The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this wo...The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.展开更多
The recrystallization behavior,grain boundary characteristic distribution,and mechanical properties of pure Cu sheets that were subjected to different cold rolling paths,and then annealed at 400°C for 10,30,60,an...The recrystallization behavior,grain boundary characteristic distribution,and mechanical properties of pure Cu sheets that were subjected to different cold rolling paths,and then annealed at 400°C for 10,30,60,and 420 min,were investigated.Different rolling paths changed the grain boundary orientations of cold-rolled copper,causing recrystallized grains to nucleate and grow in an oriented manner.However,the evolution of the texture indicated that cold-rolled copper with different rolling paths did not show an obvious preferred orientation after annealing.The RD-60 specimen exhibited the smallest grain size(6.6μm).The results indicated that the grain size and low-ΣCSL grain boundaries worked together to provide RD-60 samples with appropriate mechanical properties and high plasticity.The yield strength,ultimate tensile strength,and elongation of RD-60 sample were 81 MPa,230 MPa,and 49%,respectively.These results could provide guidance for tuning the microstructures and properties of pure Cu foils,as well as designing fabrication routes for pure Cu foils through processes such as rolling and drawing.展开更多
Statistical Energy Analysis(SEA) is one of the conventional tools for predicting vehicle high-frequency acoustic responses.This study proposes a new method that can provide customized optimization solutions to meet NV...Statistical Energy Analysis(SEA) is one of the conventional tools for predicting vehicle high-frequency acoustic responses.This study proposes a new method that can provide customized optimization solutions to meet NVH targets based on the specific needs of different project teams during the initial project stages.This approach innovatively integrates dynamic optimization,Radial Basis Function(RBF),and Fuzzy Design Variables Genetic Algorithm(FDVGA) into the optimization process of Statistical Energy Analysis(SEA),and also takes vehicle sheet metal into account in the optimization of sound packages.In the implementation process,a correlation model is established through Python scripts to link material density with acoustic parameters,weight,and cost.By combining Optimus and VaOne software,an optimization design workflow is constructed and the optimization design process is successfully executed.Under various constraints related to acoustic performance,weight and cost,a globally optimal design is achieved.This technology has been effectively applied in the field of Battery Electric Vehicle(BEV).展开更多
Dichloromethane(DCM)dehalogenase stands as a crucial enzyme implicated in the degradation of methylene chloride across diverse environmental and biological contexts.However,the unbinding pathways of ligands from DCM d...Dichloromethane(DCM)dehalogenase stands as a crucial enzyme implicated in the degradation of methylene chloride across diverse environmental and biological contexts.However,the unbinding pathways of ligands from DCM dehalogenase remain unexplored.In order to gain a deeper understanding of the binding sites and dissociation pathways of dichloromethane(DCM)and glutathione(GSH)from the DCM dehalogenase,random accelerated molecular dynamics(RAMD)simulations were performed,in which DCM and GSH were forced to leave the active site.The protein structure was predicted using Alphafold2,and the conformations of GSH and DCM in the binding pocket were predicted by docking.A long equilibrium simulation was conducted to validate the structure of the complex.The results show that GSH is most commonly observed in three main pathways,one of which is more important than the other two.In addition,DCM was observed to escape along a unique pathway.The key residues and protein helices of each pathway were identified.The results can provide a theoretical foundation for the subsequent dissociation mechanism of DCM dehalogenase.展开更多
120 pearl oysters （Pinctada martensii） were randomly sampled from F1 population, and shell length, shell width, shell height, shell weight and total weight of each sample were measured. Correlation and path analysis...120 pearl oysters （Pinctada martensii） were randomly sampled from F1 population, and shell length, shell width, shell height, shell weight and total weight of each sample were measured. Correlation and path analysis were conducted on the basis of measurement data. The results showed that shell length, shell width, shell height, shell weight and total weight were significantly correlated （P 〈 0.05）. Total weight was significantly and positively correlated with shell weight （r = 0.8970）, shell height （r = 0.6974）, shell width （r = 0.6521） and shell length （r = 0.5486）. Shell weight, shell height, shell width and shell length had positive and direct effects on total wet weight, with the values of 0.6356, 0.1872, 0.1814 and 0.0599, respectively. The results indicated that growth traits （shell length, shell width, shell height, shell weight and total wet weigh） of the F1 population could be improved by direct or indirect selection.展开更多
In April of 2006, a base population of the noble scallop Chlamys nobilis was established by collecting parental breeders from the stocks in Wushi, Zhanjiang. In December of 2006, 200 individuals were randomly sampled ...In April of 2006, a base population of the noble scallop Chlamys nobilis was established by collecting parental breeders from the stocks in Wushi, Zhanjiang. In December of 2006, 200 individuals were randomly sampled from the base population and subjected for correlation and path coefficient analysis. It was found that there were statistically significant phenotypic correlations among the traits （P 〈 0.01）. Total weight was significantly and positively correlated with the shell length （r = 0.934 3）, shell height （r = 0.895 9）, shell width （r = 0.899 1 ）, muscle weight （r = 0.882 0） and shell weight （r = 0.937 9）, respectively. Shell length, shell width, muscle weight, shell height and shell weight had positive and direct effects on the total weight, with values of 0.397 1, 0.321 9, 0.172 1, 0.089 6 and 0.066 9, respectively. Shell length, shell width and muscle weight had higher direct effects on the total weight than shell height and shell weight. A combined evaluation of correlation, direct effects and indirect effects showed that direct selection for shell length, shell width, muscle weight, shell height and shell weight would be effective to improving the total weight. It was concluded that these traits could be regarded as the selection criteria in breeding programs of the species.展开更多
In order to establish a comprehensive evaluation system for quality of Chinese cabbage, 28 Chinese cabbage cultivars or inbreeds were selected as ex- perimental materials to identify the raw and cooked taste and deter...In order to establish a comprehensive evaluation system for quality of Chinese cabbage, 28 Chinese cabbage cultivars or inbreeds were selected as ex- perimental materials to identify the raw and cooked taste and determine the nutrient component contents, and the subjective factors （taste） and objective factors （nutrient component contents） influencing the sensory quality of Chinese cabbage were ana- lyzed by multiple regression and path analysis. The results showed that two regres- sion equations were obtained： yr （raw quality）=0.310 3＋0.254 0xl （juiciness）＋0.176 2 x2 （sweetness）＋0.221 6x3 （crispness）＋0.319 9x4 （flavor）; Yc （cooked quality）=0.204 4＋ 0.250 9 xs （residue）＋0.246 9x6 （cooked sweetness）＋0.182 5x7 （softness）＋0.323 lx8 （cooked flavor）. The path analysis results showed that among the sensory indices, the total coefficients of sweetness and juiciness were 0.445 3 and 0.427 6, respec- tively. It indicated they were the main factors affecting the raw quality of Chinese cab- bage, followed by flavor and crispness. Sweetness, with total coefficient of 0.515 2, showed the greatest effect on the cooked quality of Chinese cabbage, followed by residue, cooked flavor and softness. The effects of nutrient component contents on the sensory quality of Chinese cabbage were further analyzed, and the regression equa- tions were obtained： y, =-32.192 0＋0.389 3xw （moisture content）＋1.169 8x~ （soluble sugar content）; Yc = 7.497 1＋0.732 6xs - 5.668 8x, （organic acid content）-2.176 3x~ （crude fiber content）. The standardized regression coefficients of soluble sugar con- tent were all highest with the value of 0.580 7 in the raw quality regression equa- tion and 0.325 0 in the cooked quality one, indicating that among the six nutrient components, the soluble sugar content was the main factor affecting both raw and cooked quality of Chinese cabbage. This study will provide certain basis for quality evaluation, selection and breeding of high-quality Chinese cabbage.展开更多
[Objective] This study was tween yield-related traits and yield of conducted to understand the relationship be- Yunmai 52 which is a high-quality high-yield multi-resistant new wheat variety, and make contribution of ...[Objective] This study was tween yield-related traits and yield of conducted to understand the relationship be- Yunmai 52 which is a high-quality high-yield multi-resistant new wheat variety, and make contribution of yield-related traits to the yield of Yunmai 52 clear. [Method] Wheat variety regional trial data in Yunnan Province in 2005-2007 were subjected to correlation analysis and path analysis in the paper. [Result] Correlationanalysis showed that the yield of Yunmai 52 was in- very significant positive correlation with spikelet number per ear, maximum tiller number and grains per ear （r=0.726^＊＊, 0.717^＊＊ and 0.695^＊＊, respectively）, in signif- icant positive correlation with 1 000-grain weight （r=0.491^＊）, but in significant nega- tive correlation with sterile spikelet number per ear, and in non-significant correlation with basic seedlings, effective ears and percentage of ear bearing tillers. Partial correlation analysis showed that the yield of Yunmai 52 was in very significant posi- tive correlation with spikelet number per ear （r=0.711^＊＊）, significant positive correla- tion with 1 000-grain weight （r=0.641 =）, but in non-significant correlation with other 6 traits. Path analysis showed that spikelet number per ear （P=-0.595）, maximum tiller number （P=0.462） and t 000-grain weight （P=0.263） had more contribution to yield of Yunmai 52. [Conclusion] Therefore, in extension and application of Yunmal 52 that is a high-quality high-yield multi-resistant new wheat variety, supply of fertilizer and water should be increased in tillering stage and jointing stage, to ensure its characteristics of high tilledng ability and large ear, as well as high 1 000-grain weight, and coordinated development of other yield-related traits is beneficial to im- provement of yield of Yunmai 52.展开更多
In this study, the relationship between major meteorological factors and tobacco chemical components in different altitudes of Yongde County, Lincang Region of Yunnan Province was studied using correlation analysis an...In this study, the relationship between major meteorological factors and tobacco chemical components in different altitudes of Yongde County, Lincang Region of Yunnan Province was studied using correlation analysis and path analysis methods.The results showed that there was a difference on meteorological factors in different altitudes, causing different impacts on chemical components of flue-cured tobacco; contents of nicotine and total nitrogen decreased with the rising of altitude, conversely, total sugar and reducing sugar contents increased with the rising trend of altitude, and the differences on the contents of potassium （K） and chlorine（CI）, and the ratio of K to CI in different altitudes were not significant, at the altitude of 1 250-1 450 m, each chemical component indicator was better. The correlation between main meteorological factors and conventional chemical components of tobacco leaves was as follows： contents of reducing sugar and total sugar increased with the increase of rainfall and relative humidity, and decreased with the increase of sunshine duration; nicotine content increased with the increase of accumulated temperature and sunshine duration; total nitrogen （N） content increased with the increase of daily mean temperature and accumulated temperature; sugar-alkali ratio increased with the increase of rainfall. Path analysis showed that the direct effect of sunshine duration on reducing sugar and total sugar of tobacco leaves was faint, but the indirect effect was obvious; meanwhile, the direct and indirect effects of it on nicotine and total N were the greatest.展开更多
文摘The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.
基金financially supported by the National Natural Science Foundation of China(No.52201099)the Scientific Research Starting Foundation of Anhui Polytechnic University,China(No.S022021004)+2 种基金Undergraduate Scientific Research Project of Anhui Polytechnic University,ChinaSchool Level Scientific Research Project of Anhui Polytechnic University,China(No.Xjky2022028)the Open Research Fund of Anhui Key Laboratory of High-Performance Non-ferrous Metal Materials,China(No.YSJS-2023-1)。
文摘The recrystallization behavior,grain boundary characteristic distribution,and mechanical properties of pure Cu sheets that were subjected to different cold rolling paths,and then annealed at 400°C for 10,30,60,and 420 min,were investigated.Different rolling paths changed the grain boundary orientations of cold-rolled copper,causing recrystallized grains to nucleate and grow in an oriented manner.However,the evolution of the texture indicated that cold-rolled copper with different rolling paths did not show an obvious preferred orientation after annealing.The RD-60 specimen exhibited the smallest grain size(6.6μm).The results indicated that the grain size and low-ΣCSL grain boundaries worked together to provide RD-60 samples with appropriate mechanical properties and high plasticity.The yield strength,ultimate tensile strength,and elongation of RD-60 sample were 81 MPa,230 MPa,and 49%,respectively.These results could provide guidance for tuning the microstructures and properties of pure Cu foils,as well as designing fabrication routes for pure Cu foils through processes such as rolling and drawing.
文摘Statistical Energy Analysis(SEA) is one of the conventional tools for predicting vehicle high-frequency acoustic responses.This study proposes a new method that can provide customized optimization solutions to meet NVH targets based on the specific needs of different project teams during the initial project stages.This approach innovatively integrates dynamic optimization,Radial Basis Function(RBF),and Fuzzy Design Variables Genetic Algorithm(FDVGA) into the optimization process of Statistical Energy Analysis(SEA),and also takes vehicle sheet metal into account in the optimization of sound packages.In the implementation process,a correlation model is established through Python scripts to link material density with acoustic parameters,weight,and cost.By combining Optimus and VaOne software,an optimization design workflow is constructed and the optimization design process is successfully executed.Under various constraints related to acoustic performance,weight and cost,a globally optimal design is achieved.This technology has been effectively applied in the field of Battery Electric Vehicle(BEV).
基金National Natural Science Foundation of China(22073030)the Oriental Scholars of Shanghai Universities。
文摘Dichloromethane(DCM)dehalogenase stands as a crucial enzyme implicated in the degradation of methylene chloride across diverse environmental and biological contexts.However,the unbinding pathways of ligands from DCM dehalogenase remain unexplored.In order to gain a deeper understanding of the binding sites and dissociation pathways of dichloromethane(DCM)and glutathione(GSH)from the DCM dehalogenase,random accelerated molecular dynamics(RAMD)simulations were performed,in which DCM and GSH were forced to leave the active site.The protein structure was predicted using Alphafold2,and the conformations of GSH and DCM in the binding pocket were predicted by docking.A long equilibrium simulation was conducted to validate the structure of the complex.The results show that GSH is most commonly observed in three main pathways,one of which is more important than the other two.In addition,DCM was observed to escape along a unique pathway.The key residues and protein helices of each pathway were identified.The results can provide a theoretical foundation for the subsequent dissociation mechanism of DCM dehalogenase.
基金grants of the Guangdong Marine and Fishery Bureau(No.B02068)Guangdong Ocean University(No.E06031).
文摘120 pearl oysters （Pinctada martensii） were randomly sampled from F1 population, and shell length, shell width, shell height, shell weight and total weight of each sample were measured. Correlation and path analysis were conducted on the basis of measurement data. The results showed that shell length, shell width, shell height, shell weight and total weight were significantly correlated （P 〈 0.05）. Total weight was significantly and positively correlated with shell weight （r = 0.8970）, shell height （r = 0.6974）, shell width （r = 0.6521） and shell length （r = 0.5486）. Shell weight, shell height, shell width and shell length had positive and direct effects on total wet weight, with the values of 0.6356, 0.1872, 0.1814 and 0.0599, respectively. The results indicated that growth traits （shell length, shell width, shell height, shell weight and total wet weigh） of the F1 population could be improved by direct or indirect selection.
文摘In April of 2006, a base population of the noble scallop Chlamys nobilis was established by collecting parental breeders from the stocks in Wushi, Zhanjiang. In December of 2006, 200 individuals were randomly sampled from the base population and subjected for correlation and path coefficient analysis. It was found that there were statistically significant phenotypic correlations among the traits （P 〈 0.01）. Total weight was significantly and positively correlated with the shell length （r = 0.934 3）, shell height （r = 0.895 9）, shell width （r = 0.899 1 ）, muscle weight （r = 0.882 0） and shell weight （r = 0.937 9）, respectively. Shell length, shell width, muscle weight, shell height and shell weight had positive and direct effects on the total weight, with values of 0.397 1, 0.321 9, 0.172 1, 0.089 6 and 0.066 9, respectively. Shell length, shell width and muscle weight had higher direct effects on the total weight than shell height and shell weight. A combined evaluation of correlation, direct effects and indirect effects showed that direct selection for shell length, shell width, muscle weight, shell height and shell weight would be effective to improving the total weight. It was concluded that these traits could be regarded as the selection criteria in breeding programs of the species.
基金Supported by Major State Basic Research Development Program of China(973Program)(2012CB113906)National Natural Science Foundation of China(31171970)+1 种基金National Key Technology Research and Development Program of the Ministry of Science and Technology of China(2012BAD02B01)National Staple Vegetable Industry Technology System(CARS-25-A-11)
文摘In order to establish a comprehensive evaluation system for quality of Chinese cabbage, 28 Chinese cabbage cultivars or inbreeds were selected as ex- perimental materials to identify the raw and cooked taste and determine the nutrient component contents, and the subjective factors （taste） and objective factors （nutrient component contents） influencing the sensory quality of Chinese cabbage were ana- lyzed by multiple regression and path analysis. The results showed that two regres- sion equations were obtained： yr （raw quality）=0.310 3＋0.254 0xl （juiciness）＋0.176 2 x2 （sweetness）＋0.221 6x3 （crispness）＋0.319 9x4 （flavor）; Yc （cooked quality）=0.204 4＋ 0.250 9 xs （residue）＋0.246 9x6 （cooked sweetness）＋0.182 5x7 （softness）＋0.323 lx8 （cooked flavor）. The path analysis results showed that among the sensory indices, the total coefficients of sweetness and juiciness were 0.445 3 and 0.427 6, respec- tively. It indicated they were the main factors affecting the raw quality of Chinese cab- bage, followed by flavor and crispness. Sweetness, with total coefficient of 0.515 2, showed the greatest effect on the cooked quality of Chinese cabbage, followed by residue, cooked flavor and softness. The effects of nutrient component contents on the sensory quality of Chinese cabbage were further analyzed, and the regression equa- tions were obtained： y, =-32.192 0＋0.389 3xw （moisture content）＋1.169 8x~ （soluble sugar content）; Yc = 7.497 1＋0.732 6xs - 5.668 8x, （organic acid content）-2.176 3x~ （crude fiber content）. The standardized regression coefficients of soluble sugar con- tent were all highest with the value of 0.580 7 in the raw quality regression equa- tion and 0.325 0 in the cooked quality one, indicating that among the six nutrient components, the soluble sugar content was the main factor affecting both raw and cooked quality of Chinese cabbage. This study will provide certain basis for quality evaluation, selection and breeding of high-quality Chinese cabbage.
基金Supported by National key R&D Projects(2016YFD0101603)National Planning Project Co-supported by Yunnan Province(2014GA016)Science&Technology Specific Project for Benefiting People in China(2014RA056)~~
文摘[Objective] This study was tween yield-related traits and yield of conducted to understand the relationship be- Yunmai 52 which is a high-quality high-yield multi-resistant new wheat variety, and make contribution of yield-related traits to the yield of Yunmai 52 clear. [Method] Wheat variety regional trial data in Yunnan Province in 2005-2007 were subjected to correlation analysis and path analysis in the paper. [Result] Correlationanalysis showed that the yield of Yunmai 52 was in- very significant positive correlation with spikelet number per ear, maximum tiller number and grains per ear （r=0.726^＊＊, 0.717^＊＊ and 0.695^＊＊, respectively）, in signif- icant positive correlation with 1 000-grain weight （r=0.491^＊）, but in significant nega- tive correlation with sterile spikelet number per ear, and in non-significant correlation with basic seedlings, effective ears and percentage of ear bearing tillers. Partial correlation analysis showed that the yield of Yunmai 52 was in very significant posi- tive correlation with spikelet number per ear （r=0.711^＊＊）, significant positive correla- tion with 1 000-grain weight （r=0.641 =）, but in non-significant correlation with other 6 traits. Path analysis showed that spikelet number per ear （P=-0.595）, maximum tiller number （P=0.462） and t 000-grain weight （P=0.263） had more contribution to yield of Yunmai 52. [Conclusion] Therefore, in extension and application of Yunmal 52 that is a high-quality high-yield multi-resistant new wheat variety, supply of fertilizer and water should be increased in tillering stage and jointing stage, to ensure its characteristics of high tilledng ability and large ear, as well as high 1 000-grain weight, and coordinated development of other yield-related traits is beneficial to im- provement of yield of Yunmai 52.
文摘In this study, the relationship between major meteorological factors and tobacco chemical components in different altitudes of Yongde County, Lincang Region of Yunnan Province was studied using correlation analysis and path analysis methods.The results showed that there was a difference on meteorological factors in different altitudes, causing different impacts on chemical components of flue-cured tobacco; contents of nicotine and total nitrogen decreased with the rising of altitude, conversely, total sugar and reducing sugar contents increased with the rising trend of altitude, and the differences on the contents of potassium （K） and chlorine（CI）, and the ratio of K to CI in different altitudes were not significant, at the altitude of 1 250-1 450 m, each chemical component indicator was better. The correlation between main meteorological factors and conventional chemical components of tobacco leaves was as follows： contents of reducing sugar and total sugar increased with the increase of rainfall and relative humidity, and decreased with the increase of sunshine duration; nicotine content increased with the increase of accumulated temperature and sunshine duration; total nitrogen （N） content increased with the increase of daily mean temperature and accumulated temperature; sugar-alkali ratio increased with the increase of rainfall. Path analysis showed that the direct effect of sunshine duration on reducing sugar and total sugar of tobacco leaves was faint, but the indirect effect was obvious; meanwhile, the direct and indirect effects of it on nicotine and total N were the greatest.
