Objective To explore the differential expression and mechanisms of bone formation-related genes in osteoporosis(OP)leveraging bioinformatics and machine learning methodologies;and to predict the active ingredients of ...Objective To explore the differential expression and mechanisms of bone formation-related genes in osteoporosis(OP)leveraging bioinformatics and machine learning methodologies;and to predict the active ingredients of targeted traditional Chinese medicine(TCM)herbs.Methods The Gene Expression Omnibus(GEO)and GeneCards databases were employed to conduct a comprehensive screening of genes and disease-associated loci pertinent to the pathogenesis of OP.The R package was utilized as the analytical tool for the identification of differentially expressed genes.Least absolute shrinkage and selection operator(LASSO)logis-tic regression analysis and support vector machine-recursive feature elimination(SVM-RFE)algorithm were employed in defining the genetic signature specific to OP.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analyses for the selected pivotal genes were conducted.The cell-type identification by estimating rela-tive subsets of RNA transcripts(CIBERSORT)algorithm was leveraged to examine the infiltra-tion patterns of immune cells;with Spearman’s rank correlation analysis utilized to assess the relationship between the expression levels of the genes and the presence of immune cells.Coremine Medical Database was used to screen out potential TCM herbs for the treatment of OP.Comparative Toxicogenomics Database(CTD)was employed for forecasting the TCM ac-tive ingredients targeting the key genes.AutoDock Vina 1.2.2 and GROMACS 2020 softwares were employed to conclude analysis results;facilitating the exploration of binding affinity and conformational dynamics between the TCM active ingredients and their biological targets.Results Ten genes were identified by intersecting the results from the GEO and GeneCards databases.Through the application of LASSO regression and SVM-RFE algorithm;four piv-otal genes were selected:coat protein(CP);kallikrein 3(KLK3);polymeraseγ(POLG);and transient receptor potential vanilloid 4(TRPV4).GO and KEGG pathway enrichment analy-ses revealed that these trait genes were predominantly engaged in the regulation of defense response activation;maintenance of cellular metal ion balance;and the production of chemokine ligand 5.These genes were notably associated with signaling pathways such as ferroptosis;porphyrin metabolism;and base excision repair.Immune infiltration analysis showed that key genes were highly correlated with immune cells.Macrophage M0;M1;M2;and resting dendritic cell were significantly different between groups;and there were signifi-cant differences between different groups(P<0.05).The interaction counts of resveratrol;curcumin;and quercetin with KLK3 were 7;3;and 2;respectively.It shows that the interac-tions of resveratrol;curcumin;and quercetin with KLK3 were substantial.Molecular docking and molecular dynamics simulations further confirmed the robust binding affinity of these bioactive compounds to the target genes.Conclusion Pivotal genes including CP;KLK3;POLG;and TRPV4;exhibited commendable significant prognostic value;and played a crucial role in the diagnostic assessment of OP.Resveratrol;curcumin;and quercetin;natural compounds found in TCM;showed promise in their potential to effectively modulate the bone-forming gene KLK3.This study provides a sci-entific basis for the interpretation of the pathogenesis of OP and the development of clinical drugs.展开更多
The C–H bond activation in alkane dehydrogenation reactions is a key step in determining the reaction rate.To understand the impact of entropy,we performed ab initio static and molecular dynamics free energy simulati...The C–H bond activation in alkane dehydrogenation reactions is a key step in determining the reaction rate.To understand the impact of entropy,we performed ab initio static and molecular dynamics free energy simulations of ethane dehydrogenation over Co@BEA zeolite at different temperatures.AIMD simulations showed that a sharp decrease in free energy barrier as temperature increased.Our analysis of the temperature dependence of activation free energies uncovered an unusual entropic effect accompanying the reaction.The unique spatial structures around the Co active site at different temperatures influenced both the extent of charge transfer in the transition state and the arrangement of 3d orbital energy levels.We provided explanations consistent with the principles of thermodynamics and statistical physics.The insights gained at the atomic level have offered a fresh interpretation of the intricate long-range interplay between local chemical reactions and extensive chemical environments.展开更多
The mechanism of seeded precipitation of sodium aluminate solution was studied by measuring the seeded-precipitation rate and electrical conductivity online, as well as calculating the activity and fraction of ion pai...The mechanism of seeded precipitation of sodium aluminate solution was studied by measuring the seeded-precipitation rate and electrical conductivity online, as well as calculating the activity and fraction of ion pair. The results show that the electrical conductivity of sodium aluminate slurry linearly decreases with increasing aluminum hydroxide addition. Moreover, both the electrical conductivity of slurry and the difference in electrical conductivity between sodium aluminate solution and slurry remarkably decline in the first 60 min before gradually increasing in the preliminary 10 h and finally reaching almost the same level after 10 h. In low Na2 O concentration solution the activities of Na OH and Na Al(OH)4 in seeded precipitation are high, which can enlarge the difference in conductivity between slurry and solution. Additionally, more ion pairs exist in solution in preliminary seeded precipitation, and the adsorption of Na+Al(OH)4- on seed surface is likely to break the equilibrium of ion pair formation and to decrease the difference in conductivity in preliminary seeded precipitation.展开更多
In order to enhance the tribological properties of lubricating oil, suitable surfactants such as Tween-20, Tween-60, Span-20 and Sodium sodecylbenzenesulfonate were selected and lubricating oils containing CeO2 and Ti...In order to enhance the tribological properties of lubricating oil, suitable surfactants such as Tween-20, Tween-60, Span-20 and Sodium sodecylbenzenesulfonate were selected and lubricating oils containing CeO2 and TiO2 nanoparticles were prepared. The morphology and size of CeO2 and TiO2 nanoparticles were examined with a transmission electron microscope (TEM). The tribological properties of the oils were tested using an MRS-1J four-ball tribotester. The research results show that when the proportion by weight of CeO2 nanoparticles to TiO2 nanoparticles is 1:3, and the total weight fraction is 0.6%, the lubricating oil has optimal anti-wear and friction reducing properties. The addition of CeO2 nanoparticles reduces the required amount of TiO2 nanoparticles.展开更多
Tonoplast-enriched vesicles were prepared from suspension-cultured Populus euphratica Oliv. cells by differential centrifugation and discontinuous sucrose density gradient centrifugation. The properties of the proton ...Tonoplast-enriched vesicles were prepared from suspension-cultured Populus euphratica Oliv. cells by differential centrifugation and discontinuous sucrose density gradient centrifugation. The properties of the proton pumping activity of H+-ATPases in tonoplast vesicles were studied by acridine orange fluorescent quenching measured at 22 degreesC. The proton pumping activity of ATPase was ATP-dependent with apparent Michaelis-Menten Constant (K-m) for ATP about 0.65 mmol/L. The optimal pH for H+-ATPases activity was 7.5. The proton pumping activity of H+-ATPase could be initiated by some divalent cations, Mg2+ being highly efficient, much more than Fe2+; and Ca2+, Cu2+ and Zn2+ were inefficient under the experimental condition. The proton translocation could be stimulated by halide anions, with potencies decreasing in the order Cl- > Br- > I- > F-. The proton pumping activity was greatly inhibited by N-ethylmaleimide (NEM), N, N'-dicyclohexylcarbodiimide (DCCD), NO3- and Bafilomycin A(1), but not by orthovanadate and azide. These results demonstrated that the H+-ATPase in the tonoplast of Populus euphratica belonged to vacuolar type ATPase. This work was the first time that tonoplast-enriched vesicles were isolated from Populus euphratica cells.展开更多
The adsorption behaviors of copper ions on chalcopyrite surfaces were investigated based on zeta potential measurements, X-ray photoelectron spectroscopy, copper ion adsorption experiments, first-principles calculatio...The adsorption behaviors of copper ions on chalcopyrite surfaces were investigated based on zeta potential measurements, X-ray photoelectron spectroscopy, copper ion adsorption experiments, first-principles calculations, and Hallimond tube cell flotation experiments. The results show that copper ions activate the chalcopyrite as a result of the interactions between copper ions and sulfur on the chalcopyrite surface. This adsorption increases the flotation rate under certain conditions, and this is beneficial for the flotation of chalcopyrite. The copper ions in the flotation pulp are mainly derived from surface oxidation dissolution and the release of fluid inclusions, and these effects enable chalcopyrite to be activated.展开更多
[Objective]The aim was to study the effects of sunflower artificial aging on seed vigor and physiological characteristics.[Method] The varieties of seed germination capacity,vigor of germination,germination index,vigo...[Objective]The aim was to study the effects of sunflower artificial aging on seed vigor and physiological characteristics.[Method] The varieties of seed germination capacity,vigor of germination,germination index,vigor index,peroxidase(POD) activity,superoxide dismutase(SOD) activity and malondialdehyde(MDA) content for four sunflower germplasms such as'SunM20','Deep Purple Minle','Da San Kui Hua 4'and'Ji Kui 24'were studied under high temperature and high humidity conditions(100% RH,45 ℃) for different days(0 d,2 d,4 d,6 d,8 d,10 d).[Result]The result showed that the germination capacity,vigor of germination,germination index,vigor index,POD activity,SOD activity declined gradually with the increase of seed aging days,whereas MDA content enhanced by degrees;The diggerences of resistance to artifical aging existed among the four accessions,'SunM20'was the most resistant one,and exhibited the strongest seed vigor,highest activities of two protective enzyme(POD,SOD) and lowest content of MDA at the uniform condition,moreover,the seed vigor and protective enzyme activities of'SunM20'changed slowest among the four materials during the aging process.[Conclusion]The distinct reduction of POD,SOD activities maybe the main reasons for the decrease of sunflower seed vigor at the artificial aging,and the gradual accumulation of a few MDA accelerated seeds aging.展开更多
The paper introduces the research progress in an emergency decision support system for marine pollution (EDSS) in China seas and elaborates on the possible role of the Neutron Activation Analysis (NAA) method ther...The paper introduces the research progress in an emergency decision support system for marine pollution (EDSS) in China seas and elaborates on the possible role of the Neutron Activation Analysis (NAA) method therein. To deal with the increasingly grave situation of offshore pollution, the EDSS for China seas has been researching and developing. Based on the prediction and analysis of the ocean three-dimensional current field, this system makes an inference on the possible path of diffusion and influencing area of marine pollutants and possible location of pollution source, and in combination with the environmentally sensitive information related to the technical integration of GIS, it puts forward the decision, making support for minimizing the hazard caused by pollutants. This system has been operationalized and running for many years on the Bohai and Huanghai seas' Marine Pollutants Prediction and Early-Warning, and it has achieved successful experience for many times in the emergencies of China's coastal pollution accidents. At present, the environmental guarantee system directed against heavy metals and radioactive pollutants is in the experimental stage. As the NAA method is especially applicable to the detection of part of heavy metals and radioactive substances, it is of very important practical value for the new system to realize the monitoring, prediction and early-warning of ocean heavy metals and radioactive pollutants.展开更多
Fe3Al alloys with nearly full density were fabricated by plasma activated sintering(PAS) and hot pressing(HP) from mechanical alloyed Fe-28%Al(mole fraction) powders,respectively.It is found that A2-type Fe3Al a...Fe3Al alloys with nearly full density were fabricated by plasma activated sintering(PAS) and hot pressing(HP) from mechanical alloyed Fe-28%Al(mole fraction) powders,respectively.It is found that A2-type Fe3Al alloys were obtained by PAS,and they had a heterogeneous grain size distribution,most areas had a grain size smaller than 500 nm,and other areas had a grain size of about 1 μm.Different to PAS,D03-type Fe3Al alloys with a grain size of of 1-2 μm were obtained by HP.The compression testing results show that yield strength values of Fe3Al alloys fabricated by PAS and HP are almost equal at an elevated temperature,and the compression yield strength was about 100 MPa for all at 800 ℃.The room temperature compression ductility of Fe3Al alloys by PAS was about 20%,which was superior to that of Fe3Al alloys prepared by HP and casting.展开更多
An efficient synthesis of carbon nanofibers by pyrolysis of as-prepared polypyrrole nanowires was reported. Under the subsequent KOH activation, a significant morphology variation was detected and the obtained sample ...An efficient synthesis of carbon nanofibers by pyrolysis of as-prepared polypyrrole nanowires was reported. Under the subsequent KOH activation, a significant morphology variation was detected and the obtained sample took on a ribbon-like structure. The morphology and structure of the carbon nanofibers and carbon nanoribbons were characterized. When the as-prepared one-dimensional carbon nanostructures were used as anode materials in lithium ion batteries, both of them exhibited superior cyclical stability and good rate properties. After 50 cycles, the reversible capacity of carbon nanofibers electrode maintained 530 mA·h/g. Concerning carbon nanoribbons, the reversible capacity is always larger than 850 mA·h/g and the reversible capacity retention after 23 cycles is 86%.展开更多
基金National Natural Science Foundation of China(81960877).
文摘Objective To explore the differential expression and mechanisms of bone formation-related genes in osteoporosis(OP)leveraging bioinformatics and machine learning methodologies;and to predict the active ingredients of targeted traditional Chinese medicine(TCM)herbs.Methods The Gene Expression Omnibus(GEO)and GeneCards databases were employed to conduct a comprehensive screening of genes and disease-associated loci pertinent to the pathogenesis of OP.The R package was utilized as the analytical tool for the identification of differentially expressed genes.Least absolute shrinkage and selection operator(LASSO)logis-tic regression analysis and support vector machine-recursive feature elimination(SVM-RFE)algorithm were employed in defining the genetic signature specific to OP.Gene Ontology(GO)and Kyoto Encyclopedia of Genes and Genomes(KEGG)pathway enrichment analyses for the selected pivotal genes were conducted.The cell-type identification by estimating rela-tive subsets of RNA transcripts(CIBERSORT)algorithm was leveraged to examine the infiltra-tion patterns of immune cells;with Spearman’s rank correlation analysis utilized to assess the relationship between the expression levels of the genes and the presence of immune cells.Coremine Medical Database was used to screen out potential TCM herbs for the treatment of OP.Comparative Toxicogenomics Database(CTD)was employed for forecasting the TCM ac-tive ingredients targeting the key genes.AutoDock Vina 1.2.2 and GROMACS 2020 softwares were employed to conclude analysis results;facilitating the exploration of binding affinity and conformational dynamics between the TCM active ingredients and their biological targets.Results Ten genes were identified by intersecting the results from the GEO and GeneCards databases.Through the application of LASSO regression and SVM-RFE algorithm;four piv-otal genes were selected:coat protein(CP);kallikrein 3(KLK3);polymeraseγ(POLG);and transient receptor potential vanilloid 4(TRPV4).GO and KEGG pathway enrichment analy-ses revealed that these trait genes were predominantly engaged in the regulation of defense response activation;maintenance of cellular metal ion balance;and the production of chemokine ligand 5.These genes were notably associated with signaling pathways such as ferroptosis;porphyrin metabolism;and base excision repair.Immune infiltration analysis showed that key genes were highly correlated with immune cells.Macrophage M0;M1;M2;and resting dendritic cell were significantly different between groups;and there were signifi-cant differences between different groups(P<0.05).The interaction counts of resveratrol;curcumin;and quercetin with KLK3 were 7;3;and 2;respectively.It shows that the interac-tions of resveratrol;curcumin;and quercetin with KLK3 were substantial.Molecular docking and molecular dynamics simulations further confirmed the robust binding affinity of these bioactive compounds to the target genes.Conclusion Pivotal genes including CP;KLK3;POLG;and TRPV4;exhibited commendable significant prognostic value;and played a crucial role in the diagnostic assessment of OP.Resveratrol;curcumin;and quercetin;natural compounds found in TCM;showed promise in their potential to effectively modulate the bone-forming gene KLK3.This study provides a sci-entific basis for the interpretation of the pathogenesis of OP and the development of clinical drugs.
文摘The C–H bond activation in alkane dehydrogenation reactions is a key step in determining the reaction rate.To understand the impact of entropy,we performed ab initio static and molecular dynamics free energy simulations of ethane dehydrogenation over Co@BEA zeolite at different temperatures.AIMD simulations showed that a sharp decrease in free energy barrier as temperature increased.Our analysis of the temperature dependence of activation free energies uncovered an unusual entropic effect accompanying the reaction.The unique spatial structures around the Co active site at different temperatures influenced both the extent of charge transfer in the transition state and the arrangement of 3d orbital energy levels.We provided explanations consistent with the principles of thermodynamics and statistical physics.The insights gained at the atomic level have offered a fresh interpretation of the intricate long-range interplay between local chemical reactions and extensive chemical environments.
基金Project(51274242)supported by the National Natural Science Foundation of China
文摘The mechanism of seeded precipitation of sodium aluminate solution was studied by measuring the seeded-precipitation rate and electrical conductivity online, as well as calculating the activity and fraction of ion pair. The results show that the electrical conductivity of sodium aluminate slurry linearly decreases with increasing aluminum hydroxide addition. Moreover, both the electrical conductivity of slurry and the difference in electrical conductivity between sodium aluminate solution and slurry remarkably decline in the first 60 min before gradually increasing in the preliminary 10 h and finally reaching almost the same level after 10 h. In low Na2 O concentration solution the activities of Na OH and Na Al(OH)4 in seeded precipitation are high, which can enlarge the difference in conductivity between slurry and solution. Additionally, more ion pairs exist in solution in preliminary seeded precipitation, and the adsorption of Na+Al(OH)4- on seed surface is likely to break the equilibrium of ion pair formation and to decrease the difference in conductivity in preliminary seeded precipitation.
基金Supported by the Shanghai Municipal Education Commission(06FZ008)Shanghai Municipal Education Commission Key Disciplines(J50603)
文摘In order to enhance the tribological properties of lubricating oil, suitable surfactants such as Tween-20, Tween-60, Span-20 and Sodium sodecylbenzenesulfonate were selected and lubricating oils containing CeO2 and TiO2 nanoparticles were prepared. The morphology and size of CeO2 and TiO2 nanoparticles were examined with a transmission electron microscope (TEM). The tribological properties of the oils were tested using an MRS-1J four-ball tribotester. The research results show that when the proportion by weight of CeO2 nanoparticles to TiO2 nanoparticles is 1:3, and the total weight fraction is 0.6%, the lubricating oil has optimal anti-wear and friction reducing properties. The addition of CeO2 nanoparticles reduces the required amount of TiO2 nanoparticles.
文摘Tonoplast-enriched vesicles were prepared from suspension-cultured Populus euphratica Oliv. cells by differential centrifugation and discontinuous sucrose density gradient centrifugation. The properties of the proton pumping activity of H+-ATPases in tonoplast vesicles were studied by acridine orange fluorescent quenching measured at 22 degreesC. The proton pumping activity of ATPase was ATP-dependent with apparent Michaelis-Menten Constant (K-m) for ATP about 0.65 mmol/L. The optimal pH for H+-ATPases activity was 7.5. The proton pumping activity of H+-ATPase could be initiated by some divalent cations, Mg2+ being highly efficient, much more than Fe2+; and Ca2+, Cu2+ and Zn2+ were inefficient under the experimental condition. The proton translocation could be stimulated by halide anions, with potencies decreasing in the order Cl- > Br- > I- > F-. The proton pumping activity was greatly inhibited by N-ethylmaleimide (NEM), N, N'-dicyclohexylcarbodiimide (DCCD), NO3- and Bafilomycin A(1), but not by orthovanadate and azide. These results demonstrated that the H+-ATPase in the tonoplast of Populus euphratica belonged to vacuolar type ATPase. This work was the first time that tonoplast-enriched vesicles were isolated from Populus euphratica cells.
基金Projects(51464029,51168020,51404119,)supported by the National Natural Science Foundation of ChinaProject(2014Y084)supported by the Natural Science Foundation of Yunnan Province Education Department,ChinaProjects(41118011,201421066)supported by the Cultivation Program of Kunming University of Science and Technology,China
文摘The adsorption behaviors of copper ions on chalcopyrite surfaces were investigated based on zeta potential measurements, X-ray photoelectron spectroscopy, copper ion adsorption experiments, first-principles calculations, and Hallimond tube cell flotation experiments. The results show that copper ions activate the chalcopyrite as a result of the interactions between copper ions and sulfur on the chalcopyrite surface. This adsorption increases the flotation rate under certain conditions, and this is beneficial for the flotation of chalcopyrite. The copper ions in the flotation pulp are mainly derived from surface oxidation dissolution and the release of fluid inclusions, and these effects enable chalcopyrite to be activated.
文摘[Objective]The aim was to study the effects of sunflower artificial aging on seed vigor and physiological characteristics.[Method] The varieties of seed germination capacity,vigor of germination,germination index,vigor index,peroxidase(POD) activity,superoxide dismutase(SOD) activity and malondialdehyde(MDA) content for four sunflower germplasms such as'SunM20','Deep Purple Minle','Da San Kui Hua 4'and'Ji Kui 24'were studied under high temperature and high humidity conditions(100% RH,45 ℃) for different days(0 d,2 d,4 d,6 d,8 d,10 d).[Result]The result showed that the germination capacity,vigor of germination,germination index,vigor index,POD activity,SOD activity declined gradually with the increase of seed aging days,whereas MDA content enhanced by degrees;The diggerences of resistance to artifical aging existed among the four accessions,'SunM20'was the most resistant one,and exhibited the strongest seed vigor,highest activities of two protective enzyme(POD,SOD) and lowest content of MDA at the uniform condition,moreover,the seed vigor and protective enzyme activities of'SunM20'changed slowest among the four materials during the aging process.[Conclusion]The distinct reduction of POD,SOD activities maybe the main reasons for the decrease of sunflower seed vigor at the artificial aging,and the gradual accumulation of a few MDA accelerated seeds aging.
基金supported by the National Natural Science Foundation of China(41206013,41376014,41430963)the Public Science and Technology Research Funds Projects of Ocean (201205018)+5 种基金Key Marine Science Foundation of the State Oceanic Administration of China for Young Scholar(2013203,2012202,2012223)National Sci-Tech Support Plan(2014BAB12B02)Tianjin Sci-Tech Support Plan(14ZCZDSF00012)POL Visiting Fellowship Program (Song Jun)China Scholarship Council ([2008]3019[2012]3013)
文摘The paper introduces the research progress in an emergency decision support system for marine pollution (EDSS) in China seas and elaborates on the possible role of the Neutron Activation Analysis (NAA) method therein. To deal with the increasingly grave situation of offshore pollution, the EDSS for China seas has been researching and developing. Based on the prediction and analysis of the ocean three-dimensional current field, this system makes an inference on the possible path of diffusion and influencing area of marine pollutants and possible location of pollution source, and in combination with the environmentally sensitive information related to the technical integration of GIS, it puts forward the decision, making support for minimizing the hazard caused by pollutants. This system has been operationalized and running for many years on the Bohai and Huanghai seas' Marine Pollutants Prediction and Early-Warning, and it has achieved successful experience for many times in the emergencies of China's coastal pollution accidents. At present, the environmental guarantee system directed against heavy metals and radioactive pollutants is in the experimental stage. As the NAA method is especially applicable to the detection of part of heavy metals and radioactive substances, it is of very important practical value for the new system to realize the monitoring, prediction and early-warning of ocean heavy metals and radioactive pollutants.
基金Project (50871084) supported by the National Natural Science Foundation of ChinaProject (2009AA032601) supported by the National High Technology Research and Development Program of China
文摘Fe3Al alloys with nearly full density were fabricated by plasma activated sintering(PAS) and hot pressing(HP) from mechanical alloyed Fe-28%Al(mole fraction) powders,respectively.It is found that A2-type Fe3Al alloys were obtained by PAS,and they had a heterogeneous grain size distribution,most areas had a grain size smaller than 500 nm,and other areas had a grain size of about 1 μm.Different to PAS,D03-type Fe3Al alloys with a grain size of of 1-2 μm were obtained by HP.The compression testing results show that yield strength values of Fe3Al alloys fabricated by PAS and HP are almost equal at an elevated temperature,and the compression yield strength was about 100 MPa for all at 800 ℃.The room temperature compression ductility of Fe3Al alloys by PAS was about 20%,which was superior to that of Fe3Al alloys prepared by HP and casting.
基金Projects (51204209,51274240) supported by the National Natural Science Foundation of China
文摘An efficient synthesis of carbon nanofibers by pyrolysis of as-prepared polypyrrole nanowires was reported. Under the subsequent KOH activation, a significant morphology variation was detected and the obtained sample took on a ribbon-like structure. The morphology and structure of the carbon nanofibers and carbon nanoribbons were characterized. When the as-prepared one-dimensional carbon nanostructures were used as anode materials in lithium ion batteries, both of them exhibited superior cyclical stability and good rate properties. After 50 cycles, the reversible capacity of carbon nanofibers electrode maintained 530 mA·h/g. Concerning carbon nanoribbons, the reversible capacity is always larger than 850 mA·h/g and the reversible capacity retention after 23 cycles is 86%.