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.

Effects of Chemical Components on the Amount of Green Tea Cream

The relationship between the amount of tea cream and the chemical components contents in the original green tea infusion was investigated. The results showed that the amounts of tea cream in the green tea infusions obtained from different cultivars and different parts of new shoots were varied. There were many chemical components participating in the formation of green tea cream. However, there were only the contents of caffeine （Y=0.85, P〈0.01） and polyphenols （Y=0.65, P〈0.05） in the original green tea infusion highly correlated with the amount of green tea cream. Stepwise regression analysis of overall chemical components indicated that the contents of caffeine and gallated catechins in the original green tea infusion had a significant effect （P〈0.01） on green tea cream levels. Cream （g L-1）=-172.071＋ 0.129×Ccaffeine＋0.024×Ggallated catechins （R2=0.936）. The amount of green tea cream can be predicted by the contents of gallated catechins and caffeine in the original tea infusion. Principal component analysis also indicated that catechins, minerals, and polysaccharides were the important chemical components in the formation of green tea cream.

Changes of Polyphenols in Tobacco Leaves During the Flue-Curing Process and Correlation Analysis on Some Chemical Components

The changes of polyphenols in tobacco leaves during the flue-curing process and correlation analysis on some chemical components were studied. Leaf samples were taken from different tobacco-producing regions in Henan Province, China. The results indicated that the content of total phenols increased during the first 24 h of curing, and then decreased. It reached the lowest value at 72 h of curing and increased rapidly after that. The content of chlorogenic acid also increased during 0-24 h of curing. But the lowest point occurred at 60 or 72 h of curing and then it increased till the end of the curing process. The content of mtin generally increased with curing, and showed little fluctuations. The changes of PPO and POD activity were the opposite. Rutin was found to have a highly significant positive correlation with total sugar （r=0.822^＊＊）, but a highly significant negative correlation with starch, nicotine, and protein.

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.

Effects of Leptocybe invasa Damage on Chemical Components of Eucalyptus

[Objective] The aim was to illustrate the relation between Leptocybe invasa and eucalyptus, so as to provide the basis for scientific control of L. invasa. [Method] The chemical components of eucalyptus were extracted by solid phase micro-extraction （SPME） technique and ethanol extraction method, and detected by gas chromatograph-mass spectrometer. The relative contents of various components were determined by area normalization. [Result] When eucalyptus was damaged by L. invasa, not only some substances disappeared, but also new substances were induced. Among 4 induced volatiles, the content of terpinolene was the highest of 37.66%. Eight new chemical substances were also detected from the ethanol extract of damaged leaves, and the content of 3-phenyl-2-propenyl phenpropionate was the highest of 30.95%.[Conclusion] The damage caused by L. invasa had obvious effect on composition and contents of chemical components of eucalyptus.

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.

Comparative Analysis on Chemical Components and Sensory Quality of Aging Flue-Cured Tobacco from Four Main Tobacco Areas of China

Complicated changes are happening during the aging process of flue-cured tobacco （FCT） and understanding of the changing components is of great significance in improving the quality,shortening aging time,and enhancing production and economic efficiency in tobacco industry.The aging samples of FCT from four main producing areas of China,i.e.,Yunnan,Sichuan,Hubei,and Dongbei,were used to study the changing rule of the components such as alkali,acid,and carbohydrate as well as the aroma and their relationship with sensory quality;and based on the correlation among the components and the sensory quality index,multivariable models were established to predict the aging quality.The results showed that the sensory quality of FCT increased steadily during the aging time,and at the same time,the acidic components （total organic acids,volatile acids） increased gradually,while the alkaline substances （nicotine,volatile alkali）,carbohydrate （total sugars,reducing sugar） and pH values showed a downward trend.Correlation analysis found that the sensory quality and pH values were negatively correlated （P0.05）,while the sensory quality with total organic acids and aroma were positively correlated.The optimal model for predicting the quality of FCT was y=56.75-0.63x12＋50.09x2-13.27x22,（y：sensory quality;x1：pH;x2：total organic acids）.The average predicating error was 1.04% with maximum predicating error of 2.89% and the accuracy rate of above 97%.

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.

Gentiana macrophylla Pall.:a review of the basic source,traditional use,chemical components,pharmacological activities and quality control

Gentiana macrophylla Pall.(G.macrophylla),whose genus and family belong to the Gentianaceae and Gentiana.The main distribution centers of G.macrophylla resources were the Loess Plateau and the eastern Qinghai-Tibet Plateau in China.G.macrophylla,as a traditional medicine,has a long history and was used in different ethnic medicines.Its roots were used in traditional Chinese medicine,which had the effect of anti-inflammatory,anti-rheumatism,antiviral,promote blood circulation,eliminate swelling and pain,while its flowers were used in traditional Mongolian medicine,which had the effect of removing“Xieriwusu”(“Xieriwusu”means rheumatism),antiviral,reducing swelling.From previous studies,it could be found that there were more than forty components isolated and identified from G.macrophylla.The main chemical components were iridoids,flavonoids,triterpenoids,steroids,phenylpropanoids,and alkaloids.Iridoid terpenoid components represented by gentiopicroside and Loganic acid were the main components of the root of G.macrophylla,which had anti-inflammatory,antioxidant,hepatoprotective,analgesic,antibacterial and promote gastrointestinal tract activities.The flower mainly contains isoorientin and isovitexin as the representative of flavonoids.They have anti-tumor,liver protection,heart protection,inhibition of acetylcholinesterase and inhibition of melanin.It could be seen from previous studies that the research on G.macrophylla was mainly focused on the root,and the flower was rarely studied.It was reported that the experimental data of the anti-inflammatory and anti-tumor effects of G.macrophylla flowers show that its curative effect was very good.Therefore,the flowers of the flower of G.macrophylla can be used as potential medicinal parts for research.Given that flavonoids are mostly found in flowers and exhibit a range of functions,it is possible to investigate the flowers in order to learn more about G.macrophylla’s potential medical benefits.Based on botanical books,Chinese classic texts,medical monographs and academic search engines(Google,Google Scholar,Web of Science,SciFinder,Pubmed,CNKI,Sci-hub,Elsevier and Wanfang),the data and information on G.macrophylla in the past 20 years are inquired and summarized comprehensively.The basic source,traditional use,chemical composition,biological activity,pharmacodynamics and quality control of G.macrophylla was systematically reviewed,in order to provide reliable basis for the subsequent development and utilization of G.macrophylla.

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.

Chemical Composition and Biological Activities of Essential Oil from the Rhizomes of Iris bulleyana

Iris bulleyana has long been used as a remedy for detoxication and detumescence. Hydrodistillation was used to extract the essential oil from its rhizomes, and 0.23% oil yield was obtained. Using gas chromatography-mass spectrometry （GC- MS） analysis, 31 chemicals including aristolone, cuparene, β-gurjunene, δ-amorphene, α-muurolene, α-cadinol, camphor, γ-elemene, and τ-cadinol were identified. The essential oil exhibited antibacterial activity against Acetobacter calcoacetica, Bacillus subtillis, Clostridium sporogenes, Clostridium perfringens, Escherichia coli, Salmonella typhii, Staphylococcus aureus, and Yersinia enterocolitica. Its antifungal and antioxidant activities were also tested.

Chemical composition and free radicals restraining activity of extracts from three Manglietia species leaves

The extracts from leaves of Manglietia insignis （Wall） Blume, Manglietia chingii Dandy and Manglietia yuyuanensis Law were prepared by organic solvent extraction and their components were analyzed by GC/MS and quantified. Meanwhile, the free radicals restraining activities were detected. The 21 compounds in M. insignis, 36 compounds in M. chigii and 20 compounds in M. yuyuanensis were identified. There were 11 common components in the extracts from three Manglietia species, and 12 components in two Manglietia species. The results of relative contents of every component in three extracts showed that the main constituents of M. insignis were terpenoids and alkene, amounting to 38.93%, followed by alkane （28.18%）, the nitrogen containing compounds （15.73%） and aromatic compounds （7.23 %）. The main constituents of leaf extract from M. chingii were the terpenoids and alkene, carboxylic acid, alkane and aromatic compounds, amounting to 30.22%, 14.17%, 13.87% and 13.29%, respectively, The main constituents of M. yuyuanensis were alcohol compounds, the terpenoids and alkene, and aromatic compounds, amounting to 28.00%, 25.38% and 18.00% respectively. The results showed that the three extracts had strong function of restraining oxygen free radicals. The ultra oxygen anions activity was restrained at the highest level, when the three extracts were diluted by hundred-fold, whereas the restraining capacity of hydroxyl free radicals reached maximum, when the three extracts were diluted by twenty-fold. The above results provide scientific evidences for further approaching the ecological healthy function of three MangUetia species