MK-1 molecule(C_(16)H_(16)O_(2)),the simplest structure of vitamin K(VK)compound family,is an extract from traditional Chinese medicine Cymbopogon distans(Nees ex Steud.)Wats(Chinese name YunXiangCao),which has attrac...MK-1 molecule(C_(16)H_(16)O_(2)),the simplest structure of vitamin K(VK)compound family,is an extract from traditional Chinese medicine Cymbopogon distans(Nees ex Steud.)Wats(Chinese name YunXiangCao),which has attracted a great deal of attention in recent years due to its antiasthmatic,antitussives and expectorant effects.To investigate the molecular structure and chemical reactivity of MK-1 molecule,computational investigations on six conformational minima structures were carried out at the MP2/6-311++G(2d,2p)level of theory.Several local reactivity descriptors including condensed Fukui function,average local ionization energy,and molecular electrostatic potential on each individual atom were determined to predict the intrinsic reactivity of MK-1 molecule.展开更多
Chromatographic fingerprinting has been perceived as an essential tool for assessing quality and chemical equivalence of traditional Chinese medicine.However,this pattern-oriented approach still has some weak points i...Chromatographic fingerprinting has been perceived as an essential tool for assessing quality and chemical equivalence of traditional Chinese medicine.However,this pattern-oriented approach still has some weak points in terms of chemical coverage and robustness.In this work,we proposed a multiple reaction monitoring(MRM)-based fingerprinting method in which approximately 100 constituents were simultaneously detected for quality assessment.The derivative MRM approach was employed to rapidly design MRM transitions independent of chemical standards,based on which the large-scale fingerprinting method was efficiently established.This approach was exemplified on QiShenYiQi Pill(QSYQ),a traditional Chinese medicine-derived drug product,and its robustness was systematically evaluated by four indices:clustering analysis by principal component analysis,similarity analysis by the congruence coefficient,the number of separated peaks,and the peak area proportion of separated peaks.Compared with conventional ultraviolet-based fingerprints,the MRM fingerprints provided not only better discriminatory capacity for the tested normal/abnormal QSYQ samples,but also higher robustness under different chromatographic conditions(i.e.,flow rate,apparent pH,column temperature,and column).The result also showed for such large-scale fingerprints including a large number of peaks,the angle cosine measure after min-max normalization was more suitable for setting a decision criterion than the unnormalized algorithm.This proof-of-concept application gives evidence that combining MRM technique with proper similarity analysis metrices can provide a highly sensitive,robust and comprehensive analytical approach for quality assessment of traditional Chinese medicine.展开更多
The similarities of the non-linear chemical (NLC) fingerprints of Radix Glycyrrhizaes from four producing areas and eight other traditional Chinese medicines (TCMs) were calculated,using a systemic similarity calculat...The similarities of the non-linear chemical (NLC) fingerprints of Radix Glycyrrhizaes from four producing areas and eight other traditional Chinese medicines (TCMs) were calculated,using a systemic similarity calculation method proposed and three other main calculation ones (Euclidean distance,correlation coefficient and included angle cosine). All of the correlation coefficient similarities of different TCMs are higher than 0.952,and the included angle cosines are all higher than 0.962. So,both the correlation coefficient and included angle cosine similarities are unable to be used as the criteria for quantitatively evaluating the similarities of NLC fingerprints of TCMs. Although all of the Euclidean distance similarities of Berry Liquorices from four producing areas are less than 73,those of the other eight TCMs are all more than 180. The Euclidean distance cannot reflect the relative magnitudes of the feature differences in the NLC fingerprints very correctly. The systemic similarity method is the best among the four ones. All of the systemic similarities of Berry Liquorices from the four producing areas are higher than 0.962,while those of the other eight TCMs are all lower than 0.805,and the systemic similarity can reflect the differences between samples most faithfully,and can be used as a quantitative one evaluating the similarities of NLC fingerprints of TCMs,by which TCM could be distinguished and evaluated quickly,simply and exactly.展开更多
A specialty database has been established at The Hong Kong University of Science and Technology to handle the chemical and biological data of medicinal plants and other natural products from scientific literatures. De...A specialty database has been established at The Hong Kong University of Science and Technology to handle the chemical and biological data of medicinal plants and other natural products from scientific literatures. Designed as a relational system capable of analyzing, comparing, and correlating data, the system can retrieve information in assimilated tabular formats. The database can provide information supports to researchers in the fields of medicinal chemistry, biochemistry, pharmacology, botany and other disciplines of natural products research.展开更多
Traditional Chinese Medicine prescription Suanzaoren decoction (SZRD) is composed of Ziziphi Spinosae Semen, Chuanxiong Rhizoma, Anemarrhenae rhizoma, Poria and Licorice. It was used to treat central nervous system di...Traditional Chinese Medicine prescription Suanzaoren decoction (SZRD) is composed of Ziziphi Spinosae Semen, Chuanxiong Rhizoma, Anemarrhenae rhizoma, Poria and Licorice. It was used to treat central nervous system diseases such as insomnia and anxiety for thousands of years. This paper aims to systematically understand varieties and quantities of compounds and clarify chemical components of SZRD, subsequently to further provide the reference for phytochemistry and pharmacology researches of SZRD. Our results showed that SZRD contained 145 components, including flavonoids, triterpenoids, steroids, coumarins, phthalides, and volatile oils, etc., while five-single herbs contain 1104 components. Only in terms of compound number, there were 80 common components in SZRD and its five herbs, which accounted for 6.8% of total compounds in all 5 herbs and 55.2% of compounds in SZRD. The components of SZRD were not simply the sum of one in every single herb. It is necessary to perform parallel studies among SZRD and its herbs. This review discussed the problems that existed in the chemical research of SZRD and pointed out the direction for its further research.展开更多
The goal of this paper is to explore the relationship between the inorganic elemental fingerprint and the geographical origin identification of Meretricis concha,which is a commonly used marine traditional Chinese med...The goal of this paper is to explore the relationship between the inorganic elemental fingerprint and the geographical origin identification of Meretricis concha,which is a commonly used marine traditional Chinese medicine(TCM) for the treatment of asthma and scald burns.For that,the inorganic elemental contents of Meretricis concha from five sampling points in Jiaozhou Bay have been determined by means of inductively coupled plasma optical emission spectrometry,and the comparative investigations based on the contents of 14 inorganic elements(Al,As,Cd,Co,Cr,Cu,Fe,Hg,Mn,Mo,Ni,Pb,Se and Zn) of the samples from Jiaozhou Bay and the previous reported Rushan Bay were performed.It has been found that the samples from the two bays are approximately classified into two kinds using hierarchical cluster analysis,and a four-factor model based on principle component analysis could explain approximately 75% of the detection data,also linear discriminant analysis can be used to develop a prediction model to distinguish the samples from Jiaozhou Bay and Rushan Bay with accuracy of about 93%.The results of the present investigation suggested that the inorganic elemental fingerprint based on the combination of the measured elemental content and chemometric analysis is a promising approach for verifying the geographical origin of Meretricis concha,and this strategy should be valuable for the authenticity discrimination of some marine TCM.展开更多
Meretricis concha is a kind of marine traditional Chinese medicine(TCM), and has been commonly used for the treatment of asthma and scald burns. In order to investigate the relationship between the inorganic elemental...Meretricis concha is a kind of marine traditional Chinese medicine(TCM), and has been commonly used for the treatment of asthma and scald burns. In order to investigate the relationship between the inorganic elemental fingerprint and the geographical origin identification of Meretricis concha, the elemental contents of M. concha from five sampling points in Rushan Bay have been determined by means of inductively coupled plasma optical emission spectrometry(ICP-OES). Based on the contents of 14 inorganic elements(Al, As, Cd, Co, Cr, Cu, Fe, Hg, Mn, Mo, Ni, Pb, Se, and Zn), the inorganic elemental fingerprint which well reflects the elemental characteristics was constructed. All the data from the five sampling points were discriminated with accuracy through hierarchical cluster analysis(HCA) and principle component analysis(PCA), indicating that a four-factor model which could explain approximately 80% of the detection data was established, and the elements Al, As, Cd, Cu, Ni and Pb could be viewed as the characteristic elements. This investigation suggests that the inorganic elemental fingerprint combined with multivariate statistical analysis is a promising method for verifying the geographical origin of M. concha, and this strategy should be valuable for the authenticity discrimination of some marine TCM.展开更多
In order to investigate the relationship between the trace elements and the characteristics of the oysters, we analyzed the trace elements present in the germplasm of oysters from different producing areas in the Jiao...In order to investigate the relationship between the trace elements and the characteristics of the oysters, we analyzed the trace elements present in the germplasm of oysters from different producing areas in the Jiaozhou Bay. The element fingerprints were established to reflect the elemental characteristics of the oysters. Concentration patterns of the elements were deciphered by principle component analysis (PCA) and hierarchical cluster analysis (HCA). The six regions were discriminated with accuracy using HCA and PCA based on the concentration of 16 trace elements. The elements were viewed as characteristic elements of the oysters and the fingerprints of these elements could be used to distinguish the quality of the oysters.展开更多
Objective:To set up a database of three-dimensional fluorescence spectra of traditional Chinese medicines,Screening of medicinal materials by three-dimensional fluorescence spectroscopy,Methods:The paper Summarizes th...Objective:To set up a database of three-dimensional fluorescence spectra of traditional Chinese medicines,Screening of medicinal materials by three-dimensional fluorescence spectroscopy,Methods:The paper Summarizes the three-dimensional fluorescence fingerprints,screens medicinal materials on basis of verifying the three-dimensional fluorescence spectra of the reference crude herbs of the national standard Chinese medicines,and combines with visual basic6.0 and microsoft access 2003 technology system to construct a three-dimensional fluorescence fingerprint database of TCMs.Results:the identification and quality control of traditional Chinese medicines(TCMs)was accuately and swiftly achieved.Conclusion:The relevant analysis on the operating system of database and the three-dimensional fluorescence spectrum database of TCMs indicates that this operating system can provide convenient channels for the inspection,verification and quality control of TCMs.展开更多
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 c...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.展开更多
At the level of in vitro drug screening,the development of a phenotypic analysis system with highcontent screening at the core provides a strong platform to support high-throughput drug screening.There are few systema...At the level of in vitro drug screening,the development of a phenotypic analysis system with highcontent screening at the core provides a strong platform to support high-throughput drug screening.There are few systematic reports on brain organoids,as a new three-dimensional in vitro model,in terms of model stability,key phenotypic fingerprint,and drug screening schemes,and particula rly rega rding the development of screening strategies for massive numbers of traditional Chinese medicine monomers.This paper reviews the development of brain organoids and the advantages of brain organoids over induced neurons or cells in simulated diseases.The paper also highlights the prospects from model stability,induction criteria of brain organoids,and the screening schemes of brain organoids based on the characteristics of brain organoids and the application and development of a high-content screening system.展开更多
After thousands of years of development, traditional Chinese medicines (TCMs) have evolved into a complete scientific system characterized by multiple components, targets, and pathways, which mediates numerous pharm...After thousands of years of development, traditional Chinese medicines (TCMs) have evolved into a complete scientific system characterized by multiple components, targets, and pathways, which mediates numerous pharmacological activities and efficacies. The development of "-omics" technology, including systems biology and network pharmacology, has enabled the illustration of TCMs from a more systematic view. Although the network adequately reflects the overall philosophy of TCMs, its complexity hinders the relevant research to a hover. In addition, the strategies involved appear to be in contrast to the original concise and efficacious disease therapy oriented focus on classic Chinese material medica (CMM). Based on the established holistic view and reductionism, in this review, we discuss an integrated systems biology and chemical biology research approach that will facilitate and accelerate the understanding of the mechanisms of TCMs. Furthermore, we are optimistic that it will elucidate the associated interactions between active natural products and their targets, and ultimately improve the strategies for complex disease therapies.展开更多
The thermodynamic systems and kinetic model suitable for the electrochemical token of the compo-nent throng in Chinese traditional medicines have been analyzed. It has been indicated that the damp oscillatory reaction...The thermodynamic systems and kinetic model suitable for the electrochemical token of the compo-nent throng in Chinese traditional medicines have been analyzed. It has been indicated that the damp oscillatory reactions in the non-equilibrium close system and open system without the supplement of dissipative substance have important significance for the throng token and analysis of chemical com-ponents in Chinese traditional medicines. Various factors influencing the electrochemical fingerprint,such as reactant species and their concentrations,electrode types,temperature,stir rate,the kind,dosage and granularity of Chinese traditional medicines,have amply been researched by the B-Z os-cillatory reaction which used malonic acid as a main dissipative substance. In addition,the quantitative information about the chemical components in Chinese traditional medicines has been discussed in detail. The method and its conditions for determining the electrochemical fingerprint used in scientifi-cally distinguishing and evaluating Chinese traditional medicines have successfully been put forward.展开更多
In regard to such challenging analysis problems as scientific identification and quality evaluation of Chinese traditional medicine, the electrochemical fingerprint technique of Chinese traditional medi- cine has been...In regard to such challenging analysis problems as scientific identification and quality evaluation of Chinese traditional medicine, the electrochemical fingerprint technique of Chinese traditional medi- cine has been researched. The principle, traits, functions, etc., of the electrochemical fingerprint have detailedly been analyzed and discussed by the B-Z oscillatory system using malonic acid as main dissipation substance, characterized by the fact that different influences of different Chinese traditional medicines on the mechanism of the oscillatory reaction cause different changes of the shape of the potential-time curve of the oscillatory system under the conditions of constant tem- perature and pressure. An economical, simple and convenient, easy pushing and effective scientific method for distinguishing and evaluating multifarious Chinese traditional medicines has success- fully been put forward.展开更多
Traditional Chinese medicines(TCMs)have played an important role in the treatment of diseases for thousands of years.With the rise of the combination therapy for multi-gene diseases,TCMs attracted more attentions grad...Traditional Chinese medicines(TCMs)have played an important role in the treatment of diseases for thousands of years.With the rise of the combination therapy for multi-gene diseases,TCMs attracted more attentions gradually.However,TCMs is a complex system which could contain tens,or even hundreds of compounds.Selection of chemical markers is thus a key to the展开更多
文摘MK-1 molecule(C_(16)H_(16)O_(2)),the simplest structure of vitamin K(VK)compound family,is an extract from traditional Chinese medicine Cymbopogon distans(Nees ex Steud.)Wats(Chinese name YunXiangCao),which has attracted a great deal of attention in recent years due to its antiasthmatic,antitussives and expectorant effects.To investigate the molecular structure and chemical reactivity of MK-1 molecule,computational investigations on six conformational minima structures were carried out at the MP2/6-311++G(2d,2p)level of theory.Several local reactivity descriptors including condensed Fukui function,average local ionization energy,and molecular electrostatic potential on each individual atom were determined to predict the intrinsic reactivity of MK-1 molecule.
基金financially supported by the National Natural Science Foundation of China(Grant No.81803714)the Fundamental Research Funds for the Central Universities(Grant No.2019QNA7041).
文摘Chromatographic fingerprinting has been perceived as an essential tool for assessing quality and chemical equivalence of traditional Chinese medicine.However,this pattern-oriented approach still has some weak points in terms of chemical coverage and robustness.In this work,we proposed a multiple reaction monitoring(MRM)-based fingerprinting method in which approximately 100 constituents were simultaneously detected for quality assessment.The derivative MRM approach was employed to rapidly design MRM transitions independent of chemical standards,based on which the large-scale fingerprinting method was efficiently established.This approach was exemplified on QiShenYiQi Pill(QSYQ),a traditional Chinese medicine-derived drug product,and its robustness was systematically evaluated by four indices:clustering analysis by principal component analysis,similarity analysis by the congruence coefficient,the number of separated peaks,and the peak area proportion of separated peaks.Compared with conventional ultraviolet-based fingerprints,the MRM fingerprints provided not only better discriminatory capacity for the tested normal/abnormal QSYQ samples,but also higher robustness under different chromatographic conditions(i.e.,flow rate,apparent pH,column temperature,and column).The result also showed for such large-scale fingerprints including a large number of peaks,the angle cosine measure after min-max normalization was more suitable for setting a decision criterion than the unnormalized algorithm.This proof-of-concept application gives evidence that combining MRM technique with proper similarity analysis metrices can provide a highly sensitive,robust and comprehensive analytical approach for quality assessment of traditional Chinese medicine.
基金Project(2009GJD20033) supported by the National Science and Technology Ministry of China
文摘The similarities of the non-linear chemical (NLC) fingerprints of Radix Glycyrrhizaes from four producing areas and eight other traditional Chinese medicines (TCMs) were calculated,using a systemic similarity calculation method proposed and three other main calculation ones (Euclidean distance,correlation coefficient and included angle cosine). All of the correlation coefficient similarities of different TCMs are higher than 0.952,and the included angle cosines are all higher than 0.962. So,both the correlation coefficient and included angle cosine similarities are unable to be used as the criteria for quantitatively evaluating the similarities of NLC fingerprints of TCMs. Although all of the Euclidean distance similarities of Berry Liquorices from four producing areas are less than 73,those of the other eight TCMs are all more than 180. The Euclidean distance cannot reflect the relative magnitudes of the feature differences in the NLC fingerprints very correctly. The systemic similarity method is the best among the four ones. All of the systemic similarities of Berry Liquorices from the four producing areas are higher than 0.962,while those of the other eight TCMs are all lower than 0.805,and the systemic similarity can reflect the differences between samples most faithfully,and can be used as a quantitative one evaluating the similarities of NLC fingerprints of TCMs,by which TCM could be distinguished and evaluated quickly,simply and exactly.
文摘A specialty database has been established at The Hong Kong University of Science and Technology to handle the chemical and biological data of medicinal plants and other natural products from scientific literatures. Designed as a relational system capable of analyzing, comparing, and correlating data, the system can retrieve information in assimilated tabular formats. The database can provide information supports to researchers in the fields of medicinal chemistry, biochemistry, pharmacology, botany and other disciplines of natural products research.
文摘Traditional Chinese Medicine prescription Suanzaoren decoction (SZRD) is composed of Ziziphi Spinosae Semen, Chuanxiong Rhizoma, Anemarrhenae rhizoma, Poria and Licorice. It was used to treat central nervous system diseases such as insomnia and anxiety for thousands of years. This paper aims to systematically understand varieties and quantities of compounds and clarify chemical components of SZRD, subsequently to further provide the reference for phytochemistry and pharmacology researches of SZRD. Our results showed that SZRD contained 145 components, including flavonoids, triterpenoids, steroids, coumarins, phthalides, and volatile oils, etc., while five-single herbs contain 1104 components. Only in terms of compound number, there were 80 common components in SZRD and its five herbs, which accounted for 6.8% of total compounds in all 5 herbs and 55.2% of compounds in SZRD. The components of SZRD were not simply the sum of one in every single herb. It is necessary to perform parallel studies among SZRD and its herbs. This review discussed the problems that existed in the chemical research of SZRD and pointed out the direction for its further research.
基金supported by the National Natural Science Foundation of China(No.51273184)the National Natural Science Foundation of China Shandong Joint Fund for Marine Science Research Centers(No.U1406402)
文摘The goal of this paper is to explore the relationship between the inorganic elemental fingerprint and the geographical origin identification of Meretricis concha,which is a commonly used marine traditional Chinese medicine(TCM) for the treatment of asthma and scald burns.For that,the inorganic elemental contents of Meretricis concha from five sampling points in Jiaozhou Bay have been determined by means of inductively coupled plasma optical emission spectrometry,and the comparative investigations based on the contents of 14 inorganic elements(Al,As,Cd,Co,Cr,Cu,Fe,Hg,Mn,Mo,Ni,Pb,Se and Zn) of the samples from Jiaozhou Bay and the previous reported Rushan Bay were performed.It has been found that the samples from the two bays are approximately classified into two kinds using hierarchical cluster analysis,and a four-factor model based on principle component analysis could explain approximately 75% of the detection data,also linear discriminant analysis can be used to develop a prediction model to distinguish the samples from Jiaozhou Bay and Rushan Bay with accuracy of about 93%.The results of the present investigation suggested that the inorganic elemental fingerprint based on the combination of the measured elemental content and chemometric analysis is a promising approach for verifying the geographical origin of Meretricis concha,and this strategy should be valuable for the authenticity discrimination of some marine TCM.
基金supposed by the Program for Science and Technology of Shandong Province (2011GHY11521)the Department of Education of Shandong Province (No. J11LB07)the Natural Science Foundation of Qingdao City (Nos. 12-1-3-52-(1)-nsh and 12-1-4-16-(7)-jch)
文摘Meretricis concha is a kind of marine traditional Chinese medicine(TCM), and has been commonly used for the treatment of asthma and scald burns. In order to investigate the relationship between the inorganic elemental fingerprint and the geographical origin identification of Meretricis concha, the elemental contents of M. concha from five sampling points in Rushan Bay have been determined by means of inductively coupled plasma optical emission spectrometry(ICP-OES). Based on the contents of 14 inorganic elements(Al, As, Cd, Co, Cr, Cu, Fe, Hg, Mn, Mo, Ni, Pb, Se, and Zn), the inorganic elemental fingerprint which well reflects the elemental characteristics was constructed. All the data from the five sampling points were discriminated with accuracy through hierarchical cluster analysis(HCA) and principle component analysis(PCA), indicating that a four-factor model which could explain approximately 80% of the detection data was established, and the elements Al, As, Cd, Cu, Ni and Pb could be viewed as the characteristic elements. This investigation suggests that the inorganic elemental fingerprint combined with multivariate statistical analysis is a promising method for verifying the geographical origin of M. concha, and this strategy should be valuable for the authenticity discrimination of some marine TCM.
基金the financial support from the National Natural Science Foundation of China (No.21071133)the Department of Education of Shandong Province,China (No.J11LB07)
文摘In order to investigate the relationship between the trace elements and the characteristics of the oysters, we analyzed the trace elements present in the germplasm of oysters from different producing areas in the Jiaozhou Bay. The element fingerprints were established to reflect the elemental characteristics of the oysters. Concentration patterns of the elements were deciphered by principle component analysis (PCA) and hierarchical cluster analysis (HCA). The six regions were discriminated with accuracy using HCA and PCA based on the concentration of 16 trace elements. The elements were viewed as characteristic elements of the oysters and the fingerprints of these elements could be used to distinguish the quality of the oysters.
基金Supported by Key research project of hainan province,a pilot trial on the development of the health-care and anti-inflammatory products of Clinacanthus nutans ferment,S100007043008。
文摘Objective:To set up a database of three-dimensional fluorescence spectra of traditional Chinese medicines,Screening of medicinal materials by three-dimensional fluorescence spectroscopy,Methods:The paper Summarizes the three-dimensional fluorescence fingerprints,screens medicinal materials on basis of verifying the three-dimensional fluorescence spectra of the reference crude herbs of the national standard Chinese medicines,and combines with visual basic6.0 and microsoft access 2003 technology system to construct a three-dimensional fluorescence fingerprint database of TCMs.Results:the identification and quality control of traditional Chinese medicines(TCMs)was accuately and swiftly achieved.Conclusion:The relevant analysis on the operating system of database and the three-dimensional fluorescence spectrum database of TCMs indicates that this operating system can provide convenient channels for the inspection,verification and quality control of TCMs.
基金support from the Shanxi Provincial Science and Technology Key Research and Development Plan(Grant Nos.:201603D3113006 and 201903D311012)。
文摘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.
基金supported by the National Natural Science Foundation of China,No.32000498the Startup Funding of Zhejiang University City College,No.210000-581849 (both to CG)National College Students’Innovative Entrepreneurial Training Plan Program,No.2021 13021024 (to JQZ)。
文摘At the level of in vitro drug screening,the development of a phenotypic analysis system with highcontent screening at the core provides a strong platform to support high-throughput drug screening.There are few systematic reports on brain organoids,as a new three-dimensional in vitro model,in terms of model stability,key phenotypic fingerprint,and drug screening schemes,and particula rly rega rding the development of screening strategies for massive numbers of traditional Chinese medicine monomers.This paper reviews the development of brain organoids and the advantages of brain organoids over induced neurons or cells in simulated diseases.The paper also highlights the prospects from model stability,induction criteria of brain organoids,and the screening schemes of brain organoids based on the characteristics of brain organoids and the application and development of a high-content screening system.
基金National Natural Science Foundation of China(No.81373506,81374046,81303291,81430095,81473403)State Key Program of National Natural Science of China(No.81430095)
文摘After thousands of years of development, traditional Chinese medicines (TCMs) have evolved into a complete scientific system characterized by multiple components, targets, and pathways, which mediates numerous pharmacological activities and efficacies. The development of "-omics" technology, including systems biology and network pharmacology, has enabled the illustration of TCMs from a more systematic view. Although the network adequately reflects the overall philosophy of TCMs, its complexity hinders the relevant research to a hover. In addition, the strategies involved appear to be in contrast to the original concise and efficacious disease therapy oriented focus on classic Chinese material medica (CMM). Based on the established holistic view and reductionism, in this review, we discuss an integrated systems biology and chemical biology research approach that will facilitate and accelerate the understanding of the mechanisms of TCMs. Furthermore, we are optimistic that it will elucidate the associated interactions between active natural products and their targets, and ultimately improve the strategies for complex disease therapies.
基金Supported by the National Natural Science Foundation of China (Grant Nos. 20175036 and 20235020)
文摘The thermodynamic systems and kinetic model suitable for the electrochemical token of the compo-nent throng in Chinese traditional medicines have been analyzed. It has been indicated that the damp oscillatory reactions in the non-equilibrium close system and open system without the supplement of dissipative substance have important significance for the throng token and analysis of chemical com-ponents in Chinese traditional medicines. Various factors influencing the electrochemical fingerprint,such as reactant species and their concentrations,electrode types,temperature,stir rate,the kind,dosage and granularity of Chinese traditional medicines,have amply been researched by the B-Z os-cillatory reaction which used malonic acid as a main dissipative substance. In addition,the quantitative information about the chemical components in Chinese traditional medicines has been discussed in detail. The method and its conditions for determining the electrochemical fingerprint used in scientifi-cally distinguishing and evaluating Chinese traditional medicines have successfully been put forward.
基金Supported by the National Natural Science Foundation of China (Grant Nos. 20175036 and 20235020)
文摘In regard to such challenging analysis problems as scientific identification and quality evaluation of Chinese traditional medicine, the electrochemical fingerprint technique of Chinese traditional medi- cine has been researched. The principle, traits, functions, etc., of the electrochemical fingerprint have detailedly been analyzed and discussed by the B-Z oscillatory system using malonic acid as main dissipation substance, characterized by the fact that different influences of different Chinese traditional medicines on the mechanism of the oscillatory reaction cause different changes of the shape of the potential-time curve of the oscillatory system under the conditions of constant tem- perature and pressure. An economical, simple and convenient, easy pushing and effective scientific method for distinguishing and evaluating multifarious Chinese traditional medicines has success- fully been put forward.
文摘Traditional Chinese medicines(TCMs)have played an important role in the treatment of diseases for thousands of years.With the rise of the combination therapy for multi-gene diseases,TCMs attracted more attentions gradually.However,TCMs is a complex system which could contain tens,or even hundreds of compounds.Selection of chemical markers is thus a key to the