4.The molecular mechanism between baicalin metal complexes and bovin serum album.
Ming GUO ; Xian TAN ; Ying WANG ; Xiao-yan GAO ; Zhou-ling WU ; Li-jun ZHANG
Acta Pharmaceutica Sinica 2015;50(5):613-620
In this paper, the new carbon nanotube modified glassy carbon electrode (F-CNTs/GCE) was prepared to establish a new method for studying the molecular interaction mechanism between baicalin metal complexes (BMC) and bovine serum album (BSA), and the principle of this method was discussed deeply. Under the physiological condition, the thermodynamics and kinetics properties of interaction between BMC and BSA were studied by cyclic voltammetry (CV) to inference their molecular effective mechanism. The results show that the presence of F-CNTs can accelerate the electron transfer, and better response signal was showed in the BMC/BMC-BSA system. The detection of interaction of BMC-BSA used new method show that BMC-BSA generates stable thermodynamically non-covalent compounds, and the obtained average binding sites of BMC-BSA were 1.7; the number of electron transfer in BMC/BMC-BSA reaction process was 2, and non electroactive supramolecular compounds of BMC-BSA were generated by this interacting reaction. The relevant research work provides a new way to study the molecular mechanism for the interaction of drugs with protein, and with a certain reference value for discussion on the non covalent interactions.
Animals
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Cattle
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Coordination Complexes
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chemistry
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Electrodes
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Flavonoids
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chemistry
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Kinetics
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Nanotubes, Carbon
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Serum Albumin, Bovine
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chemistry
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Thermodynamics
5.Variation of polysaccharides and alcohol-soluble extracts content of Dendrobium officinale.
Qiao-xian YU ; Ying-ying GUO ; Jin-ping SI ; Ling-shang WU ; Lin-hua WANG
China Journal of Chinese Materia Medica 2014;39(24):4769-4772
To reveal the variation of polysaccharides and alcohol-soluble extract contents of Dendrobium officinale, the polysaccharides and alcohol-soluble extracts contents of three D. officinale strains were determined by phenol-sulfuric acid method and hot-dip method, respectively. The results showed that the contents of polysaccharides and alcohol-soluble extracts and their total content were significantly different among D. officinale samples collected in different periods, and the variations were closely related to the phenology of D. officinale. Additionally, the quality variation of polysaccharides was closely related to the flowering of D. officinale, while the alcohol-soluble extracts was closely associated to the formation and germination of buds. According to the dynamic variation of these two compounds, it is more reasonable to harvest D. officinale at biennials pre-bloom than at specific harvesting month considering polysaccharides content. It is better to harvest before the germination of buds considering alcohol-soluble extracts. While with regards to both polysaccharides and alcohol-soluble extract, it is better to harvest this plant at the period from the sprouting to pre-bloom next year.
Dendrobium
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chemistry
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Plant Extracts
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isolation & purification
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Polysaccharides
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isolation & purification
6.Analysis on medication rule in prescriptions for hemoptysis of Menghe physician Ma Peizhi based on knowledge-discovery in database.
Jia-Rui WU ; Wei-Xian GUO ; Xiu-Qin HUANG ; Bing ZHANG ; Xiao-Meng ZHANG
China Journal of Chinese Materia Medica 2014;39(4):627-630
The clinical prescriptions of hemoptysis that built by Menghe physician Ma Peizhi were collected, and were analyzed by the method of unsupervised data mining, such as association rules and clustering algorithm. From the prescriptions, we got the frequency of drugs, the association rules among drugs, 10 core drug combinations and 5 new prescriptions. Accordingly, after the analysis, Menghe physician Ma Peizhi had rich experience in the treatment of hemoptysis. His therapy for hemoptysis was clearing heat and moistening lung, dispel heat from blood to stop bleeding, and enriching yin and blood. And we can also make a conclusion that the TCM inheritance support system is of great practical value for minning the old doctors' clinical experiences.
Data Mining
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Databases, Factual
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Drug Prescriptions
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standards
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Drugs, Chinese Herbal
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chemistry
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therapeutic use
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Hemoptysis
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drug therapy
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Humans
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Practice Patterns, Physicians'
7.Analysis on principle of treatment of cough of yan zhenghua based on apriori and clustering algorithm.
Jia-Rui WU ; Wei-Xian GUO ; Xiao-Meng ZHANG ; Bing YANG ; Bing ZHANG
China Journal of Chinese Materia Medica 2014;39(4):623-626
Based on the data mining methods of association rules and clustering algorithm, the 188 prescriptions for cough that built by Yan Zhenghua were collected and analyzed to get the frequency of drug usage and the relationship between drugs. From which we could conclude the experiences of Yan Zhenghua for the treatment of cough. The results of the analysis were that 20 core combinations were dig out, such as Bambusae Caulis in Taenias-Almond-Sactmarsh Aster. And there were 10 new prescriptions were found out, such as Sactmarsh Aster-Scutellariae Radix-Album Viscum-Bambusae Caulis in Taenian-Eriobotryae Folium. The results of the analysis were proved that Yan Zhenghua was good at curing cough by using the traditional Chinese medicine that can dispel wind and heat from the body, and remove heat from the lung to relieve cough.
Algorithms
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Cough
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drug therapy
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Data Mining
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Drug Prescriptions
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Drug Therapy, Combination
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Drugs, Chinese Herbal
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therapeutic use
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Humans
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Practice Patterns, Physicians'
8.Analysis on medication rules of state medical master Yan Zhenghua from prescriptions with citri reticulatae pericarpium based on data mining.
Jia-Rui WU ; Wei-Xian GUO ; Bing ZHANG ; Xiao-Meng ZHANG ; Bing YANG ; Xiao-Guang SHENG
China Journal of Chinese Materia Medica 2014;39(4):618-622
The prescriptions containing pericarpium citri reticulatae that built by Professor. Yan were collected to build a database based on traditional Chinese medicine (TCM) inheritance assist system. After analyzed by data mining, such as apriori algorithm, the frequency of single medicine, the frequency of drug combination, the association rules between drugs and core drug combinations can be get from the database. Through the analysis of 1 027 prescriptions with pericarpium citri reticulatae, these prescriptions were commonly used to treat stomach aches, cough and other syndromes. The most frequency drug combinations were "Citri Reticulatae Pericarpium-Poria", "Paeoniae Radix Rubra-Citri Reticulatae Pericarpium" and so on. The drug association rules that the confidence was 1 were "Glycyrrhizae Radix ex Rhizoma --> Citri Reticulatae Pericarpium", "Paeoniae Alba Radix-Cyperi Rhizoma --> Citri Reticulatae Pericarpium", "Poria --> Citri Reticulatae Pericarpium", and so on. The drugs in the prescriptions containing pericarpium citri reticulatae that built by Professor Yan mostly had the effects of regulating the flow of Qi and invigorate blood circulation, which reflected the clearly thought when making prescriptions.
Citrus
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chemistry
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Data Mining
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Drug Interactions
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Drug Prescriptions
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Drug Therapy, Combination
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Drugs, Chinese Herbal
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pharmacology
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Humans
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Practice Patterns, Physicians'
9.Comment on applications of data mining used in studies of heritage of experiences of national medical masters.
Jia-Rui WU ; Shi-Huan TANG ; Wei-Xian GUO ; Xiao-Meng ZHANG ; Bing ZHANG
China Journal of Chinese Materia Medica 2014;39(4):614-617
Data mining, as known as knowledge discovery in databases, is a non-trivial process of revealing the implied, previously unknown and potentially useful information from the massive data. In recently years, the applications of data mining in the field of pharmaceutical research of traditional Chinese medicine have widespread. Especially in the field of the heritage of experiences of na-tional medical masters, data mining plays an important role. In this study, we would expound of the use of methods of data mining in the heritage of experiences of national medical masters, and analyze their advantages and disadvantages, such as association rules, Bayesian networks, neural networks, and decision trees.
Data Mining
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Databases, Pharmaceutical
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Medicine, Chinese Traditional
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Neural Networks (Computer)
10.Enamel dose calculation by electron paramagnetic resonance spectral simulation technique
Guofu DONG ; Jianbo CONG ; Linchao GUO ; Jing NING ; Hong XIAN ; Changzhen WANG ; Ke WU
Chinese Journal of Radiological Medicine and Protection 2011;31(6):709-712
Objective To optimize the enamel electron paramagnetic resonance (EPR) spectral processing by using the EPR spectral simulation method to improve the accuracy of enamel EPR dosimetry and reduce artificial error.Methods The multi-component superimposed EPR powder spectral simulation software was developed to simulate EPR spectrum models of the background signal(BS) and the radiation- induced signal (RS) of irradiated enamel respectively.RS was extracted from the multi-component superimposed spectrum of irradiated enamel and its amplitude was calculated.The dose-response curve was then established for calculating the doses of a group of enamel samples.The result of estimated dose was compared with that calculated by traditional method.Results BS was simulated as a powder spectrum of gaussian line shape with the following spectrum parameters:g =2.00 35 and Hpp =0.65 - 1.1 mT,RS signal was also simulated as a powder spectrum but with axi-symmetric spectrum characteristics.The spectrum parameters of RS were:g(1) =2.0018,g (11) =1.996 5,Hpp =0.335 - 0.4 mT.The amplitude of RS had a linear response to radiation dose with the regression equation as y =240.74x + 76 724 ( R2 =0.9947 ).The expectation of relative error of dose estimation was 0.13.Conclusions EPR simulation method has improved somehow the accuracy and reliability of enamel EPR dose estimation.