In searching for effective anticonvulsant agents,fourteen 6-aryl-4.5-di- hydro-3(2H)pyridazinones.fifteen 6-aryl-3(2H)pyridazinones,and seventeen 3-GABA derivatives of 6-aryIpyridazines have been synthesized,and evalu...In searching for effective anticonvulsant agents,fourteen 6-aryl-4.5-di- hydro-3(2H)pyridazinones.fifteen 6-aryl-3(2H)pyridazinones,and seventeen 3-GABA derivatives of 6-aryIpyridazines have been synthesized,and evaluated in mice for the ability to antagonize maximal electroshock seizure(MES).The ED_(50) values showed that 6-(2′,4′- dichlorophenyt)-3(2H)pyridazinone was the most potent anticonvulsant among these corn- pounds(ED_(50)=10.15 mg/kg).The structure-activity relationships of the aryl pyridazinones were studied.The result showed that:(1)the higher the value of the hydrophobic parameter л of the substituent on the phenyl ring.the more potent the anticonvulsant activity of the corn- pound.and(2)only the compounds with an electron withdrawing substituent on the phenyl ring exhibited appreciable anticonvulsant activity.展开更多
Cutting tests were done using a test bed designed to measure pick cutting forces when cutting coal and rock.The test equipment has a drum with two starting helical vanes.Cutting forces on a pick were measured as a fun...Cutting tests were done using a test bed designed to measure pick cutting forces when cutting coal and rock.The test equipment has a drum with two starting helical vanes.Cutting forces on a pick were measured as a function of coal compressive strength,pick carbide tip diameter and the cutting depth per drum revolution.The results show that the cutting force is linearly related to the compressive strength.The relationship between the cutting force and both the carbide tip diameter and the cutting depth are exponential.Fluctuation in the cutting force does not increase with coal compressive strength but it has a linear relationship to tip diameter.A plot of cutting force fluctuations versus the cutting depth follows a sigmoidal curve.Based on the analysis of these test results a theoretical basis is supplied for design and effective use of shearer drums.展开更多
A quantitative structure–activity relationship(QSAR) was performed to analyze antimalarial activities against the D10 strains of Plasmodium falciparum of triazole-linked chalcone and dienone hybrid derivatives using ...A quantitative structure–activity relationship(QSAR) was performed to analyze antimalarial activities against the D10 strains of Plasmodium falciparum of triazole-linked chalcone and dienone hybrid derivatives using partial least squares regression coupled with stepwise forward–backward variable selection method. QSAR analyses were performed on the available IC50 D10 strains of Plasmodium falciparum data based on theoretical molecular descriptors. The QSAR model developed gave good predictive correlation coefficient(r2) of 0.8994, significant cross validated correlation coefficient(q2) of 0.7689, r2 for external test set)(2predr of 0.8256, coefficient of correlation of predicted data set)(2sepred,r of 0.3276. The model shows that antimalarial activity is greatly affected by donor and electron-withdrawing substituents. The study implicates that chalcone and dienone rings should have strong donor and electron-withdrawing substituents as they increase the activity of chalcone. Results show that the predictive ability of the model is satisfactory, and it can be used for designing similar group of antimalarial compounds. The findings derived from this analysis along with other molecular modeling studies will be helpful in designing of the new potent antimalarial activity of clinical utility.展开更多
The quantitative structure-activity relationship(QSAR) of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives was studied.Three different alignment methods were used to get the models of the comparative molecular field...The quantitative structure-activity relationship(QSAR) of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives was studied.Three different alignment methods were used to get the models of the comparative molecular field analysis(CoMFA),the comparative molecular similarity indices analysis(CoMSIA),and the hologram quantitative structure?activity relationship(HQSAR).The statistical results from the established models show believable predictivity based on the cross-validated value(q2>0.5) and the non-validated value(r2>0.9),The analysis on contour maps of CoMFA and CoMSIA models suggests that hydrophobic and hydrogen-bond acceptor fields are important factors that affect the AT1 antagonistic activity of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives besides the steric and electrostatic fields,The structural modification information from different atom contributions in the HQSAR model is in agreement with that in the 3D-QSAR models.展开更多
Genetic relationship of 12 ramie varieties with different drought resistance was analysed by using RAPD.Twenty-five 10-mer random primers were used to amplify the total DMA of these varieties.The results showed that t...Genetic relationship of 12 ramie varieties with different drought resistance was analysed by using RAPD.Twenty-five 10-mer random primers were used to amplify the total DMA of these varieties.The results showed that the amplified products of 12 ramie varieties could be obtained with 12 primers.The length of amplified products was 0.6-5.15 kb.Ninety bands were identified in total,of which 11 bands were common in all 12 varieties and 79 bands were polymorphic.The polymorphic bands were 87.78% of the total amplified bands.According to the result of cluster analysis,12 ramie varieties could be divided into two classes and three groups.It was found that high drought resistant varieties were clustered into different groups or subgroups in the same class,which shows near relationship among them.展开更多
When every parameter is properly scaled down in accordance with some similarity coefficients, it is possible to study the physical-mechanical properties of rock mass with a scale model. To identify the key mechanisms ...When every parameter is properly scaled down in accordance with some similarity coefficients, it is possible to study the physical-mechanical properties of rock mass with a scale model. To identify the key mechanisms of soft rock in deep buried tunnels, the proper sand, binder and ratio were selected. During the process, the model manufacture technology was introduced and typical tests were done and the results were presented. The physical and meehanieal properties effects caused by each composition were discussed. It is shown that the physical and mechanical properties of chosen ratio material such as uniaxial compressive strength tests, elasticity modulus, tensile strength, internal frictional angle, and Poisson's ratio meet with similarity relationship well. The physical and mechanical properties of deep soft rock are simulated successfully.展开更多
In the present study, we designed and synthesized a series of 1-substituted-β-carboline derivatives through modification of position-l, 2 and 9 of β-carboline nucleus in order to discover novel leading compounds wit...In the present study, we designed and synthesized a series of 1-substituted-β-carboline derivatives through modification of position-l, 2 and 9 of β-carboline nucleus in order to discover novel leading compounds with better antitumor activities and less toxicity. Their structures were confirmed by 1H NMR, 13C NMR, MS, IR and elemental analyses. All the target compounds were tested for cytotoxic activity against six cancer cell lines, including Bel-7402, HepG2, A549, A375, 786-0 and HT-29 by methyl thiazolyl tetrazolium (MTT) method. Studies of structure-activity relationships indicated that the effects of substituents in position- 1 on cytotoxic activities were in an order as follows: 2-thienyl 〉2-chlorophenyl 〉4-chlorophenyl 〉benzyl group.展开更多
The present study was designed to establish a suitable assay to explore CCR2 b receptor antagonists from the natural products of Artemisia rupetris and Leontopodium leontopodioides. An aequorin assay was developed as ...The present study was designed to establish a suitable assay to explore CCR2 b receptor antagonists from the natural products of Artemisia rupetris and Leontopodium leontopodioides. An aequorin assay was developed as a cell-based assay suitable for 384-well microplate and used for screening CCR2 b receptor antagonists from natural products. Through establishing suitable conditions, the assay was shown to be suitable for screening of CCR2 b receptor antagonists. Seven compounds were identified in preliminary screening. Five of them showed evident dose-response relationship in secondary screening. The structure–activity relationship study suggested that 7-position hydroxyl group of flavonoids was necessary, a polar group should be introduced on the 3-position, and the substituents on 2-position benzene ring of flavonoids have little influence on the potentency of the inhibition activity on CCR2 b receptor. The ortho-position dihydroxyl structure in quinic acid compounds may be important. In conclusion, Compounds HR-1, 5, 7, and AR-20, 35 showed activity as antagonist of CCR2 b receptor, which shed lights on the development of novel drugs as CCR2 b receptor antagonists for preventing inflammation related diseases.展开更多
文摘In searching for effective anticonvulsant agents,fourteen 6-aryl-4.5-di- hydro-3(2H)pyridazinones.fifteen 6-aryl-3(2H)pyridazinones,and seventeen 3-GABA derivatives of 6-aryIpyridazines have been synthesized,and evaluated in mice for the ability to antagonize maximal electroshock seizure(MES).The ED_(50) values showed that 6-(2′,4′- dichlorophenyt)-3(2H)pyridazinone was the most potent anticonvulsant among these corn- pounds(ED_(50)=10.15 mg/kg).The structure-activity relationships of the aryl pyridazinones were studied.The result showed that:(1)the higher the value of the hydrophobic parameter л of the substituent on the phenyl ring.the more potent the anticonvulsant activity of the corn- pound.and(2)only the compounds with an electron withdrawing substituent on the phenyl ring exhibited appreciable anticonvulsant activity.
基金Projects 2008AA062202 supported by the Hi-tech Research and Development Program of ChinaCX08B_041Z by the Innovation Foundation of Jiangsu Graduate Students
文摘Cutting tests were done using a test bed designed to measure pick cutting forces when cutting coal and rock.The test equipment has a drum with two starting helical vanes.Cutting forces on a pick were measured as a function of coal compressive strength,pick carbide tip diameter and the cutting depth per drum revolution.The results show that the cutting force is linearly related to the compressive strength.The relationship between the cutting force and both the carbide tip diameter and the cutting depth are exponential.Fluctuation in the cutting force does not increase with coal compressive strength but it has a linear relationship to tip diameter.A plot of cutting force fluctuations versus the cutting depth follows a sigmoidal curve.Based on the analysis of these test results a theoretical basis is supplied for design and effective use of shearer drums.
文摘A quantitative structure–activity relationship(QSAR) was performed to analyze antimalarial activities against the D10 strains of Plasmodium falciparum of triazole-linked chalcone and dienone hybrid derivatives using partial least squares regression coupled with stepwise forward–backward variable selection method. QSAR analyses were performed on the available IC50 D10 strains of Plasmodium falciparum data based on theoretical molecular descriptors. The QSAR model developed gave good predictive correlation coefficient(r2) of 0.8994, significant cross validated correlation coefficient(q2) of 0.7689, r2 for external test set)(2predr of 0.8256, coefficient of correlation of predicted data set)(2sepred,r of 0.3276. The model shows that antimalarial activity is greatly affected by donor and electron-withdrawing substituents. The study implicates that chalcone and dienone rings should have strong donor and electron-withdrawing substituents as they increase the activity of chalcone. Results show that the predictive ability of the model is satisfactory, and it can be used for designing similar group of antimalarial compounds. The findings derived from this analysis along with other molecular modeling studies will be helpful in designing of the new potent antimalarial activity of clinical utility.
基金Project(20876180) supported by the National Natural Science Foundation of China
文摘The quantitative structure-activity relationship(QSAR) of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives was studied.Three different alignment methods were used to get the models of the comparative molecular field analysis(CoMFA),the comparative molecular similarity indices analysis(CoMSIA),and the hologram quantitative structure?activity relationship(HQSAR).The statistical results from the established models show believable predictivity based on the cross-validated value(q2>0.5) and the non-validated value(r2>0.9),The analysis on contour maps of CoMFA and CoMSIA models suggests that hydrophobic and hydrogen-bond acceptor fields are important factors that affect the AT1 antagonistic activity of 2-alkyl-4-(biphenylylmethoxy) pyridine derivatives besides the steric and electrostatic fields,The structural modification information from different atom contributions in the HQSAR model is in agreement with that in the 3D-QSAR models.
文摘Genetic relationship of 12 ramie varieties with different drought resistance was analysed by using RAPD.Twenty-five 10-mer random primers were used to amplify the total DMA of these varieties.The results showed that the amplified products of 12 ramie varieties could be obtained with 12 primers.The length of amplified products was 0.6-5.15 kb.Ninety bands were identified in total,of which 11 bands were common in all 12 varieties and 79 bands were polymorphic.The polymorphic bands were 87.78% of the total amplified bands.According to the result of cluster analysis,12 ramie varieties could be divided into two classes and three groups.It was found that high drought resistant varieties were clustered into different groups or subgroups in the same class,which shows near relationship among them.
基金Supported by the New Century Excellent Talent Foundation from MOE of China(NCET-09-0844) the National Natural Science Foundation of China (50804060, 50921063)
文摘When every parameter is properly scaled down in accordance with some similarity coefficients, it is possible to study the physical-mechanical properties of rock mass with a scale model. To identify the key mechanisms of soft rock in deep buried tunnels, the proper sand, binder and ratio were selected. During the process, the model manufacture technology was introduced and typical tests were done and the results were presented. The physical and meehanieal properties effects caused by each composition were discussed. It is shown that the physical and mechanical properties of chosen ratio material such as uniaxial compressive strength tests, elasticity modulus, tensile strength, internal frictional angle, and Poisson's ratio meet with similarity relationship well. The physical and mechanical properties of deep soft rock are simulated successfully.
基金National Science and Technology Major Projec of the Ministry of Science and Technology of China(Grant No2011ZX09401-007)National Key Technology Research and Development Program of the Ministry of Science and Technology of China(Grant No.2012BAI30B00)
文摘In the present study, we designed and synthesized a series of 1-substituted-β-carboline derivatives through modification of position-l, 2 and 9 of β-carboline nucleus in order to discover novel leading compounds with better antitumor activities and less toxicity. Their structures were confirmed by 1H NMR, 13C NMR, MS, IR and elemental analyses. All the target compounds were tested for cytotoxic activity against six cancer cell lines, including Bel-7402, HepG2, A549, A375, 786-0 and HT-29 by methyl thiazolyl tetrazolium (MTT) method. Studies of structure-activity relationships indicated that the effects of substituents in position- 1 on cytotoxic activities were in an order as follows: 2-thienyl 〉2-chlorophenyl 〉4-chlorophenyl 〉benzyl group.
基金supported by the Major Scientific and Technological Special Project for Significant New Drugs Creation(No.2012ZX09504001-001)National Natural Science Foundation of China(No.81102876+2 种基金81430082)the Fundamental Research Funds for the Central Universities(No.2015ZD005)333 high level project of Jiangsu Province(NO.BRA2014245)
文摘The present study was designed to establish a suitable assay to explore CCR2 b receptor antagonists from the natural products of Artemisia rupetris and Leontopodium leontopodioides. An aequorin assay was developed as a cell-based assay suitable for 384-well microplate and used for screening CCR2 b receptor antagonists from natural products. Through establishing suitable conditions, the assay was shown to be suitable for screening of CCR2 b receptor antagonists. Seven compounds were identified in preliminary screening. Five of them showed evident dose-response relationship in secondary screening. The structure–activity relationship study suggested that 7-position hydroxyl group of flavonoids was necessary, a polar group should be introduced on the 3-position, and the substituents on 2-position benzene ring of flavonoids have little influence on the potentency of the inhibition activity on CCR2 b receptor. The ortho-position dihydroxyl structure in quinic acid compounds may be important. In conclusion, Compounds HR-1, 5, 7, and AR-20, 35 showed activity as antagonist of CCR2 b receptor, which shed lights on the development of novel drugs as CCR2 b receptor antagonists for preventing inflammation related diseases.