Aptamers are a type of single-chain oligonucleotide that can combine with a specific target.Due to their simple preparation,easy modification,stable structure and reusability,aptamers have been widely applied as bioch...Aptamers are a type of single-chain oligonucleotide that can combine with a specific target.Due to their simple preparation,easy modification,stable structure and reusability,aptamers have been widely applied as biochemical sensors for medicine,food safety and environmental monitoring.However,there is little research on aptamer-target binding mechanisms,which limits their application and development.Computational simulation has gained much attention for revealing aptamer-target binding mechanisms at the atomic level.This work summarizes the main simulation methods used in the mechanistic analysis of aptamer-target complexes,the characteristics of binding between aptamers and different targets(metal ions,small organic molecules,biomacromolecules,cells,bacteria and viruses),the types of aptamer-target interactions and the factors influencing their strength.It provides a reference for further use of simulations in understanding aptamer-target binding mechanisms.展开更多
A numerical code called RFPA-Dynamics was used to study the rockburst mechanism under dynamic load based on coupled static-dynamic analysis.The results show that dynamic disturbance has a very distinct triggering effe...A numerical code called RFPA-Dynamics was used to study the rockburst mechanism under dynamic load based on coupled static-dynamic analysis.The results show that dynamic disturbance has a very distinct triggering effect on rockburst.Under the dynamic load,rockburst is motivated by tensile stress formed by the overlapping of dynamic waves in the form of instantaneous open and cutting through of cracks in weak planes and pre-damaged areas.Meanwhile,the orientation of joint sets has an obvious leading effect on rockburst locations.Finally,a higher initial static stress state before dynamic loading can cause more pre-damaged area,thus leading to a larger rockburst scope.展开更多
The virtual community has become a new life style as for human,but the public's acceptance is relatively low at present.So the research about the mechanism of the influence on the cohesiveness and the collective e...The virtual community has become a new life style as for human,but the public's acceptance is relatively low at present.So the research about the mechanism of the influence on the cohesiveness and the collective efficiency in virtual community has an important theoretical value and practical value.In the paper,the key variables that affect virtual community cohesiveness are extracted from two aspects—self-perception of community members and community environment,and the influence mechanism model of virtual community cohesiveness and community collective efficiency is established based on Triadic Reciprocal Determinism.By means of the questionnaire on the community members and the empirical analysis,the key factors influencing cohesiveness of virtual community are brought up,as well as the mechanism that the four dimensions of cohesiveness work,on collective efficiency.According to the results,it is practically meaningful that the problems and insufficiency in the operation of existing virtual community are discovered,which guides the operating managers of the virtual community to formulate operation policy of the virtual community for operating managers to develop strategies.展开更多
Anti-complement activity guided fractionation led to the isolation of 24 compounds from Commelina communis.Bioassay showed that six compounds inhibited the classical pathway and alternative pathway with CH 50 values o...Anti-complement activity guided fractionation led to the isolation of 24 compounds from Commelina communis.Bioassay showed that six compounds inhibited the classical pathway and alternative pathway with CH 50 values of 0.12-1.44 mM and AP 50 values of 0.28-7.05 mM,respectively.Preliminary mechanism studies demonstrated that quinovic acid acted on C1q,C2,C3,C4,C5 and C9 components of the complement system,β-sitosterol interacted with C3 and C4,(+)-catechin-3-O-β-Dgluco(2-cinnamoyl)-pyranoside,p-cresol and 6-methoxy-3-methylbenzene-1,2,4-triol blocked C1q,C2,C3,C5 and C9.展开更多
On the basis of data from the 2008 Chinese General Social Survey, this paper analyzes the changing organizational job mobility patterns of members of society in a segmented labor market. The structure of labor market ...On the basis of data from the 2008 Chinese General Social Survey, this paper analyzes the changing organizational job mobility patterns of members of society in a segmented labor market. The structure of labor market segmentation is based on differences in the power of different labor sectors to distribute social resources, leading to further differences in their power of "attraction" or "repulsion" that influence people's organizational mobility. These forces are strongest in the primary labor market, lessening the possibility that workers will leave their jobs and raising the possibility of cross-sector mobility. In the course of China's market transition, changes in the power to allocate social resources have entailed changes in the structure of labor market segmentation, changes that have been reflected in organizational mobility. Our examination of changing modes of organizational mobility reveals that the structure of urban labor market segmentation has changed from being mainly systemic at the outset of reform and opening up to the current coexistence of systemic segmentation and market segmentation.展开更多
As a traditional Chinese herbal medicine, Pulsatilla Chinensis(P. Chinensis) is widely used in the clinical practice of traditional Chinese medicine(TCM). Recently, medical research has found that the natural product ...As a traditional Chinese herbal medicine, Pulsatilla Chinensis(P. Chinensis) is widely used in the clinical practice of traditional Chinese medicine(TCM). Recently, medical research has found that the natural product P. Chinensis saponins and their monomeric compounds extracted from P. Chinensis have a variety of biological activities, especially the triterpenoid saponins, which have significant and broad-spectrum anti-tumor effects. Moreover, its anti-tumor molecular mechanisms include inhibition of the growth and proliferation of tumor cells, repression of the migration, invasion, and metastasis, prevention of tumor cell cycle, regulation of cancer cell energy metabolism, anti-tumor angiogenesis, induction of cancer cell differentiation, apoptosis and autophagy, reversing cancer cell resistance, regulation a variety of related signaling pathways, and improvement of the inflammatory microenvironment of tumor cells. In the present work, we reviewed the related anticancer mechanisms of P. Chinensis saponins and their monomers in different tumors, aiming to provide a theoretical basis for the development and clinical application of new anti-tumor drugs of P. Chinensis saponins and their monomeric compounds.展开更多
The rational construction of active targeting liposomes will provide an important structural support for its effective brain targeting.However,there is no clear understanding of the structure-activity relationship of ...The rational construction of active targeting liposomes will provide an important structural support for its effective brain targeting.However,there is no clear understanding of the structure-activity relationship of active targeting liposomes.Combining multiscale computational simulation and experimental verification,we established a computational model of RVGP modified PEGylated liposomes(RVGP-PEG-L)and investigated the role of PEG and molecular interaction mechanism of carrier-ligand-receptor.The result indicated that the complex network conformation formed by PEG with 42 monomers(42 PEG)above the density of 8%was the molecular basis for PEG-L to achieve long-circulation function.The lowest monomer number of PEG linker to ensure the targeting ability of RVGP was 42.However,the pose of RVGP binding to nAChR changed after it was linked with PEG-L due to the restraint of PEG chain,leading to a decrease of binding free energy.Increasing the monomer number of PEG linker or improving the non-polarity of polymers was a potential strategy to enhance the combination of RVGP-PEG-L with nAChR on the targeting cell.展开更多
文摘Aptamers are a type of single-chain oligonucleotide that can combine with a specific target.Due to their simple preparation,easy modification,stable structure and reusability,aptamers have been widely applied as biochemical sensors for medicine,food safety and environmental monitoring.However,there is little research on aptamer-target binding mechanisms,which limits their application and development.Computational simulation has gained much attention for revealing aptamer-target binding mechanisms at the atomic level.This work summarizes the main simulation methods used in the mechanistic analysis of aptamer-target complexes,the characteristics of binding between aptamers and different targets(metal ions,small organic molecules,biomacromolecules,cells,bacteria and viruses),the types of aptamer-target interactions and the factors influencing their strength.It provides a reference for further use of simulations in understanding aptamer-target binding mechanisms.
基金Project(90401004)supported by the Fundamental Research Funds for the Central Universities of ChinaProjects(20100471465,201104572)supported by China Postdoctoral Science Foundation+1 种基金Project(20091029)supported by Postdoctoral Science Foundation of Liaoning Province,ChinaProjects(50934006,51111130206)supported by the National Natural Science Foundation of China
文摘A numerical code called RFPA-Dynamics was used to study the rockburst mechanism under dynamic load based on coupled static-dynamic analysis.The results show that dynamic disturbance has a very distinct triggering effect on rockburst.Under the dynamic load,rockburst is motivated by tensile stress formed by the overlapping of dynamic waves in the form of instantaneous open and cutting through of cracks in weak planes and pre-damaged areas.Meanwhile,the orientation of joint sets has an obvious leading effect on rockburst locations.Finally,a higher initial static stress state before dynamic loading can cause more pre-damaged area,thus leading to a larger rockburst scope.
基金This work has been supported by National Natural Science Foundation of China (No. 71271032).
文摘The virtual community has become a new life style as for human,but the public's acceptance is relatively low at present.So the research about the mechanism of the influence on the cohesiveness and the collective efficiency in virtual community has an important theoretical value and practical value.In the paper,the key variables that affect virtual community cohesiveness are extracted from two aspects—self-perception of community members and community environment,and the influence mechanism model of virtual community cohesiveness and community collective efficiency is established based on Triadic Reciprocal Determinism.By means of the questionnaire on the community members and the empirical analysis,the key factors influencing cohesiveness of virtual community are brought up,as well as the mechanism that the four dimensions of cohesiveness work,on collective efficiency.According to the results,it is practically meaningful that the problems and insufficiency in the operation of existing virtual community are discovered,which guides the operating managers of the virtual community to formulate operation policy of the virtual community for operating managers to develop strategies.
基金National Natural Science Foundation for ExcellentYouth (Grant No.30925042)State Key Program for the InnovativeDrugs from the Ministry of Science and Technology (Grant No.2009ZX09502-013 and 2009ZX09301-011)
文摘Anti-complement activity guided fractionation led to the isolation of 24 compounds from Commelina communis.Bioassay showed that six compounds inhibited the classical pathway and alternative pathway with CH 50 values of 0.12-1.44 mM and AP 50 values of 0.28-7.05 mM,respectively.Preliminary mechanism studies demonstrated that quinovic acid acted on C1q,C2,C3,C4,C5 and C9 components of the complement system,β-sitosterol interacted with C3 and C4,(+)-catechin-3-O-β-Dgluco(2-cinnamoyl)-pyranoside,p-cresol and 6-methoxy-3-methylbenzene-1,2,4-triol blocked C1q,C2,C3,C5 and C9.
文摘On the basis of data from the 2008 Chinese General Social Survey, this paper analyzes the changing organizational job mobility patterns of members of society in a segmented labor market. The structure of labor market segmentation is based on differences in the power of different labor sectors to distribute social resources, leading to further differences in their power of "attraction" or "repulsion" that influence people's organizational mobility. These forces are strongest in the primary labor market, lessening the possibility that workers will leave their jobs and raising the possibility of cross-sector mobility. In the course of China's market transition, changes in the power to allocate social resources have entailed changes in the structure of labor market segmentation, changes that have been reflected in organizational mobility. Our examination of changing modes of organizational mobility reveals that the structure of urban labor market segmentation has changed from being mainly systemic at the outset of reform and opening up to the current coexistence of systemic segmentation and market segmentation.
基金The National Natural Science Foundation of China (Grant No. 81703768 and 81803400)the Natural Science Foundation of Shandong Province (Grant No. ZR2017MH118 and ZR2018BH045)。
文摘As a traditional Chinese herbal medicine, Pulsatilla Chinensis(P. Chinensis) is widely used in the clinical practice of traditional Chinese medicine(TCM). Recently, medical research has found that the natural product P. Chinensis saponins and their monomeric compounds extracted from P. Chinensis have a variety of biological activities, especially the triterpenoid saponins, which have significant and broad-spectrum anti-tumor effects. Moreover, its anti-tumor molecular mechanisms include inhibition of the growth and proliferation of tumor cells, repression of the migration, invasion, and metastasis, prevention of tumor cell cycle, regulation of cancer cell energy metabolism, anti-tumor angiogenesis, induction of cancer cell differentiation, apoptosis and autophagy, reversing cancer cell resistance, regulation a variety of related signaling pathways, and improvement of the inflammatory microenvironment of tumor cells. In the present work, we reviewed the related anticancer mechanisms of P. Chinensis saponins and their monomers in different tumors, aiming to provide a theoretical basis for the development and clinical application of new anti-tumor drugs of P. Chinensis saponins and their monomeric compounds.
基金National Natural Science Foundation of China(Grant No.81202469)
文摘The rational construction of active targeting liposomes will provide an important structural support for its effective brain targeting.However,there is no clear understanding of the structure-activity relationship of active targeting liposomes.Combining multiscale computational simulation and experimental verification,we established a computational model of RVGP modified PEGylated liposomes(RVGP-PEG-L)and investigated the role of PEG and molecular interaction mechanism of carrier-ligand-receptor.The result indicated that the complex network conformation formed by PEG with 42 monomers(42 PEG)above the density of 8%was the molecular basis for PEG-L to achieve long-circulation function.The lowest monomer number of PEG linker to ensure the targeting ability of RVGP was 42.However,the pose of RVGP binding to nAChR changed after it was linked with PEG-L due to the restraint of PEG chain,leading to a decrease of binding free energy.Increasing the monomer number of PEG linker or improving the non-polarity of polymers was a potential strategy to enhance the combination of RVGP-PEG-L with nAChR on the targeting cell.