hypotensive,antibacterial,free radical-scavenging activity,anticonvulsant,neuroprotective activity,anxiolytic and hypnotic effects.