Pharmacophore is a commonly used method for molecular simulation, including ligand-based pharmacophore (LBP) and structure-based pharmacophore (SBP). LBP can be utilized to identify active compounds usual with low...Pharmacophore is a commonly used method for molecular simulation, including ligand-based pharmacophore (LBP) and structure-based pharmacophore (SBP). LBP can be utilized to identify active compounds usual with lower accuracy, and SBP is able to use for distin- guishing active compounds from inactive compounds with frequently higher missing rates. Merged pharmacophore (MP) is presented to integrate advantages and avoid shortcomings of LBP and SBP. In this work, LBP and SBP models were constructed for the study of per- oxisome proliferator receptor-alpha (PPARα) agonists. According to the comparison of the two types of pharmacophore models, mainly and secondarily pharmacological features were identified. The weight and tolerance values of these pharmacological features were adjusted to construct MP models by single-factor explorations and orthogonal experimental design based on SBP model. Then, the reliability and screening efficiency of the best MP model were validated by three databases. The best MP model was utilized to compute PPARα activity of compounds from traditional Chinese medicine. The screening efficiency of MP model outperformed individual LBP or SBP model for PPARα agonists, and was similar to combinatorial screening of LBP and SBP. However, MP model might have an advantage over the combination of LBP and SBP in evaluating the activity of compounds and avoiding the inconsistent prediction of LBP and SBP, which would be beneficial to guide drug design and optimization.展开更多
The non-linear effects of different initial melt temperatures on the microstructure evolution during the solidification process of liquid Mg7Zn3 alloys were investigated by molecular dynamics simulation, The microstru...The non-linear effects of different initial melt temperatures on the microstructure evolution during the solidification process of liquid Mg7Zn3 alloys were investigated by molecular dynamics simulation, The microstructure transformation mechanisms were analyzed by several methods. The system was found to be solidified into amorphous structures from different initial melt temperatures at the same cooling rate of 1×10^12 K/s, and the 1551 bond-type and the icosahedron basic cluster (12 0 12 0 ) played a key role in the microstructure transition. Different initial melt temperatures had significant effects on the final microstructures. These effects only can be clearly observed below the glass transition temperature Tg; and these effects are non-linearly related to the initial melt temperatures, and fluctuated in a certain range. However, the changes of the average atomic energy of the systems are still linearly related with the initial melt temperatures, namely, the higher the initial melt temperature is, the more stable the amorphous structure is and the stronger the glass forming ability will be.展开更多
To discover new lead compounds for M1 agonists. Ten typical M1 agonists were superimposed to build a M1 agonists 3D-pharmacophore model using distance-comparisons (DISCO) method without the previous knowledge of the...To discover new lead compounds for M1 agonists. Ten typical M1 agonists were superimposed to build a M1 agonists 3D-pharmacophore model using distance-comparisons (DISCO) method without the previous knowledge of the three-dimensional structure of M1 receptor. Virtual screening strategy was used to analyze the Available Chemicals Directory-Screening Compounds (ACD-SC) to identify possible new hits. Twenty-two compounds which fit the pharmacophore model well and are not similar with known M1 agonists were purchased in order to evaluate their M1 receptor agonist activity. One of them shows M1 receptor agonist activity with EC50 of 4.90 μmol/L and maximum response. Multiple of 10.0 which shows it worthy of further study as a new lead compound for M1 agonists.展开更多
The responses of soil nematode communities to grassland degradation were studied under undegraded grassland (UG), degraded grassland (DG),and improved grassland (IG),in Horqin Sandy Land,Inner Mongolia,Northeast China...The responses of soil nematode communities to grassland degradation were studied under undegraded grassland (UG), degraded grassland (DG),and improved grassland (IG),in Horqin Sandy Land,Inner Mongolia,Northeast China.Soil samples were collected at depths of 0-10,10-20,and 20-30 cm.Total organic carbon (TOC) and total nitrogen (TN) exhibited positive effects on the total number of nematodes and trophic groups.Significant treatment effects were found in the total number of nematodes,plant parasites,and omnivores-predators.Measures taken in the improved grassland could improve the number of omnivore-predators,especially in the deeper soil layers.Nematode richness was lower in the DG treatment than in the IG and UG treatments.The food web structure index (SI) was significantly higher in the UG and IG treatments than in the DG treatment.A higher SI suggested a food web with more trophic linkages and relatively healthy ecosystems.展开更多
Alastraet: The gas-based direct reduction of iron ore pellets was carried out by simulating the typical gas composition in coal gasification process, Midrex and HyMII processes. The influences of gas composition and ...Alastraet: The gas-based direct reduction of iron ore pellets was carried out by simulating the typical gas composition in coal gasification process, Midrex and HyMII processes. The influences of gas composition and temperature on reduction were studied. Results show that the increasing of HE proportion is helpful to improve the reduction rate. However, when ~o(H2):~o(CO)〉1.6:1, changes of HE content have little influence on it. Appropriate reduction temperature is about 950 ℃, and higher temperature (1 000 ℃) may unfavorably slow the reduction rate. From the kinetics analysis at 950 ℃, the most part of reduction course is likely controlled by interfacial chemical reaction mechanism and in the final stage controlled by a combined effect of gaseous diffusion and interfacial chemical reaction mechanisms. From the utilizations study of different reducing gases at 950 ℃, the key step in reduction course is the 3rd stage (FeO→Fe), and the utilization of reducing gas increases with the rise of HE proportion.展开更多
The electronic structure for C 60 was semi empirically investigated by using MD (molecular dynamics) and MNDO (modified neglect of diatomic overlap) approach of quantum chemistry.Especially,taking both σ and ...The electronic structure for C 60 was semi empirically investigated by using MD (molecular dynamics) and MNDO (modified neglect of diatomic overlap) approach of quantum chemistry.Especially,taking both σ and π orbitals into account,one electron energy levels,those symmetries and π orbital occupancies as well as electron excitation energies for different select rules,cohesive energy,ionization energies and electronic affinity forces were calculated.The obtained molecular orbital ratio shows a wide separation of σ and π types,and near HOMO and LUMO levels there are π orbitals mainly.The calculated semi empirical calculation results are in good agreement with experimental and ab initio calculation data.展开更多
Adsorption process is acknowledged as an effective option for phenolic wastewater treatment. In this work, the activated carbon (AC) samples after thermal modification were prepared by using muffle furnace. The phen...Adsorption process is acknowledged as an effective option for phenolic wastewater treatment. In this work, the activated carbon (AC) samples after thermal modification were prepared by using muffle furnace. The phenol ad- sorption kinetics and equilibrium measurements were carried out under static conditions at temperature ranging from 25 to 55 ~C. The test results show that the thermal modification can enhance phenol adsorption on AC samples. The porous structure and surface chemistry analyses indicate that the decay in pore morphology and decrease of total oxygen-containing functional groups are found for the thermal modified AC samples. Thus, it can be further inferred that the decrease of total oxygen-containing functional groups on the modified AC sam- ples is the main reason for the enhanced phenol adsorption capacity. For both the raw sample and the optimum modified AC sample at 900 ~C, the pseudo-second order kinetics and Langmuir models are found to fit the exper- imental data very well. The maximum phenol adsorption capacity of the optimum modified AC sample can reach 144,93 mg.g ~ which is higher than that of the raw sample, i.e. 119.53 mg.g 1. Adsorption thermodynamics analysis confirms that the phenol adsorption on the optimum modified AC sample is an exothermic process and mainly via physical adsorption.展开更多
In this paper, an idealized perturbation following the "surge-flow conceptual model" for typical Meiyu frontal structure is designed to explain the β meso-scale structure ofrainbands in the Meiyu front using a non-...In this paper, an idealized perturbation following the "surge-flow conceptual model" for typical Meiyu frontal structure is designed to explain the β meso-scale structure ofrainbands in the Meiyu front using a non-hydrostatic, full-compressible storm-scale model including multi-phase microphysical parameterization. In addition, sensitivity numerical experiment on the vertical distribution of the ambient meridional wind is conducted to investigate the generation mechanism of D meso-scale double rainbands. The results of numerical experiments show that the cool and dry downdraft invading strengthened by the environmental aloft northerly wind plays a very important role to the generation and maintenance of the β meso-scale double rainbands. Moreover, the intensity and scale of the dry and cool downdraft invading are related to the intensity of the second circumfluence induced by mass adjustment when the acceleration of the westerly jet aloft occurs.展开更多
Antifreeze glycoproteins(AFGPs)facilitate the survival of various organisms in the polar region by preventing internal ice accumulation via an adsorption-inhibition mechanism.Inhibition of AFGP antifreeze activity by ...Antifreeze glycoproteins(AFGPs)facilitate the survival of various organisms in the polar region by preventing internal ice accumulation via an adsorption-inhibition mechanism.Inhibition of AFGP antifreeze activity by the borate buffers has been widely acknowledged as the direct experimental evidence supporting the hydroxyl,rather than methyl,binding mechanism.On the other hand,perturbation of borate binding on the AFGP configuration,which might have considerable influence on the binding efficiency of not only the hydroxyl but also the methyl groups,has rarely been quantitatively examined.Herein we studied,using molecular dynamics simulations,the perturbation on the configuration of a solvated AFGP8 protein induced by the binding of one single borate anion.Near the freezing point,this binding not only makes the disaccharide groups adjacent to the borate-binding disaccharide close to each other but also affects the entire AFGP8 conformation.The structural changes induced by the binding of borate on different disaccharide sidechains exhibit clear site-specificities and the effect of borate binding on the structural changes is significantly reduced at higher temperatures.Our study is valuable for further understanding the relationship between the structure and antifreeze activity of these antifreeze glycoproteins.展开更多
With the rapid development and furthering of higher education, most Chinese colleges have carried out large-scale enrollment program, which is a necessary improvement toward higher education reform. Meanwhile, the inc...With the rapid development and furthering of higher education, most Chinese colleges have carried out large-scale enrollment program, which is a necessary improvement toward higher education reform. Meanwhile, the increasing number of students has posed new problems and requirements for the old teaching method: the English teachers are facing more students and larger classes. In Zhejiang University, City College (ZUCC) the credit system and course selection has challenged the English teachers on a higher level. Every English teacher is facing classes of more than 40 students from various departments with sharp contrast among individual students in their English proficiency level and local background. How can every student actively participate in teaching activity so as to achieve better performance in English class? Many teachers, therefore, have adopted team activity and cooperative teaching method to stimulate student participation in class. Inspired by the management theory to optimize student groups into independent teams, the concept of team construction and team management has been introduced into College English Teaching in ZUCC, which has given new meaning to team activity--it will become an interdisciplinary teaching method with its own feature.展开更多
The diffusion dynamics of small two-dimensional atomic clusters Cux (1≤x≤8) on Cu(lll) surface were studied using the molecular dynamics simulations and a modified analytic embedded-atom method in the temperatur...The diffusion dynamics of small two-dimensional atomic clusters Cux (1≤x≤8) on Cu(lll) surface were studied using the molecular dynamics simulations and a modified analytic embedded-atom method in the temperature range from 200 K to 800 K. The cluster size and temperature dependence of the diffusion coefficients and migration energies are presented. Our simulations show that the diffusion migration energy of the CuT cluster is the highest and the prefactor for the CuT cluster is almost three orders of magnitude larger than that for single atom diffusion. This conclusion is consistent with the experimental results for similar metals. In addition, the dependence of cluster diffusion on film growth is also discussed.展开更多
In this study,the effects of drying temperature,hot airflow speed and diameter of green pellet on drying rate of artificial magnetite pellet were deeply investigated to clarify the drying characteristics of artificial...In this study,the effects of drying temperature,hot airflow speed and diameter of green pellet on drying rate of artificial magnetite pellet were deeply investigated to clarify the drying characteristics of artificial magnetite green pellet.The results show that the drying process of artificial magnetite green pellet has three stages,accelerated drying stage,constant drying stage and decelerated drying stage.And drying temperature and hot airflow speed both have significant reciprocal effects on moisture ratio and drying rate of green pellet during the drying process.However,the diameter of green pellet has little effect on drying process of green pellet.Then the drying fitting models of Correction Henderson and Pabis,Lewis,Correction Page(III),Wang and Singh are used to describe the drying kinetics of artificial magnetite green pellet.The fitting results indicate that the drying process of artificial magnetite pellet can be described by Correction Page(III)model accurately.Finally,the contrast experiments demonstrate that the fitting model can well describe the actual drying process.展开更多
The aim of this study is to observe the prospect of kingship in Nepal. It presents an analysis of the people's perspective on dismissed monarchy and challenges faced by Nepal. There was little voice on Nepali monarch...The aim of this study is to observe the prospect of kingship in Nepal. It presents an analysis of the people's perspective on dismissed monarchy and challenges faced by Nepal. There was little voice on Nepali monarchy system, yet many individuals and researcher expressed the need for monarchy to build nation and keep its culture, tradition, and nation unity. To promote the democratic system, political parties should practice democratic norms and respect rules of law in real life rather than just in talk. For the express of people voice and envision prosperous Nepal, this paper attempts to contribute to the need of monarchy back in Nepal far its savereignty and unity. The paper gives a historical overview of kingship in Nepal and discusses incompetent political parties and the importance of monarchy in Nepal. It identifies that to unite the Nepal and Nepali and give the nation social cultural identity, and it needs any form of monarchy in Nepal. The past and present, despite of political systems, social movement, and practice seen from the political parties were failed several times to fulfill people's mandate, such as holding election, writing constitution. The fields discussed in the paper include apathetic attitude of the political parties toward establishing peace and stability in Nepal.展开更多
Ninety-eight clay mineral samples from the YSDP102 core were analyzed by x-ray diffractometer to study the four clay minerals: illite, chlorite, kaolinite and smectite. Twenty-eight samples had been analyzed on the la...Ninety-eight clay mineral samples from the YSDP102 core were analyzed by x-ray diffractometer to study the four clay minerals: illite, chlorite, kaolinite and smectite. Twenty-eight samples had been analyzed on the laser particle-size analyzer to reveal the particle features of the sediments. Distribution of the clay minerals and the particle characteristics in the YSDP102 core show that the core experienced three different depositional periods and formed three different sedimentary intervals due to different sediment sources and different depositional environments. Features of the clay minerals and the heavy minerals in the YSDP102 core indicate that coarse-grained sediments and fine-grained sediments result from different sources. The Yellow Sea Warm Current has greatly influenced the sedimentary framework of this region since the current’s formation.展开更多
China Launched its first satellite for mobile communications on a LM-3B launch vehicle from the Xichang Satellite Launch Center at 0:22 on August 6,2016.The Tiantong 1 satellite was developed by the China Academy of ...China Launched its first satellite for mobile communications on a LM-3B launch vehicle from the Xichang Satellite Launch Center at 0:22 on August 6,2016.The Tiantong 1 satellite was developed by the China Academy of Space Technology under CASC to provide all-weather,all-time stable and reliable mobile communications services to China and surrounding regions as well as to the Middle East,Africa,展开更多
The tafoni that develop in sandstone cliffs have attracted the interest of both scientists and the general public. A necklace-like tafone system, referred to here as beaded tafoni, has developed in the prominent cliff...The tafoni that develop in sandstone cliffs have attracted the interest of both scientists and the general public. A necklace-like tafone system, referred to here as beaded tafoni, has developed in the prominent cliffs of the Danxia landscapes within the Longhushan Global Geopark in the subtropical zone of South China. This paper presents a new model of the formation of this system of extraordinary beaded tafoni. The cliffs of the Danxia landscapes of the study area are composed of an alluvial conglomerate(i.e.,red beds). These Danxia landscapes have subrounded summits that are covered by vegetation and experience a nearly vertical water flow induced by gravity. Erosion and collapse of the outsized gravels and concentrated pebbles in the red beds give rise to the initial development of the beaded tafoni. The tafoni then become rounded and beaded as a result of reworking and decay by fluvial outwash. During storms, intense water flows run vertically down the cliffs and generate a whirling motion in the tafoni.Consequently, the inside walls of the tafoni gradually become wider and smoother. During the late development stage, the beaded tafoni tend to become indistinct or disappear because of the interconnection of the tafoni and subsequent merging with the bedding-controlled cavities.展开更多
As the times of knowledge-based economy comes, if the enterprise wants to gain dominant position in the international arena, it must pay attention to the human resources strategy. Firstly, this paper defines the basic...As the times of knowledge-based economy comes, if the enterprise wants to gain dominant position in the international arena, it must pay attention to the human resources strategy. Firstly, this paper defines the basic theory of human resource management, and then in Lenovo case, this paper focused on analyzing Lenovo's acquisition of IBM's PC business, analyzed the condition of Lenovo PC business and mobile Intemet business by using traditional Boston matrix, and concluded that effect of Lenovo acquisition is not significant, then put forward some improving measures.展开更多
文摘Pharmacophore is a commonly used method for molecular simulation, including ligand-based pharmacophore (LBP) and structure-based pharmacophore (SBP). LBP can be utilized to identify active compounds usual with lower accuracy, and SBP is able to use for distin- guishing active compounds from inactive compounds with frequently higher missing rates. Merged pharmacophore (MP) is presented to integrate advantages and avoid shortcomings of LBP and SBP. In this work, LBP and SBP models were constructed for the study of per- oxisome proliferator receptor-alpha (PPARα) agonists. According to the comparison of the two types of pharmacophore models, mainly and secondarily pharmacological features were identified. The weight and tolerance values of these pharmacological features were adjusted to construct MP models by single-factor explorations and orthogonal experimental design based on SBP model. Then, the reliability and screening efficiency of the best MP model were validated by three databases. The best MP model was utilized to compute PPARα activity of compounds from traditional Chinese medicine. The screening efficiency of MP model outperformed individual LBP or SBP model for PPARα agonists, and was similar to combinatorial screening of LBP and SBP. However, MP model might have an advantage over the combination of LBP and SBP in evaluating the activity of compounds and avoiding the inconsistent prediction of LBP and SBP, which would be beneficial to guide drug design and optimization.
基金Projects(50831003,51071065,51101022,51102090) supported by the National Natural Science Foundation of China
文摘The non-linear effects of different initial melt temperatures on the microstructure evolution during the solidification process of liquid Mg7Zn3 alloys were investigated by molecular dynamics simulation, The microstructure transformation mechanisms were analyzed by several methods. The system was found to be solidified into amorphous structures from different initial melt temperatures at the same cooling rate of 1×10^12 K/s, and the 1551 bond-type and the icosahedron basic cluster (12 0 12 0 ) played a key role in the microstructure transition. Different initial melt temperatures had significant effects on the final microstructures. These effects only can be clearly observed below the glass transition temperature Tg; and these effects are non-linearly related to the initial melt temperatures, and fluctuated in a certain range. However, the changes of the average atomic energy of the systems are still linearly related with the initial melt temperatures, namely, the higher the initial melt temperature is, the more stable the amorphous structure is and the stronger the glass forming ability will be.
基金National Natural Science Foundation of China (Grant No. 30271538)985 program,Ministry of Education of China
文摘To discover new lead compounds for M1 agonists. Ten typical M1 agonists were superimposed to build a M1 agonists 3D-pharmacophore model using distance-comparisons (DISCO) method without the previous knowledge of the three-dimensional structure of M1 receptor. Virtual screening strategy was used to analyze the Available Chemicals Directory-Screening Compounds (ACD-SC) to identify possible new hits. Twenty-two compounds which fit the pharmacophore model well and are not similar with known M1 agonists were purchased in order to evaluate their M1 receptor agonist activity. One of them shows M1 receptor agonist activity with EC50 of 4.90 μmol/L and maximum response. Multiple of 10.0 which shows it worthy of further study as a new lead compound for M1 agonists.
基金Project supported by the National Key Technologies R & D Program of China (No.2005BA517A-8).
文摘The responses of soil nematode communities to grassland degradation were studied under undegraded grassland (UG), degraded grassland (DG),and improved grassland (IG),in Horqin Sandy Land,Inner Mongolia,Northeast China.Soil samples were collected at depths of 0-10,10-20,and 20-30 cm.Total organic carbon (TOC) and total nitrogen (TN) exhibited positive effects on the total number of nematodes and trophic groups.Significant treatment effects were found in the total number of nematodes,plant parasites,and omnivores-predators.Measures taken in the improved grassland could improve the number of omnivore-predators,especially in the deeper soil layers.Nematode richness was lower in the DG treatment than in the IG and UG treatments.The food web structure index (SI) was significantly higher in the UG and IG treatments than in the DG treatment.A higher SI suggested a food web with more trophic linkages and relatively healthy ecosystems.
基金Project(50725416) supported by National Natural Science Funds for Distinguished Young Scholars of China
文摘Alastraet: The gas-based direct reduction of iron ore pellets was carried out by simulating the typical gas composition in coal gasification process, Midrex and HyMII processes. The influences of gas composition and temperature on reduction were studied. Results show that the increasing of HE proportion is helpful to improve the reduction rate. However, when ~o(H2):~o(CO)〉1.6:1, changes of HE content have little influence on it. Appropriate reduction temperature is about 950 ℃, and higher temperature (1 000 ℃) may unfavorably slow the reduction rate. From the kinetics analysis at 950 ℃, the most part of reduction course is likely controlled by interfacial chemical reaction mechanism and in the final stage controlled by a combined effect of gaseous diffusion and interfacial chemical reaction mechanisms. From the utilizations study of different reducing gases at 950 ℃, the key step in reduction course is the 3rd stage (FeO→Fe), and the utilization of reducing gas increases with the rise of HE proportion.
文摘The electronic structure for C 60 was semi empirically investigated by using MD (molecular dynamics) and MNDO (modified neglect of diatomic overlap) approach of quantum chemistry.Especially,taking both σ and π orbitals into account,one electron energy levels,those symmetries and π orbital occupancies as well as electron excitation energies for different select rules,cohesive energy,ionization energies and electronic affinity forces were calculated.The obtained molecular orbital ratio shows a wide separation of σ and π types,and near HOMO and LUMO levels there are π orbitals mainly.The calculated semi empirical calculation results are in good agreement with experimental and ab initio calculation data.
基金Supported by the National Natural Science Foundation of China(41302132)Training Programmes of Innovation and Entrepreneurship for Undergraduates of Yunnan Province(Grant No.201510674042)the Introduced Talents Foundation of Kunming University of Science and Technology(KKSY201205160)
文摘Adsorption process is acknowledged as an effective option for phenolic wastewater treatment. In this work, the activated carbon (AC) samples after thermal modification were prepared by using muffle furnace. The phenol ad- sorption kinetics and equilibrium measurements were carried out under static conditions at temperature ranging from 25 to 55 ~C. The test results show that the thermal modification can enhance phenol adsorption on AC samples. The porous structure and surface chemistry analyses indicate that the decay in pore morphology and decrease of total oxygen-containing functional groups are found for the thermal modified AC samples. Thus, it can be further inferred that the decrease of total oxygen-containing functional groups on the modified AC sam- ples is the main reason for the enhanced phenol adsorption capacity. For both the raw sample and the optimum modified AC sample at 900 ~C, the pseudo-second order kinetics and Langmuir models are found to fit the exper- imental data very well. The maximum phenol adsorption capacity of the optimum modified AC sample can reach 144,93 mg.g ~ which is higher than that of the raw sample, i.e. 119.53 mg.g 1. Adsorption thermodynamics analysis confirms that the phenol adsorption on the optimum modified AC sample is an exothermic process and mainly via physical adsorption.
基金State Key Basic Program (Project 973, 2004CB18301)Doctorate-Supervisor Foundation,MOE under Grant (20050284035)Project of Natural Science Foundation of Jiangsu Province (BK99020,BK2005081)
文摘In this paper, an idealized perturbation following the "surge-flow conceptual model" for typical Meiyu frontal structure is designed to explain the β meso-scale structure ofrainbands in the Meiyu front using a non-hydrostatic, full-compressible storm-scale model including multi-phase microphysical parameterization. In addition, sensitivity numerical experiment on the vertical distribution of the ambient meridional wind is conducted to investigate the generation mechanism of D meso-scale double rainbands. The results of numerical experiments show that the cool and dry downdraft invading strengthened by the environmental aloft northerly wind plays a very important role to the generation and maintenance of the β meso-scale double rainbands. Moreover, the intensity and scale of the dry and cool downdraft invading are related to the intensity of the second circumfluence induced by mass adjustment when the acceleration of the westerly jet aloft occurs.
基金support from the National Natural Science Foundation of China(No.21873101)is acknowledged。
文摘Antifreeze glycoproteins(AFGPs)facilitate the survival of various organisms in the polar region by preventing internal ice accumulation via an adsorption-inhibition mechanism.Inhibition of AFGP antifreeze activity by the borate buffers has been widely acknowledged as the direct experimental evidence supporting the hydroxyl,rather than methyl,binding mechanism.On the other hand,perturbation of borate binding on the AFGP configuration,which might have considerable influence on the binding efficiency of not only the hydroxyl but also the methyl groups,has rarely been quantitatively examined.Herein we studied,using molecular dynamics simulations,the perturbation on the configuration of a solvated AFGP8 protein induced by the binding of one single borate anion.Near the freezing point,this binding not only makes the disaccharide groups adjacent to the borate-binding disaccharide close to each other but also affects the entire AFGP8 conformation.The structural changes induced by the binding of borate on different disaccharide sidechains exhibit clear site-specificities and the effect of borate binding on the structural changes is significantly reduced at higher temperatures.Our study is valuable for further understanding the relationship between the structure and antifreeze activity of these antifreeze glycoproteins.
文摘With the rapid development and furthering of higher education, most Chinese colleges have carried out large-scale enrollment program, which is a necessary improvement toward higher education reform. Meanwhile, the increasing number of students has posed new problems and requirements for the old teaching method: the English teachers are facing more students and larger classes. In Zhejiang University, City College (ZUCC) the credit system and course selection has challenged the English teachers on a higher level. Every English teacher is facing classes of more than 40 students from various departments with sharp contrast among individual students in their English proficiency level and local background. How can every student actively participate in teaching activity so as to achieve better performance in English class? Many teachers, therefore, have adopted team activity and cooperative teaching method to stimulate student participation in class. Inspired by the management theory to optimize student groups into independent teams, the concept of team construction and team management has been introduced into College English Teaching in ZUCC, which has given new meaning to team activity--it will become an interdisciplinary teaching method with its own feature.
基金ACKNOWLEDGMENT This work was supported Natural Science Foundation by the Hunan Provincial of China (No.06JJ2100).
文摘The diffusion dynamics of small two-dimensional atomic clusters Cux (1≤x≤8) on Cu(lll) surface were studied using the molecular dynamics simulations and a modified analytic embedded-atom method in the temperature range from 200 K to 800 K. The cluster size and temperature dependence of the diffusion coefficients and migration energies are presented. Our simulations show that the diffusion migration energy of the CuT cluster is the highest and the prefactor for the CuT cluster is almost three orders of magnitude larger than that for single atom diffusion. This conclusion is consistent with the experimental results for similar metals. In addition, the dependence of cluster diffusion on film growth is also discussed.
基金Projects(51974204,51474161)supported by the National Natural Science Foundation of China。
文摘In this study,the effects of drying temperature,hot airflow speed and diameter of green pellet on drying rate of artificial magnetite pellet were deeply investigated to clarify the drying characteristics of artificial magnetite green pellet.The results show that the drying process of artificial magnetite green pellet has three stages,accelerated drying stage,constant drying stage and decelerated drying stage.And drying temperature and hot airflow speed both have significant reciprocal effects on moisture ratio and drying rate of green pellet during the drying process.However,the diameter of green pellet has little effect on drying process of green pellet.Then the drying fitting models of Correction Henderson and Pabis,Lewis,Correction Page(III),Wang and Singh are used to describe the drying kinetics of artificial magnetite green pellet.The fitting results indicate that the drying process of artificial magnetite pellet can be described by Correction Page(III)model accurately.Finally,the contrast experiments demonstrate that the fitting model can well describe the actual drying process.
文摘The aim of this study is to observe the prospect of kingship in Nepal. It presents an analysis of the people's perspective on dismissed monarchy and challenges faced by Nepal. There was little voice on Nepali monarchy system, yet many individuals and researcher expressed the need for monarchy to build nation and keep its culture, tradition, and nation unity. To promote the democratic system, political parties should practice democratic norms and respect rules of law in real life rather than just in talk. For the express of people voice and envision prosperous Nepal, this paper attempts to contribute to the need of monarchy back in Nepal far its savereignty and unity. The paper gives a historical overview of kingship in Nepal and discusses incompetent political parties and the importance of monarchy in Nepal. It identifies that to unite the Nepal and Nepali and give the nation social cultural identity, and it needs any form of monarchy in Nepal. The past and present, despite of political systems, social movement, and practice seen from the political parties were failed several times to fulfill people's mandate, such as holding election, writing constitution. The fields discussed in the paper include apathetic attitude of the political parties toward establishing peace and stability in Nepal.
文摘Ninety-eight clay mineral samples from the YSDP102 core were analyzed by x-ray diffractometer to study the four clay minerals: illite, chlorite, kaolinite and smectite. Twenty-eight samples had been analyzed on the laser particle-size analyzer to reveal the particle features of the sediments. Distribution of the clay minerals and the particle characteristics in the YSDP102 core show that the core experienced three different depositional periods and formed three different sedimentary intervals due to different sediment sources and different depositional environments. Features of the clay minerals and the heavy minerals in the YSDP102 core indicate that coarse-grained sediments and fine-grained sediments result from different sources. The Yellow Sea Warm Current has greatly influenced the sedimentary framework of this region since the current’s formation.
文摘China Launched its first satellite for mobile communications on a LM-3B launch vehicle from the Xichang Satellite Launch Center at 0:22 on August 6,2016.The Tiantong 1 satellite was developed by the China Academy of Space Technology under CASC to provide all-weather,all-time stable and reliable mobile communications services to China and surrounding regions as well as to the Middle East,Africa,
基金financially supported by National Natural Science Foundation of China (Grant Nos. 41772197, 41602113)Open Research Fund from the Shandong Provincial Key Laboratory of Depositional Mineralization & Sedimentary Minerals (Shandong University of Science and Technology+1 种基金 Grant No. DMSM2017011)Jiangxi Provincial Graduate Innovation Fund Project (YC2018-S336)
文摘The tafoni that develop in sandstone cliffs have attracted the interest of both scientists and the general public. A necklace-like tafone system, referred to here as beaded tafoni, has developed in the prominent cliffs of the Danxia landscapes within the Longhushan Global Geopark in the subtropical zone of South China. This paper presents a new model of the formation of this system of extraordinary beaded tafoni. The cliffs of the Danxia landscapes of the study area are composed of an alluvial conglomerate(i.e.,red beds). These Danxia landscapes have subrounded summits that are covered by vegetation and experience a nearly vertical water flow induced by gravity. Erosion and collapse of the outsized gravels and concentrated pebbles in the red beds give rise to the initial development of the beaded tafoni. The tafoni then become rounded and beaded as a result of reworking and decay by fluvial outwash. During storms, intense water flows run vertically down the cliffs and generate a whirling motion in the tafoni.Consequently, the inside walls of the tafoni gradually become wider and smoother. During the late development stage, the beaded tafoni tend to become indistinct or disappear because of the interconnection of the tafoni and subsequent merging with the bedding-controlled cavities.
文摘As the times of knowledge-based economy comes, if the enterprise wants to gain dominant position in the international arena, it must pay attention to the human resources strategy. Firstly, this paper defines the basic theory of human resource management, and then in Lenovo case, this paper focused on analyzing Lenovo's acquisition of IBM's PC business, analyzed the condition of Lenovo PC business and mobile Intemet business by using traditional Boston matrix, and concluded that effect of Lenovo acquisition is not significant, then put forward some improving measures.