Identifying the compound formulae-related xenobiotics in bio-samples is full of challenges.Conventional strategies always exhibit the insufficiencies in overall coverage,analytical efficiency,and degree of automation,...Identifying the compound formulae-related xenobiotics in bio-samples is full of challenges.Conventional strategies always exhibit the insufficiencies in overall coverage,analytical efficiency,and degree of automation,and the results highly rely on the personal knowledge and experience.The goal of this work was to establish a software-aided approach,by integrating ultra-high performance liquid chromatography/ion-mobility quadrupole time-of-flight mass spectrometry(UHPLC/IM-QTOF-MS)and in-house high-definition MS^(2) library,to enhance the identification of prototypes and metabolites of the compound formulae in vivo,taking Sishen formula(SSF)as a template.Seven different MS2 acquisition methods were compared,which demonstrated the potency of a hybrid scan approach(namely high-definition data-independent/data-dependent acquisition(HDDIDDA))in the identification precision,MS1 coverage,and MS^(2) spectra quality.The HDDIDDA data for 55 reference compounds,four component drugs,and SSF,together with the rat bio-samples(e.g.,plasma,urine,feces,liver,and kidney),were acquired.Based on the UNIFI™platform(Waters),the efficient data processing workflows were established by combining mass defect filtering(MDF)-induced classification,diagnostic product ions(DPIs),and neutral loss filtering(NLF)-dominated structural confirmation.The high-definition MS^(2) spectral libraries,dubbed in vitro-SSF and in vivo-SSF,were elaborated,enabling the efficient and automatic identification of SSF-associated xenobiotics in diverse rat bio-samples.Consequently,118 prototypes and 206 metabolites of SSF were identified,with the identification rate reaching 80.51%and 79.61%,respectively.The metabolic pathways mainly involved the oxidation,reduction,hydrolysis,sulfation,methylation,demethylation,acetylation,glucuronidation,and the combined reactions.Conclusively,the proposed strategy can drive the identification of compound formulae-related xenobiotics in vivo in an intelligent manner.展开更多
Objective: To explore the main chemical compounds in Xiaoer Qixing Cha Formulae (XQCF), and investigate its mechanisms for the treatment of infantile functional dyspepsia (IFD). Methods: The chemical components were i...Objective: To explore the main chemical compounds in Xiaoer Qixing Cha Formulae (XQCF), and investigate its mechanisms for the treatment of infantile functional dyspepsia (IFD). Methods: The chemical components were identified by UPLC-QTOF/MS analytic technique. Targets of the compounds were screened from TCMSP and SWISS database, and disease targets were screened from OMIM and TTD online database. Candidate targets of compounds were mapped to the disease targets as predict therapeutic targets for XQCF. Several networks were constructed and analyzed by Cytoscape ver. 3.2.1. Meanwhile, prescription compatibility in XQCF was interpreted from the network perspective based on distribution of the number of targets. Furthermore, Gene Ontology (GO) enrichment analysis and KEGG pathway analysis were operated via Clue Go to illustrate complex relationships between the potential targets and pharmacological mechanisms. Results: A total of fifty-three compounds were recognized or tentatively characterized belonging to XQCF based on MS data and online chemical database. Sixty-three therapeutic targets were screened. AKT1, FOS, SLC6A4, COMT and 5-HT receptors were focused as therapeutic targets of XQCF. Pathways including carbohydrate digestion and absorption, serotonergic synapse, calcium signaling pathway and cAMP signaling pathway were predicted as significant regulatory pathways. The results indicated that the predicted targets and pathways related in brain-gut axis to a great extent, which could be potential pharmacological mechanism of XQCF for the treatment of IFD. Conclusions: The findings in this study provided the experimental and theoretical basis for further research for XQCF. Those also illustrated a reasonable method worth intensive study on pharmacodynamic mechanisms of TCM Formulae.展开更多
The purpose of this paper is to study a new strategy to construct embedded cubature formulae over two-dimensional regions. A new kind of embedded cubature formulae with some nodes along the selected algebraic curve is...The purpose of this paper is to study a new strategy to construct embedded cubature formulae over two-dimensional regions. A new kind of embedded cubature formulae with some nodes along the selected algebraic curve is constructed. Some examples on the unit disk are presented to illustrate the validity of this strategy.展开更多
In the present study, 28 Chinese medicinal herbs belonging to traditional Chinese medicine(TCM) for the treatment of type 2 diabetes were selected to explore the application of network pharmacology in developing new C...In the present study, 28 Chinese medicinal herbs belonging to traditional Chinese medicine(TCM) for the treatment of type 2 diabetes were selected to explore the application of network pharmacology in developing new Chinese herbal medicine formulae for the treatment of type 2 diabetes mellitus(T2DM). These herbs have the highest appearance rate in the literature, and their compounds are listed. The human protein–protein interaction network and the T2DM disease protein interaction network were constructed. Then, the related algorithm for network topology was used to perform interventions on the interaction network of disease proteins and normal human proteins to test different Chinese herbal medicine compound combinations, according to the information on the interaction of compounds–targets in two databases, namely TarN et and the Medicinal Plants Database. Results of the intervention scores indicate that the method proposed in this study can provide new effective combinations of Chinese herbal medicines for T2DM. Network pharmacology can effectively promote the modernization and development of TCM.展开更多
The non-uniqueness of solution and compatibility between the coupled boundary conditions in computing velocity potential and streamfunction from horizontal velocity in a limited domain of arbitrary shape are revisited...The non-uniqueness of solution and compatibility between the coupled boundary conditions in computing velocity potential and streamfunction from horizontal velocity in a limited domain of arbitrary shape are revisited theoretically with rigorous mathematic treatments.Classic integral formulas and their variants are used to formulate solutions for the coupled problems.In the absence of data holes,the total solution is the sum of two integral solutions.One is the internally induced solution produced purely and uniquely by the domain internal divergence and vorticity,and its two components（velocity potential and streamfunction） can be constructed by applying Green＇s function for Poisson equation in unbounded domain to the divergence and vorticity inside the domain.The other is the externally induced solution produced purely but non-uniquely by the domain external divergence and vorticity,and the non-uniqueness is caused by the harmonic nature of the solution and the unknown divergence and vorticity distributions outside the domain.By setting either the velocity potential（or streamfunction） component to zero,the other component of the externally induced solution can be expressed by the imaginary（or real） part of the Cauchy integral constructed using the coupled boundary conditions and solvability conditions that exclude the internally induced solution.The streamfunction（or velocity potential） for the externally induced solution can also be expressed by the boundary integral of a double-layer（or singlelayer） density function.In the presence of data holes,the total solution includes a data-hole-induced solution in addition to the above internally and externally induced solutions.展开更多
TCM formulae are the important guidances for clinical application of traditional Chinese medicines,which follow the principles of diagnosis and treatment in TCM.Elucidating the bio-active components of TCM formulae is...TCM formulae are the important guidances for clinical application of traditional Chinese medicines,which follow the principles of diagnosis and treatment in TCM.Elucidating the bio-active components of TCM formulae is the key to the modernization and internationalization of traditional Chinese medicines.With the rapid development of modern instruments and technology,many new theories,methods and strategies are emerging,which upgrade the research of TCM formulae into a higher level.Only when the medicinal efficacy,bio-active components,function mechanism of TCM formulae are understood,we can guarantee TCM safety and quality control.In this paper,we summarized the latest modern research thoughts and methods on bio-active components of TCM formulae including formula decomposition study,serum pharmacology and serum pharmacochemistry,association analysis,biochro-matography,network pharmacology,metabolomics and proteomics,so as to provide reference for the research and development of TCM in the future.展开更多
An interaction function was constructed based on the axial compression/tension and shear loads of orthotropic plates.The coefficients of the polynomial function were determined by uniaxial test results.Buckling intera...An interaction function was constructed based on the axial compression/tension and shear loads of orthotropic plates.The coefficients of the polynomial function were determined by uniaxial test results.Buckling interaction and failure interaction formulae under combined axial tension/compression and shear loads were established.Based on the uniaxial load test results of orthotropic plates,the buckling load and bearing capacity under any proportion of the combined loads could be predicted by using the proposed interaction formulae.The buckling interaction curves and failure envelopes predicted by the proposed interaction formulae were in excellent agreement with the test results.展开更多
OBJECTIVE: To investigate the therapeutic efficacy of Tiaobu Feishen formulae(TBFS) on cigarette smoke-induced inflammation in vitro using lipopolysaccharide(LPS)-induced and cigarette smoke extract(CSE)-induced NCI-H...OBJECTIVE: To investigate the therapeutic efficacy of Tiaobu Feishen formulae(TBFS) on cigarette smoke-induced inflammation in vitro using lipopolysaccharide(LPS)-induced and cigarette smoke extract(CSE)-induced NCI-H292 cells.METHODS: We evaluated the inhibitory effects of Bufei Jianpi formula(BJF), Bufei Yishen formula(BYF), and Yiqi Zishen formula(YZF) on the expressions of inflammatory cytokines including tumor necrosis factor(TNF)-α and interleukin(IL)-8, matrix metalloproteinase(MMP)-9, tissue inhibitor of matrix metalloprotease(TIMP)-1, and superoxide dismutase(SOD) in H292 cells stimulated with LPS or CSE. Their related transcription factors and signaling pathways were also analyzed.RESULTS: BJF, BYF, and YZF significantly inhibited the LPS-or CSE-induced expressions of TNF-α, IL-8,MMP-9, TIMP-1, and SOD in H292 cells, and suppressed the activation of transcription factors including nuclear transcription factor(NF)-κB, activator protein(AP)-1, and signal transducers and activators of transcription(STAT) 3 and their corresponding pathways, including NF-κB, mitogen-activated protein kinase(MAPK), STAT3, and peroxisome proliferator-activated receptor(PPAR).CONCLUSION: BJF, BYF, and YZF effectively suppressed inflammatory responses, protease-antiprotease imbalance, and oxidative stress induced by LPS and CSE, an effect that was closely associated with the inhibition of the NF-κB, MAPK, STAT3, and PPAR pathways.展开更多
Mycoplasma gallisepticum HS strain(MG-HS)is a pathogen that causes chronic respiratory disease(CRD)in chicken,which is characterized by host respiratory inflammatory damage,brings huge economic losses to the poultry i...Mycoplasma gallisepticum HS strain(MG-HS)is a pathogen that causes chronic respiratory disease(CRD)in chicken,which is characterized by host respiratory inflammatory damage,brings huge economic losses to the poultry industry.Recently,emerging Chinese herbal medicines(CHM)have been used to treat CRD.This study was aimed to investigate the preventive and therapeutic effects and their potential mechanisms of Chinese herbal medicinal formulae(CHMF),which consisted of 10 kinds of Chinese herbal medicine including Scutellaria,Houttuynia cordate and licorice,on MGinduced CRD in chickens.With respect to the preventive effect,the results showed that CHMF could effectively recover the MG-induced decrease on body weight and feed conversion ratio.Histopathological analysis showed that both prevention and treatment of CHMF could significantly alleviate the severe respiratory inflammation induced by MG infection.Moreover,compared with the MG infection group,both the prevention groups and the treatment groups of CHMF could effectively reduce the expression of MG adhesion protein(p MGA1.2)to inhibit the proliferation of MG,and thus effectively inhibit the expression of MG-induced inflammatory factors interleukin-1β(IL-1β)and tumour necrosis factor-α(TNF-α).In summary,these findings confirm that CHMF can protect chickens from various tissue damage caused by MG infection and has no adverse effects on the performance of chickens in the short term.And its efficacy against MG is equal to or better than that of tiamulin.展开更多
Fifteen formulae of wave transmission coefficient for submerged breakwaters obtained during last 3 decades are presented, compared, and analyzed in this paper. The dimensionless parameters mainly involved in this disc...Fifteen formulae of wave transmission coefficient for submerged breakwaters obtained during last 3 decades are presented, compared, and analyzed in this paper. The dimensionless parameters mainly involved in this discussion are the relative submerged depth Re/h, relative wave height Rc/Hi, relative rubble size B/D50, relative breakwater width B√ HiL0 and wave breaker index ξ. It indicates that there exist notable differences among the computed results, which mainly originate from the limited experimental conditions and different analytical methods, even though the major tendency keeps similar. It is necessary to conduct more systematic studies to obtain better understanding about the mechanism of wave transmission over submerged breakwaters.展开更多
The therapeutic actions of Qing Luo Yin (QLY清络饮) with heat property and Wen Luo Yin (WLY温络饮) with cold property on pain, swelling of the ankle, arthritis index and ultrastructures of synoviocytes were compared i...The therapeutic actions of Qing Luo Yin (QLY清络饮) with heat property and Wen Luo Yin (WLY温络饮) with cold property on pain, swelling of the ankle, arthritis index and ultrastructures of synoviocytes were compared in rats of type II collagen-induced arthritis (CIA), with tripterygium glycosidorum (TG) used as control. The results indicated that both QLY and WLY could reduce pain, swelling of the ankle and the arthritis index of CIA, and QLY had better effects in reducing the swelling of the ankle and controlling the secondary pathological lesions as compared with WLY. Investigation on the ultrastructures of synoviocytes indicated that both QLY and WLY could reduce the number of Golgi apparatus, rough surface endoplasmic reticulum, dense bodies, matrix filaments and vacuoles so as to suppress the excessive secretion of synoviocytes in rats of CIA.展开更多
With its long-term empirical clinical practice and increasing number of health benefits reported,Chinese Materia Medica(CMM)is gaining increasing global acceptance.Importantly,the identification of chemical constituen...With its long-term empirical clinical practice and increasing number of health benefits reported,Chinese Materia Medica(CMM)is gaining increasing global acceptance.Importantly,the identification of chemical constituents in vitro and exposed forms in vivo is a prerequisite for understanding how CMM formulae prevent and treat diseases.This review systematically summarizes the exciting and magical journey of CMM components from compound formulae to where they fight,the possible structural transformation of CMM components in vitro and in vivo,and their pharmacological contribution.When a decoction is prepared,significant chemical reactions are observed,including degradation and production of polymers and self-assembling supramolecules,leading to the construction of a component library with diverse decoction structures.After ingestion,compounds pass through the intestinal and blood-brain barriers and undergo a more wonderful journey involving the gut microbiota,microbial enzymes,and endogenous drug-metabolizing enzymes(mainly liver enzymes).At this stage,they are modified and assembled into novel and complex compounds,such as newly generated metabolites,conjugates,and self-assembling superamolecules.This review might provide a strategic orientation to explore the active compounds of CMM formulae in vivo.展开更多
General interpolation formulae for barycentric interpolation and barycen- tric rational Hermite interpolation are established by introducing multiple parameters, which include many kinds of barycentric interpolation a...General interpolation formulae for barycentric interpolation and barycen- tric rational Hermite interpolation are established by introducing multiple parameters, which include many kinds of barycentric interpolation and barycentric rational Her- mite interpolation. We discussed the interpolation theorem, dual interpolation and special cases. Numerical example is given to show the effectiveness of the method.展开更多
Objective:To develop new therapeutic strategies for diabetes mellitus(DM)by analyzing the mechanisms of action of traditional Chinese medicine(TCM)'xiaoke'formulae(TCM prescriptions for remedying xiaoke).Metho...Objective:To develop new therapeutic strategies for diabetes mellitus(DM)by analyzing the mechanisms of action of traditional Chinese medicine(TCM)'xiaoke'formulae(TCM prescriptions for remedying xiaoke).Methods:We characterized 291 xiaoke formulae,including the herbs contained,chemical composition,constituents'targets,and corresponding genes.Xiaoke-related genes were retrieved based on the relationships of constituents'targets and xiaoke formulae,and a threshold of over 95.88%occurrence of each constituent target in the 291 TCM formulae served as a definition for xiaoke-related genes.Upon comparison with DM-related genes in the DisGeNET database,the genes differing in expression between cases administered TCM and synthetic drugs were explored using a TCM grammar system.Results:The results showed that xiaoke formulae and 14 exclusively xiaoke-related genes were significantly associated with multiple biological processes closely related to DM and diabetic complications(P<.01).Moreover,intervention in the expression of these xiaoke-related genes would affect DM-related genes directly or indirectly.Conclusion:The 14 xiaoke-related genes APEX1,EHMT2,TSHR,CBX1,FEN1,GMNN,JUN,KMT2A,MAPT,POLl,USP1,PIN1,POLB,and POLK can serve as candidate genes for antidiabetic drug design.Compared with DM-related genes in DisGeNET,intervention in the expression of 14 xiaoke-related genes by TCM formulae has the potential to not only lower blood glucose,but also reduce the occurrence of some side effects and inhibit the development of diabetic complications.These findings will contribute to the discovery of new strategies for treating DM.展开更多
Objective To analyze various herbal combinations in Treatise on Exogenous Febrile Diseases(Shang Han Lun,《伤寒论》)and Synopsis of Prescriptions of the Golden Chamber(Jin Gui Yao Lve,《金匮要略》),seeking to identify...Objective To analyze various herbal combinations in Treatise on Exogenous Febrile Diseases(Shang Han Lun,《伤寒论》)and Synopsis of Prescriptions of the Golden Chamber(Jin Gui Yao Lve,《金匮要略》),seeking to identify fundamental rules dictating the selection of herbal combinations through probability models and big data technology.Methods A total of 252 formulae were collected from Treatise on Exogenous Febrile Diseases(Shang Han Lun,《伤寒论》)and Synopsis of Prescriptions of the Golden Chamber(Jin Gui Yao Lve,《金匮要略》)by ZHANG Zhong-Jing.Formulae were then preprocessed with all herb names standardized.The concepts of candidate herb pair and candidate herb pair probability were proposed to analyze the rules of combinations in classical formulae based on probability statistics.MapReduce parallel computing framework of distributed big data technology was adopted to analyze large data samples combined with inverted index algorithm.Results The results showed that the core herbs were Glycyrrhizae Radix Rhizoma(Gan Cao,甘草),Cinnamomi Ramulus(Gui Zhi,桂枝),Zingiberis Rhizoma Recens(Sheng Jiang,生姜),Jujubae Fructus(Da Zao,大枣),Paeoniae Radix Alba(Bai Shao,白芍),etc.43 high-frequency pairs co-occurring 10 times or above were extracted,and 35 of these combinations were recognized as traditional herb pairs,such as Cinnamomi Ramulus(Gui Zhi,桂枝)-Glycyrrhizae Radix Rhizoma(Gan Cao,甘草),Zingiberis Rhizoma Recens(Sheng Jiang,生姜)-Jujubae Fructus(Da Zao,大枣),and Cinnamomi Ramulus(Gui Zhi,桂枝)-Ginseng Radix Et Rhizoma(Ren Shen,人参).The other 8 pairs of combinations,such as Paeoniae Radix Alba(Bai Shao,白芍)-Zingiberis Rhizoma Recens(Sheng Jiang,生姜),Paeoniae Radix Alba(Bai Shao,白芍)-Jujubae Fructus(Da Zao,大枣),and Zingiberis Rhizoma Recens(Sheng Jiang,生姜)-Ginseng Radix Et Rhizoma(Ren Shen,人参),were not defined traditionally,but in connection with commonly used herbs.Classical formulae took the core herbs as principles,focusing on tonifying deficiency,strengthening the spleen and the stomach,strengthening the healthy Qi,and eliminating pathogenic factors.The compatibility pattern of properties involved was mainly acrid and sweet,which reflected the compatibility laws of benefiting Qi and tonifying Yang,replenishing Qi and nourishing blood,etc.Conclusions The research of classical formulae provides common understanding of some basic rules that have been adopted to tackle common illnesses/diseases using herbal medicine.The results help to reinforce theoretical understanding and development of traditional Chinese medicine(TCM),and revealing the hidden rules of combination in TCM data.Analyzing wider data samples of various herbal combinations through computation and big data technology can further optimize the use of TCM.展开更多
In this paper, a further investigation for the number of Derangements and Bell numbers is performed, and some new recursion formulae for the number of Derangements and Bell numbers are established by applying the gene...In this paper, a further investigation for the number of Derangements and Bell numbers is performed, and some new recursion formulae for the number of Derangements and Bell numbers are established by applying the generating function methods and Pade approximation techniques. Illustrative special cases of the main results are also presented.展开更多
This investigation was carried out to evaluate some different seasoning made of onion, garlic, red chili, oregano, marjoram, basil, rosemary, cumin and black pepper to give light and healthy formulae to add to instant...This investigation was carried out to evaluate some different seasoning made of onion, garlic, red chili, oregano, marjoram, basil, rosemary, cumin and black pepper to give light and healthy formulae to add to instant indomie noodle. Antioxidants were assessed in raw materials and their formulae, also sensory properties were evaluated in different instant indomie noodle seasoning formulae. The results in raw materials explored that the seasoning contains large amounts of antioxidants content, total carotenoids, volatile oil and antioxidant activity compared with the commercial formula. Corn oil was used as a carrier for the commercial formula and separated three tested spice formulae in ratio 1:100 w/w. Three chosen tested formulas;onion, garlic, red chili 1);oregano, marjoram, basil 2) and rosemary, cumin, black pepper 3) were used in the research. The results indicated that formula 3 has higher antioxidant activity (119.00%) than formula 1 and 2 (83.33% and 62.33%, respectively). Meanwhile, the results from sensory evaluation showed that no significant difference appeared from the different spice formulae. Biological experiment was carried out for these formulae and measured the liver reduced glutathione (GSH), superoxide dismutase (SOD), malonaldehyde (MDA), serum liver enzymes aspartate and alanine aminotransferases and alkaline phosphatase (AST, ALT and ALP), serum total protein, albumin and globulin also, renal function (uric acid, urea and creatinine) in rats fed on basal diet including oil carried the commercial formula or instant indomie noodle tested seasoning formulae. The results illustrated that the different instant indomie noodle seasoning formulae gave better results than the commercial formula in liver and renal functions. It could be recommended that consuming the suggested different seasoning formulae instead of the commercial questioned one as sodium glutamate prevent many harmful effects. It should be done occasionally, especially when the need for indomie noodles arises especially for children. This is because it contains the necessary nutrients as antioxidants and acceptable taste for healthy living in moderate proportion.展开更多
Traditional Chinese medicine(TCM)has become very popular in the treatment of complex diseases worldwide in recent decades.Despite the promising performance of TCM,how herbs work synergistically in a formula and their ...Traditional Chinese medicine(TCM)has become very popular in the treatment of complex diseases worldwide in recent decades.Despite the promising performance of TCM,how herbs work synergistically in a formula and their therapeutic targets remain ambiguous.This largely limits the correct use and modernization of TCM formulas clinically.The study of disassembled prescriptions is important for investigating the compatibility theory of Chinese medicines.By dissecting the mechanisms of TCM formulae,the compatibility principles of some well-known formulae,such as Realgar-Indigo naturalis,have been elucidated to a certain extent.In this review,several common methods of disassembled prescription studies are summarized,including those of single herb or mineral,sub-prescription,active ingredients or effective parts,large formulae,and systems pharmacology studies,as well as the methods of grouping based on the properties or efficacy of Chinese medicines,in order to provide evidence for formulae study.Moreover,some challenges to be addressed in disassembled prescriptions studies have been identified in this review.展开更多
In this article, we study the (2+1)-extension of Burgers equation and the KPequation. At first, based on a known Baecklund transformation and corresponding Lax pair, aninvariance which depends on two arbitrary functio...In this article, we study the (2+1)-extension of Burgers equation and the KPequation. At first, based on a known Baecklund transformation and corresponding Lax pair, aninvariance which depends on two arbitrary functions for (2+1)-extension of Burgers equation isworked out. Given a known solution and using the invariance, we can find solutions of the(2+1)-extension of Burgers equation repeatedly. Secondly, we put forward an invariance of Burgersequation which cannot be directly obtained by constraining the invariance of the (2+1)-extension ofBurgers equation. Furthermore, we reveal that the invariance for finding the solutions of Burgersequation can help us find the solutions of KP equation. At last, based on the invariance of Burgersequation, the corresponding recursion formulae for finding solutions of KP equation are digged out.As the application of our theory, some examples have been put forward in this article and somesolutions of the (2+1)-extension of Burgers equation, Burgers equation and KP equation are obtained.展开更多
In this paper, with the help of the eigenvalue properties of orthogonal tensors in n-dimensional Euclidean space and the representations of the orthogonal tensors in 2-dimensional space, the canonical representations ...In this paper, with the help of the eigenvalue properties of orthogonal tensors in n-dimensional Euclidean space and the representations of the orthogonal tensors in 2-dimensional space, the canonical representations of orthogonal tensors in n-dimensional Euclidean space are easily gotten. The paper also gives all the constraint relationships among the principal invariants of arbitrarily given orthogonal tensor by use of Cayley-Hamilton theorem; these results make it possible to solve all the eigenvalues of any orthogonal tensor based on a quite reduced equation of m-th order, where m is the integer part ofn \2. Finally, the formulae of the degree of freedom of orthogonal tensors are given.展开更多
基金This work was financially supported by National Natural Science Foundation of China(Grant No.:82192914)Tianjin Outstanding Youth Fund(Grant No.:23JCJQJC00030)the Innovation Team and Talents Cultivation Program of National Administration of Traditional Chinese Medicine(Grant No.:ZYYCXTD-C-202009).
文摘Identifying the compound formulae-related xenobiotics in bio-samples is full of challenges.Conventional strategies always exhibit the insufficiencies in overall coverage,analytical efficiency,and degree of automation,and the results highly rely on the personal knowledge and experience.The goal of this work was to establish a software-aided approach,by integrating ultra-high performance liquid chromatography/ion-mobility quadrupole time-of-flight mass spectrometry(UHPLC/IM-QTOF-MS)and in-house high-definition MS^(2) library,to enhance the identification of prototypes and metabolites of the compound formulae in vivo,taking Sishen formula(SSF)as a template.Seven different MS2 acquisition methods were compared,which demonstrated the potency of a hybrid scan approach(namely high-definition data-independent/data-dependent acquisition(HDDIDDA))in the identification precision,MS1 coverage,and MS^(2) spectra quality.The HDDIDDA data for 55 reference compounds,four component drugs,and SSF,together with the rat bio-samples(e.g.,plasma,urine,feces,liver,and kidney),were acquired.Based on the UNIFI™platform(Waters),the efficient data processing workflows were established by combining mass defect filtering(MDF)-induced classification,diagnostic product ions(DPIs),and neutral loss filtering(NLF)-dominated structural confirmation.The high-definition MS^(2) spectral libraries,dubbed in vitro-SSF and in vivo-SSF,were elaborated,enabling the efficient and automatic identification of SSF-associated xenobiotics in diverse rat bio-samples.Consequently,118 prototypes and 206 metabolites of SSF were identified,with the identification rate reaching 80.51%and 79.61%,respectively.The metabolic pathways mainly involved the oxidation,reduction,hydrolysis,sulfation,methylation,demethylation,acetylation,glucuronidation,and the combined reactions.Conclusively,the proposed strategy can drive the identification of compound formulae-related xenobiotics in vivo in an intelligent manner.
基金Financial supported by the National Natural Science Foundation of China (Grant No.81673872and 81460659)Department of Education Guangdong of Province (Grant No. YQ2013043)Department of Science and Technology of Tibet autonomous region (Grant No.2016ZR-ZY-01).
文摘Objective: To explore the main chemical compounds in Xiaoer Qixing Cha Formulae (XQCF), and investigate its mechanisms for the treatment of infantile functional dyspepsia (IFD). Methods: The chemical components were identified by UPLC-QTOF/MS analytic technique. Targets of the compounds were screened from TCMSP and SWISS database, and disease targets were screened from OMIM and TTD online database. Candidate targets of compounds were mapped to the disease targets as predict therapeutic targets for XQCF. Several networks were constructed and analyzed by Cytoscape ver. 3.2.1. Meanwhile, prescription compatibility in XQCF was interpreted from the network perspective based on distribution of the number of targets. Furthermore, Gene Ontology (GO) enrichment analysis and KEGG pathway analysis were operated via Clue Go to illustrate complex relationships between the potential targets and pharmacological mechanisms. Results: A total of fifty-three compounds were recognized or tentatively characterized belonging to XQCF based on MS data and online chemical database. Sixty-three therapeutic targets were screened. AKT1, FOS, SLC6A4, COMT and 5-HT receptors were focused as therapeutic targets of XQCF. Pathways including carbohydrate digestion and absorption, serotonergic synapse, calcium signaling pathway and cAMP signaling pathway were predicted as significant regulatory pathways. The results indicated that the predicted targets and pathways related in brain-gut axis to a great extent, which could be potential pharmacological mechanism of XQCF for the treatment of IFD. Conclusions: The findings in this study provided the experimental and theoretical basis for further research for XQCF. Those also illustrated a reasonable method worth intensive study on pharmacodynamic mechanisms of TCM Formulae.
基金Supported by the Natural Science Foundation of China(Grant Nos.6103301211171052)+1 种基金Specialized Research Fund for the Doctoral Program of Higher Education(Grant No.20100041110036)the Fundamental Research Funds for the Central Universities
文摘The purpose of this paper is to study a new strategy to construct embedded cubature formulae over two-dimensional regions. A new kind of embedded cubature formulae with some nodes along the selected algebraic curve is constructed. Some examples on the unit disk are presented to illustrate the validity of this strategy.
基金supported by the National Natural Sciences Foundation of China(No.81374011)
文摘In the present study, 28 Chinese medicinal herbs belonging to traditional Chinese medicine(TCM) for the treatment of type 2 diabetes were selected to explore the application of network pharmacology in developing new Chinese herbal medicine formulae for the treatment of type 2 diabetes mellitus(T2DM). These herbs have the highest appearance rate in the literature, and their compounds are listed. The human protein–protein interaction network and the T2DM disease protein interaction network were constructed. Then, the related algorithm for network topology was used to perform interventions on the interaction network of disease proteins and normal human proteins to test different Chinese herbal medicine compound combinations, according to the information on the interaction of compounds–targets in two databases, namely TarN et and the Medicinal Plants Database. Results of the intervention scores indicate that the method proposed in this study can provide new effective combinations of Chinese herbal medicines for T2DM. Network pharmacology can effectively promote the modernization and development of TCM.
基金supported by the Office of Naval Research (Grant No. N000141010778) to the University of Oklahomathe National Natural Sciences Foundation of China (Grant Nos. 40930950,41075043,and 4092116037) to the Institute of Atmospheric Physicsprovided by NOAA/Office of Oceanic and Atmospheric Research under NOAA-University of Oklahoma Cooperative Agreement (No. NA17RJ1227),U.S. Department of Commerce
文摘The non-uniqueness of solution and compatibility between the coupled boundary conditions in computing velocity potential and streamfunction from horizontal velocity in a limited domain of arbitrary shape are revisited theoretically with rigorous mathematic treatments.Classic integral formulas and their variants are used to formulate solutions for the coupled problems.In the absence of data holes,the total solution is the sum of two integral solutions.One is the internally induced solution produced purely and uniquely by the domain internal divergence and vorticity,and its two components（velocity potential and streamfunction） can be constructed by applying Green＇s function for Poisson equation in unbounded domain to the divergence and vorticity inside the domain.The other is the externally induced solution produced purely but non-uniquely by the domain external divergence and vorticity,and the non-uniqueness is caused by the harmonic nature of the solution and the unknown divergence and vorticity distributions outside the domain.By setting either the velocity potential（or streamfunction） component to zero,the other component of the externally induced solution can be expressed by the imaginary（or real） part of the Cauchy integral constructed using the coupled boundary conditions and solvability conditions that exclude the internally induced solution.The streamfunction（or velocity potential） for the externally induced solution can also be expressed by the boundary integral of a double-layer（or singlelayer） density function.In the presence of data holes,the total solution includes a data-hole-induced solution in addition to the above internally and externally induced solutions.
基金supported by the Key Research and Development Program of Shaanxi(No.2019ZDLSF04-05)the National Natural Science Foundation of China(No.81974522),the Subject Innovation Team of Shaanxi University of Chinese Medi-cine(No.2019-YL10)the Youth Innovation Team of Shaanxi Universities(2020).
文摘TCM formulae are the important guidances for clinical application of traditional Chinese medicines,which follow the principles of diagnosis and treatment in TCM.Elucidating the bio-active components of TCM formulae is the key to the modernization and internationalization of traditional Chinese medicines.With the rapid development of modern instruments and technology,many new theories,methods and strategies are emerging,which upgrade the research of TCM formulae into a higher level.Only when the medicinal efficacy,bio-active components,function mechanism of TCM formulae are understood,we can guarantee TCM safety and quality control.In this paper,we summarized the latest modern research thoughts and methods on bio-active components of TCM formulae including formula decomposition study,serum pharmacology and serum pharmacochemistry,association analysis,biochro-matography,network pharmacology,metabolomics and proteomics,so as to provide reference for the research and development of TCM in the future.
文摘An interaction function was constructed based on the axial compression/tension and shear loads of orthotropic plates.The coefficients of the polynomial function were determined by uniaxial test results.Buckling interaction and failure interaction formulae under combined axial tension/compression and shear loads were established.Based on the uniaxial load test results of orthotropic plates,the buckling load and bearing capacity under any proportion of the combined loads could be predicted by using the proposed interaction formulae.The buckling interaction curves and failure envelopes predicted by the proposed interaction formulae were in excellent agreement with the test results.
基金Supported by National Natural Science Fund of China(No.81130062,81603473,81403367)Outstanding Traditional Chinese Medicine Academic Leader Program of Henan Province(No.HNZYLJ201301001)the National Key Technology R&D Program during the 12th Five-Year Plan Period(No.2014BAI10B06)。
文摘OBJECTIVE: To investigate the therapeutic efficacy of Tiaobu Feishen formulae(TBFS) on cigarette smoke-induced inflammation in vitro using lipopolysaccharide(LPS)-induced and cigarette smoke extract(CSE)-induced NCI-H292 cells.METHODS: We evaluated the inhibitory effects of Bufei Jianpi formula(BJF), Bufei Yishen formula(BYF), and Yiqi Zishen formula(YZF) on the expressions of inflammatory cytokines including tumor necrosis factor(TNF)-α and interleukin(IL)-8, matrix metalloproteinase(MMP)-9, tissue inhibitor of matrix metalloprotease(TIMP)-1, and superoxide dismutase(SOD) in H292 cells stimulated with LPS or CSE. Their related transcription factors and signaling pathways were also analyzed.RESULTS: BJF, BYF, and YZF significantly inhibited the LPS-or CSE-induced expressions of TNF-α, IL-8,MMP-9, TIMP-1, and SOD in H292 cells, and suppressed the activation of transcription factors including nuclear transcription factor(NF)-κB, activator protein(AP)-1, and signal transducers and activators of transcription(STAT) 3 and their corresponding pathways, including NF-κB, mitogen-activated protein kinase(MAPK), STAT3, and peroxisome proliferator-activated receptor(PPAR).CONCLUSION: BJF, BYF, and YZF effectively suppressed inflammatory responses, protease-antiprotease imbalance, and oxidative stress induced by LPS and CSE, an effect that was closely associated with the inhibition of the NF-κB, MAPK, STAT3, and PPAR pathways.
基金supported by the National Natural Science Foundation of China(31972681)the National Key Research and Development Program of China(2017YFD0501500)。
文摘Mycoplasma gallisepticum HS strain(MG-HS)is a pathogen that causes chronic respiratory disease(CRD)in chicken,which is characterized by host respiratory inflammatory damage,brings huge economic losses to the poultry industry.Recently,emerging Chinese herbal medicines(CHM)have been used to treat CRD.This study was aimed to investigate the preventive and therapeutic effects and their potential mechanisms of Chinese herbal medicinal formulae(CHMF),which consisted of 10 kinds of Chinese herbal medicine including Scutellaria,Houttuynia cordate and licorice,on MGinduced CRD in chickens.With respect to the preventive effect,the results showed that CHMF could effectively recover the MG-induced decrease on body weight and feed conversion ratio.Histopathological analysis showed that both prevention and treatment of CHMF could significantly alleviate the severe respiratory inflammation induced by MG infection.Moreover,compared with the MG infection group,both the prevention groups and the treatment groups of CHMF could effectively reduce the expression of MG adhesion protein(p MGA1.2)to inhibit the proliferation of MG,and thus effectively inhibit the expression of MG-induced inflammatory factors interleukin-1β(IL-1β)and tumour necrosis factor-α(TNF-α).In summary,these findings confirm that CHMF can protect chickens from various tissue damage caused by MG infection and has no adverse effects on the performance of chickens in the short term.And its efficacy against MG is equal to or better than that of tiamulin.
文摘Fifteen formulae of wave transmission coefficient for submerged breakwaters obtained during last 3 decades are presented, compared, and analyzed in this paper. The dimensionless parameters mainly involved in this discussion are the relative submerged depth Re/h, relative wave height Rc/Hi, relative rubble size B/D50, relative breakwater width B√ HiL0 and wave breaker index ξ. It indicates that there exist notable differences among the computed results, which mainly originate from the limited experimental conditions and different analytical methods, even though the major tendency keeps similar. It is necessary to conduct more systematic studies to obtain better understanding about the mechanism of wave transmission over submerged breakwaters.
文摘The therapeutic actions of Qing Luo Yin (QLY清络饮) with heat property and Wen Luo Yin (WLY温络饮) with cold property on pain, swelling of the ankle, arthritis index and ultrastructures of synoviocytes were compared in rats of type II collagen-induced arthritis (CIA), with tripterygium glycosidorum (TG) used as control. The results indicated that both QLY and WLY could reduce pain, swelling of the ankle and the arthritis index of CIA, and QLY had better effects in reducing the swelling of the ankle and controlling the secondary pathological lesions as compared with WLY. Investigation on the ultrastructures of synoviocytes indicated that both QLY and WLY could reduce the number of Golgi apparatus, rough surface endoplasmic reticulum, dense bodies, matrix filaments and vacuoles so as to suppress the excessive secretion of synoviocytes in rats of CIA.
基金supported by the National Natural Science Foundation of China(81873192 and 81202877)Postgraduate Research and Innovation Project of Tianjin(2021YJSB288 and YJSKC-20211004)the Science and Technology Program of Tianjin(Grant No.20ZYJDJC00070)
文摘With its long-term empirical clinical practice and increasing number of health benefits reported,Chinese Materia Medica(CMM)is gaining increasing global acceptance.Importantly,the identification of chemical constituents in vitro and exposed forms in vivo is a prerequisite for understanding how CMM formulae prevent and treat diseases.This review systematically summarizes the exciting and magical journey of CMM components from compound formulae to where they fight,the possible structural transformation of CMM components in vitro and in vivo,and their pharmacological contribution.When a decoction is prepared,significant chemical reactions are observed,including degradation and production of polymers and self-assembling supramolecules,leading to the construction of a component library with diverse decoction structures.After ingestion,compounds pass through the intestinal and blood-brain barriers and undergo a more wonderful journey involving the gut microbiota,microbial enzymes,and endogenous drug-metabolizing enzymes(mainly liver enzymes).At this stage,they are modified and assembled into novel and complex compounds,such as newly generated metabolites,conjugates,and self-assembling superamolecules.This review might provide a strategic orientation to explore the active compounds of CMM formulae in vivo.
基金supported by the grant of Key Scientific Research Foundation of Education Department of Anhui Province, No. KJ2014A210
文摘General interpolation formulae for barycentric interpolation and barycen- tric rational Hermite interpolation are established by introducing multiple parameters, which include many kinds of barycentric interpolation and barycentric rational Her- mite interpolation. We discussed the interpolation theorem, dual interpolation and special cases. Numerical example is given to show the effectiveness of the method.
基金the National Natural Science Foundation of China(81673697 and 81373985).
文摘Objective:To develop new therapeutic strategies for diabetes mellitus(DM)by analyzing the mechanisms of action of traditional Chinese medicine(TCM)'xiaoke'formulae(TCM prescriptions for remedying xiaoke).Methods:We characterized 291 xiaoke formulae,including the herbs contained,chemical composition,constituents'targets,and corresponding genes.Xiaoke-related genes were retrieved based on the relationships of constituents'targets and xiaoke formulae,and a threshold of over 95.88%occurrence of each constituent target in the 291 TCM formulae served as a definition for xiaoke-related genes.Upon comparison with DM-related genes in the DisGeNET database,the genes differing in expression between cases administered TCM and synthetic drugs were explored using a TCM grammar system.Results:The results showed that xiaoke formulae and 14 exclusively xiaoke-related genes were significantly associated with multiple biological processes closely related to DM and diabetic complications(P<.01).Moreover,intervention in the expression of these xiaoke-related genes would affect DM-related genes directly or indirectly.Conclusion:The 14 xiaoke-related genes APEX1,EHMT2,TSHR,CBX1,FEN1,GMNN,JUN,KMT2A,MAPT,POLl,USP1,PIN1,POLB,and POLK can serve as candidate genes for antidiabetic drug design.Compared with DM-related genes in DisGeNET,intervention in the expression of 14 xiaoke-related genes by TCM formulae has the potential to not only lower blood glucose,but also reduce the occurrence of some side effects and inhibit the development of diabetic complications.These findings will contribute to the discovery of new strategies for treating DM.
基金funding support from the Key Technology Research and Development Program from Ministry of Science and Technology of the People’s Republic of China (No. 2017YFC1703306)Key Project of Science and Technology of Hunan Province (No. 2017SK2111)+2 种基金Natural Science Foundation of Hunan Province (No. 2018JJ2301)Scientific Research Foundation of Hunan Provincial Education Department (No. 18A227, No. 18C0380 and No. 18K070)Open Fund for Computer Science and Technology of Hunan University of Chinese Medicine (No. 2018JK04)
文摘Objective To analyze various herbal combinations in Treatise on Exogenous Febrile Diseases(Shang Han Lun,《伤寒论》)and Synopsis of Prescriptions of the Golden Chamber(Jin Gui Yao Lve,《金匮要略》),seeking to identify fundamental rules dictating the selection of herbal combinations through probability models and big data technology.Methods A total of 252 formulae were collected from Treatise on Exogenous Febrile Diseases(Shang Han Lun,《伤寒论》)and Synopsis of Prescriptions of the Golden Chamber(Jin Gui Yao Lve,《金匮要略》)by ZHANG Zhong-Jing.Formulae were then preprocessed with all herb names standardized.The concepts of candidate herb pair and candidate herb pair probability were proposed to analyze the rules of combinations in classical formulae based on probability statistics.MapReduce parallel computing framework of distributed big data technology was adopted to analyze large data samples combined with inverted index algorithm.Results The results showed that the core herbs were Glycyrrhizae Radix Rhizoma(Gan Cao,甘草),Cinnamomi Ramulus(Gui Zhi,桂枝),Zingiberis Rhizoma Recens(Sheng Jiang,生姜),Jujubae Fructus(Da Zao,大枣),Paeoniae Radix Alba(Bai Shao,白芍),etc.43 high-frequency pairs co-occurring 10 times or above were extracted,and 35 of these combinations were recognized as traditional herb pairs,such as Cinnamomi Ramulus(Gui Zhi,桂枝)-Glycyrrhizae Radix Rhizoma(Gan Cao,甘草),Zingiberis Rhizoma Recens(Sheng Jiang,生姜)-Jujubae Fructus(Da Zao,大枣),and Cinnamomi Ramulus(Gui Zhi,桂枝)-Ginseng Radix Et Rhizoma(Ren Shen,人参).The other 8 pairs of combinations,such as Paeoniae Radix Alba(Bai Shao,白芍)-Zingiberis Rhizoma Recens(Sheng Jiang,生姜),Paeoniae Radix Alba(Bai Shao,白芍)-Jujubae Fructus(Da Zao,大枣),and Zingiberis Rhizoma Recens(Sheng Jiang,生姜)-Ginseng Radix Et Rhizoma(Ren Shen,人参),were not defined traditionally,but in connection with commonly used herbs.Classical formulae took the core herbs as principles,focusing on tonifying deficiency,strengthening the spleen and the stomach,strengthening the healthy Qi,and eliminating pathogenic factors.The compatibility pattern of properties involved was mainly acrid and sweet,which reflected the compatibility laws of benefiting Qi and tonifying Yang,replenishing Qi and nourishing blood,etc.Conclusions The research of classical formulae provides common understanding of some basic rules that have been adopted to tackle common illnesses/diseases using herbal medicine.The results help to reinforce theoretical understanding and development of traditional Chinese medicine(TCM),and revealing the hidden rules of combination in TCM data.Analyzing wider data samples of various herbal combinations through computation and big data technology can further optimize the use of TCM.
基金Supported by the National Natural Science Foundation of China(Grant Nos.1132605011071194)the Foundation for Fostering Talents in Kunming University of Science and Technology(Grant No.KKSY201307047)
文摘In this paper, a further investigation for the number of Derangements and Bell numbers is performed, and some new recursion formulae for the number of Derangements and Bell numbers are established by applying the generating function methods and Pade approximation techniques. Illustrative special cases of the main results are also presented.
文摘This investigation was carried out to evaluate some different seasoning made of onion, garlic, red chili, oregano, marjoram, basil, rosemary, cumin and black pepper to give light and healthy formulae to add to instant indomie noodle. Antioxidants were assessed in raw materials and their formulae, also sensory properties were evaluated in different instant indomie noodle seasoning formulae. The results in raw materials explored that the seasoning contains large amounts of antioxidants content, total carotenoids, volatile oil and antioxidant activity compared with the commercial formula. Corn oil was used as a carrier for the commercial formula and separated three tested spice formulae in ratio 1:100 w/w. Three chosen tested formulas;onion, garlic, red chili 1);oregano, marjoram, basil 2) and rosemary, cumin, black pepper 3) were used in the research. The results indicated that formula 3 has higher antioxidant activity (119.00%) than formula 1 and 2 (83.33% and 62.33%, respectively). Meanwhile, the results from sensory evaluation showed that no significant difference appeared from the different spice formulae. Biological experiment was carried out for these formulae and measured the liver reduced glutathione (GSH), superoxide dismutase (SOD), malonaldehyde (MDA), serum liver enzymes aspartate and alanine aminotransferases and alkaline phosphatase (AST, ALT and ALP), serum total protein, albumin and globulin also, renal function (uric acid, urea and creatinine) in rats fed on basal diet including oil carried the commercial formula or instant indomie noodle tested seasoning formulae. The results illustrated that the different instant indomie noodle seasoning formulae gave better results than the commercial formula in liver and renal functions. It could be recommended that consuming the suggested different seasoning formulae instead of the commercial questioned one as sodium glutamate prevent many harmful effects. It should be done occasionally, especially when the need for indomie noodles arises especially for children. This is because it contains the necessary nutrients as antioxidants and acceptable taste for healthy living in moderate proportion.
基金the project of Young Technical Talents of Tianjin Medical University General Hospital(GG-2021-08209060209507).
文摘Traditional Chinese medicine(TCM)has become very popular in the treatment of complex diseases worldwide in recent decades.Despite the promising performance of TCM,how herbs work synergistically in a formula and their therapeutic targets remain ambiguous.This largely limits the correct use and modernization of TCM formulas clinically.The study of disassembled prescriptions is important for investigating the compatibility theory of Chinese medicines.By dissecting the mechanisms of TCM formulae,the compatibility principles of some well-known formulae,such as Realgar-Indigo naturalis,have been elucidated to a certain extent.In this review,several common methods of disassembled prescription studies are summarized,including those of single herb or mineral,sub-prescription,active ingredients or effective parts,large formulae,and systems pharmacology studies,as well as the methods of grouping based on the properties or efficacy of Chinese medicines,in order to provide evidence for formulae study.Moreover,some challenges to be addressed in disassembled prescriptions studies have been identified in this review.
文摘In this article, we study the (2+1)-extension of Burgers equation and the KPequation. At first, based on a known Baecklund transformation and corresponding Lax pair, aninvariance which depends on two arbitrary functions for (2+1)-extension of Burgers equation isworked out. Given a known solution and using the invariance, we can find solutions of the(2+1)-extension of Burgers equation repeatedly. Secondly, we put forward an invariance of Burgersequation which cannot be directly obtained by constraining the invariance of the (2+1)-extension ofBurgers equation. Furthermore, we reveal that the invariance for finding the solutions of Burgersequation can help us find the solutions of KP equation. At last, based on the invariance of Burgersequation, the corresponding recursion formulae for finding solutions of KP equation are digged out.As the application of our theory, some examples have been put forward in this article and somesolutions of the (2+1)-extension of Burgers equation, Burgers equation and KP equation are obtained.
文摘In this paper, with the help of the eigenvalue properties of orthogonal tensors in n-dimensional Euclidean space and the representations of the orthogonal tensors in 2-dimensional space, the canonical representations of orthogonal tensors in n-dimensional Euclidean space are easily gotten. The paper also gives all the constraint relationships among the principal invariants of arbitrarily given orthogonal tensor by use of Cayley-Hamilton theorem; these results make it possible to solve all the eigenvalues of any orthogonal tensor based on a quite reduced equation of m-th order, where m is the integer part ofn \2. Finally, the formulae of the degree of freedom of orthogonal tensors are given.
