Against the backdrop of rapid global economic development,the demand for education has gradually shifted from quantitative growth to qualitative improvement.Vocational education,higher education,and continuing educati...Against the backdrop of rapid global economic development,the demand for education has gradually shifted from quantitative growth to qualitative improvement.Vocational education,higher education,and continuing education are crucial components of China’s education system,each serving different educational functions.However,the collaborative innovation among these three types of education is still in the preliminary exploration stage,with issues such as scattered resources and imperfect coordination mechanisms.This paper systematically reviews relevant domestic and international research and practical experiences,thoroughly analyzes the pathways,models,and mechanisms of collaborative innovation among these three types of education,and proposes practical and operational suggestions based on the actual situation in Xuzhou City.The study finds that collaboration between vocational education,higher education,and continuing education through innovation not only enhances the overall efficiency of educational resources but also promotes regional economic development and social progress.On this basis,this paper proposes specific measures such as building an education resource-sharing platform,promoting a chain-based talent training system,strengthening policy and institutional guarantees,and improving incentive mechanisms,aiming to provide a reference for local education administrators and contribute to the innovative development of education in China.展开更多
Increasing levels of pollution within water bodies can cause eutrophication and an associated rapid growth in and reproduction of phytoplankton. Although most frequently occurring in bodies of water such as lakes and ...Increasing levels of pollution within water bodies can cause eutrophication and an associated rapid growth in and reproduction of phytoplankton. Although most frequently occurring in bodies of water such as lakes and dams, in recent years an increasing number of river systems in China have suffered serious algal blooms. The community structure of phytoplankton may differ, however, dependent on the hydrodynamic conditions and nutrient levels within the water body. The field investigation results obtained from a stagnant river in Suzhou City and Taihu Lake, China, showed that in water with higher concentrations of nitrogen and phosphorus, Chlorophyta became the predominant species and in water with lower concentrations of nitrogen and phosphorus, Cyanobacteria became the predominant species. Growth experiments with competitive species, Microcystis aeruginosa Kutz and Scenedesmus quadricauda (Turp.), were conducted at three different nutrient levels. The biomass of algae in pure and mixed cultures was measured under conditions of different N/P ratios at oligotrophic, eutrophic and hypertrophic nutrient levels. The results indicated that the most suitable state for the growth and reproduction of M. aeruginosa and S. quadricauda were eutrophic conditions in both pure and mixed cultures. Under competition, however, the lower medium nutrient levels favoured M. aeruginosa, while the higher medium nutrient levels better suited S. quadricauda. Under similar hydrodynamic conditions, the community structure of phytoplankton in the water body was determined by the dominant species in competition for nutrients.展开更多
A molecular electronegativity distance vector(M)based on 13 atomic types has been used to describe the structures of 19 conjugates(LHCc)of levofloxacin-thiadiazole HDAC inhibitor(HDACi)and related inhibitory activitie...A molecular electronegativity distance vector(M)based on 13 atomic types has been used to describe the structures of 19 conjugates(LHCc)of levofloxacin-thiadiazole HDAC inhibitor(HDACi)and related inhibitory activities(pH,i=1,2,6)of LHCc against histone deacetylases(HDACs,such as HDAC1,HDAC2 and HDAC6).The quantitative structure-activity relationships(QSAR)were established by using leaps-and-bounds regression analysis for the inhibitory activities(pH)of 19 above compounds to HDAC1,HDAC2 and HDAC6 along with M.The correlation coefficients(R~2)and the leave-one-out(LOO)cross validation Rfor the pH,pHand pHmodels were 0.976 and 0.949;0.985 and 0.977;0.976 and 0.932,respectively.The QSAR models had favorable correlations,as well as robustness and good prediction capability by R~2,F,R~2,A,Fand Vtests.Validated by using 3876 training sets,the models have good external prediction ability.The results indicate that the molecular structural units:–CH–(g=1,2),–NH,–OH,=O,–O–and–S–are the main factors which can affect the inhibitory activity of pH,pHas well as pHbioactivities of these compounds directly.Accordingly,the main interactions between HDACs inhibitor and HDACs are hydrophobic interaction,hydrogen bond,and coordination with Znto form compounds,which is consistent with the results in reports.展开更多
Based on Hall et al. electrotopological state indices(EK) of atom types, two quantitative structure-activity relationship(QSAR) models were developed to estimate and predict the action strength(W) of D(OM)(di...Based on Hall et al. electrotopological state indices(EK) of atom types, two quantitative structure-activity relationship(QSAR) models were developed to estimate and predict the action strength(W) of D(OM)(dimethoxy-methyl-amphetamine) for 18 phenyl-isopropyl-amine dopes(PPAD) through linear method(multiple linear regression, MLR) and non-linear method(Back propagation artificial neural network, BP-ANN). On the basis of EK, the optimal three-parameter(E14, E9, E7) QSAR model of W for 18 PPAD was constructed. The traditional correlation coefficient(R^2) and cross-validation correlation coefficient(Rcv^2) are 0.878 and 0.815, respectively. The result demonstrates that the model is highly reliable(from the point of view of statistics) and has good predictive ability by using R^2, Rcv^2, VIF, FIT, AIC and F tests. Form the three parameters of the model, it is known that the dominant influence factors of inhibited activity are the molecular structure fragments: =CH–(secondary carbon), =C〈(tertiary carbon atom) in aromatic ring and –O–(phenol ether bond). The results showed that the structure parameters E14, E9 and E7 have good rationality and efficiency for the W of phenyl-isopropyl-amine dope(PPAD) analogues. A BP-ANN with 3-3-1 architecture was generated by using three electrotopological state index descriptors(E14, E9, E7) appearing in the MLR model, the above descriptors were inputs and its output was action strength(W). The nonlinear BP-ANN model has better predictive ability compared to the linear MLR model with R^2 and Rcv^2 of leave-one-out(LOO) to be 0.995 and 0.994, respectively. The regression method gave support to the neural network with physical explanation, which offers a more accurate model for QSAR. Those models can be used in the rational design of higher stimulating extent PPAD, which provide meaningful reference information to improve the detection methods of PPAD.展开更多
Density functional theory(DFT)-B3LYP level with the 6-311G**(d,p) basis set was used to calculate a set of molecular quantum chemical descriptors of 12 chloroanilines. Quantitative structure-activity relationshi...Density functional theory(DFT)-B3LYP level with the 6-311G**(d,p) basis set was used to calculate a set of molecular quantum chemical descriptors of 12 chloroanilines. Quantitative structure-activity relationship(QSAR) models of the bioconcentration factors(BCF) of the anilines in fish were established using some of the following calculated descriptors: EHOMO, ENHOMO, ELUMO, ENLUMO, ΔE1(= ELUMO- EHOMO), ΔE2(= ENLUMO- ENHOMO), dipole moment(μ), molecular volume(V), vibrational energy of 0 K(Ev), thermodynamic energy(E), heat capacity(Cv), entropy(Sm) and the charge of benzene ring(Qph). Using the variable selection and leaps-and-bounds regression, the quantum chemical descriptors derived directly from the molecular structures were employed to develop a linear QSAR model between the bioconcentration factors(BCF) and two descriptors(Sm, ENHOMO) of 12 chloroanilines. Statistically, the most significant one is a two-parameter linear equation with the correlation coefficient(R^2) of 0.981 and cross-validated correlation coefficient(Rcv^2) of 0.967. The established QSAR model has good stability and predictability based on the results from Rcv2 of leave-one-out cross-validation, AIC, FIT and tα/2. The quantum chemical analyses were performed from two aspects of frontier molecular orbital and entropy. The results show that two structural describers are crucial to the bioconcentration activity of chloroanilines.展开更多
We studied how bioflocculants,produced by white-rot fungi,affect flocculation in slime water.Based on a test in an orthogonal design,flocculation conditions were optimized.The results show that flocculation activity i...We studied how bioflocculants,produced by white-rot fungi,affect flocculation in slime water.Based on a test in an orthogonal design,flocculation conditions were optimized.The results show that flocculation activity is at its highest when the following conditions are met:slime water concentration 27.42 g/L;coagulant aid(CaCl_2) mass concentration 5.0 g/L;two-segment stirrings:the first at a stirring speed of 60 r/min for 180 s and the second 180 r/min for 60 s;a pH of 11 and a flocculant concentration of 15 mL/L.The flocculation activity can be up to 98.71%of bioflocculants at the time.Further experiments indicate that most of the flocculation active material is found outside the mycelium cells.This is the extracellular secretion produced by mycelium cells during the fermentation process.This flocculant has strong thermal stability.Many kinds of cations have a flocculation function to assist bioflocculants.This aid-flocculation effect of the divalent cation Ca^(2+) is obvious in the bioflocculant produced by the white-rot fungus.Therefore,this is of great value when applied to control engineering in the battle against water pollution.展开更多
Based on the characteristics of atom types, Hall's electrotopological state indices (En) are calculated for 165 nonionic organic compounds. On the basis of the characteristics of substituent and conjugated matrix, ...Based on the characteristics of atom types, Hall's electrotopological state indices (En) are calculated for 165 nonionic organic compounds. On the basis of the characteristics of substituent and conjugated matrix, a novel molecular structure parameter (G) is defined and calculated for 165 molecules in this paper. En and G show good structural selectivity for organic molecules. G, a satisfactory relationship between bioconcentration factor (BCF) and En, is expressed as: 1gBCF = -0.283 + 1.246G + 0.079E42 + 0.351E9- 0.063E17 (n' = 122, R = 0.967, F = 425.636, s = 0.394), which could provide estimation and prediction for the lgBCF of nonionic organic chemicals. Furthermore, the model is examined to validate overall robustness with Jackknife tests, and the independent variables in model do not exist cross correlation with VIF. All these regression results show that the new parameter G and electrotopological state index have good rationality and efficiency. It is concluded that the En and G will be used widely in quantitative structure-property/activity relationship (QSPR/QSAR) research.展开更多
The uniaxial compression tests for mudstone specimens are carried out with four different loading rates from room temperature to 400℃ by using the Rock Mechanics Servo-controlled Testing System MTS810 and high temper...The uniaxial compression tests for mudstone specimens are carried out with four different loading rates from room temperature to 400℃ by using the Rock Mechanics Servo-controlled Testing System MTS810 and high temperature furnace MTS652.02.The mechanical properties of mudstone with various loading rates are studied under different temperature conditions.The results show that when temperature increases from room temperature to 400℃ and loading rate is less than 0.03 mm/s,the peak strength of mudstone specimen decreases as loading rate increases,while the various peak strengths show significant differences when loading rate exceeds 0.03 mm/s.At room temperature,the elastic modulus decreases at the first time and then increases with loading rate rising.When the temperature is between200 and 400℃,the elastic modulus presents a decreasing trend with increasing loading rate.With increasing the loading rate,the number of fragments in mudstone becomes larger and even the powder is observed in mudstone with higher loading rate.Under high loading rate,the failure mode of mudstone specimens under different temperatures is mainly conical damage.展开更多
The mechanical properties of limestone such as the stress-strain curve, the variable characteristics of peak strength and the modulus of elasticity of limestone were studied under the action of temperatures ranging fr...The mechanical properties of limestone such as the stress-strain curve, the variable characteristics of peak strength and the modulus of elasticity of limestone were studied under the action of temperatures ranging from room temperature to 800 °C.Our results show that:1) the temperature has not clear effect on the mechanical properties of limestone from room temperature to 600 °C.However, the mechanical properties of limestone deteriorate rapidly when the temperature is above 600 °C.In this case, the peak stress and modulus of elasticity decrease rapidly.When the temperature reaches 800 °C, the entire process, showing the stress-strain curve is displayed indicating an obvious state of plastic-deformation;2) the failure mode of limestone shows the breakdown of tensile strength from room temperature to 600 °C, as well as the compress shearing damage over 600 °C;3) combining our test results with the concept of thermal damage, a thermal damage equation was derived.展开更多
High-flow hydraulic one-way valves in water pipes are typically used to mitigate conditions,which would otherwise cause vibration and cavitation erosion after long-term operation.To prevent cavitation and enhance the ...High-flow hydraulic one-way valves in water pipes are typically used to mitigate conditions,which would otherwise cause vibration and cavitation erosion after long-term operation.To prevent cavitation and enhance the performance of hydraulic one-way valves,in the present work a dedicated experimental study has been conducted.The structural parameters relating to the pilot valve core,the main valve core,and the through-flow section of the considered flow channel have been changed to analyse reverse impact,and cavitation,characteristics.The results show that the control pressure has a weak effect on the cavitation characteristics,while changes in the structural parameters can significantly affect them.In particular,the cavitation index,representing the extent of cavitation,has been found to display a linear correlation with the inlet pressure,but,not with the inlet flow rate.Most importantly,a stepped throttling structure can reduce the pressure oscillation,improve the response speed,enhance the impact characteristics,and decrease the likelihood and severity of cavitation.The larger the flow passage area,the shorter the unloading time.Cavitation mainly occurs when the pilot valve core is fully opened.The stepped main valve core throttling structure has been found to be an optimal option.展开更多
[ Objective ] The study aimed at treating wastewater treatment plant (WWTP) effluent by using bio-film reactor with filamentous bamboo as bio-carrier. [ Method] With the aid of a continuous flow reactor, a bio-film ...[ Objective ] The study aimed at treating wastewater treatment plant (WWTP) effluent by using bio-film reactor with filamentous bamboo as bio-carrier. [ Method] With the aid of a continuous flow reactor, a bio-film reactor using filamentous bamboo as bio-carrier was used to treat WWTP effluent with low C/N ratio, and the removal effects of CODc,, TN (total nitrogen), and NO3--N in the wastewater were analyzed.[ Result ] The average removal rates of CODcr, TN, and NO3- -N reached 47.7%, 23.6% and 34.5% when the C/N ratio of influent was around 2. In addi- tion, a stable bio-film was formed very well in the secondary effluent with low C/N ratio and hardly degradable organic pollutants. The pollutants could be removed effectively because of the excellent surface characteristics and compositions of filamentous bamboo. [ Conclusion] The research provides a new method to treat WWTP effluent with low C/N ratio.展开更多
In this experiment, red sandstone specimens, having slenderness ratios of 0.5, 0.7, 0.9 and 1.1 respectively, were subjected to blow tests using a Split Hopkinson Pressure Bar(SHPB) system at a pressure of 0.4 atmosph...In this experiment, red sandstone specimens, having slenderness ratios of 0.5, 0.7, 0.9 and 1.1 respectively, were subjected to blow tests using a Split Hopkinson Pressure Bar(SHPB) system at a pressure of 0.4 atmospheres. In this paper, we have analyzed the effect of slenderness ratio on the mechanical properties and energy dissipation characteristics of red sandstone under high strain rates. The processes of compaction, elastic deformation and stress softening deformation of specimens contract with an increase in slenderness ratio, whilst the nonlinear deformation process extends correspondingly. In addition, degrees of damage of specimens reduced gradually and the type of destruction showed a transformation trend from stretching failure towards shear failure when the slenderness ratio increased. A model of dynamic damage evolution in red sandstone was established and the parameters of the constitutive model at different ratios of length to diameter were determined. By comparison with the experimental curve, the accuracy of the model, which could reflect the stress–strain dynamic characteristics of red sandstone, was verified. From the view of energy dissipation, an increase in slenderness ratio of a specimen decreased the proportion of energy dissipation and caused a gradual fall in the capability of energy dissipation during the specimen failure process. To some extent, the study indicated the effects of slenderness ratios on the mechanical properties and energy dissipation characteristics of red sandstone under the high strain rate, which provides valuable references to related engineering designs and academic researches.展开更多
In this paper, the reverse order law for the Moore-Penrose inverse of closed linear operators with closed range is investigated by virtue of the Norm-preserving extension of the bounded linear operators. The results g...In this paper, the reverse order law for the Moore-Penrose inverse of closed linear operators with closed range is investigated by virtue of the Norm-preserving extension of the bounded linear operators. The results generalize some results obtained by S Izumino in [12].展开更多
This paper describes an orthogonal experiment on the effect of water/cement ratio,water consumption per cubic meter,curing time,and type of sand on the response"resistance to chloride ion penetration".A sea-sand con...This paper describes an orthogonal experiment on the effect of water/cement ratio,water consumption per cubic meter,curing time,and type of sand on the response"resistance to chloride ion penetration".A sea-sand containing concrete was used for the trials.An analysis of chloride ion diffusion coefficients at different factor levels was performed.A predictive model of chloride ion diffusion in concrete is developed through regression analysis.The experimental results show that when the water/cement ratio varies from 0.45 to 0.60,and the water consumption per cubic meter varies from 185 to 215 kg,and the curing time varies from 30 to 180 d then the size of the effects fall in the order(most significant first): curing time,type of sand,water consumption per cubic meter,and water/cement ratio.Chloride ion penetration is reduced,and better durability of the concrete is observed,with longer curing times,less water consumption per cubic meter,and a smaller water/cement ratio.展开更多
Graphite antimony composites were prepared using a mechanical pressure infiltration method to force molten antimony into graphite preforms having a percolation micro-structure and a hop-pocket power filler. The micro-...Graphite antimony composites were prepared using a mechanical pressure infiltration method to force molten antimony into graphite preforms having a percolation micro-structure and a hop-pocket power filler. The micro-structural and macroscopic properties of the graphite antimony composites were analysed. Observations included metallographic analysis, physical properties and friction and wear behaviour. The results show that the wear loss is decreased by 12.24% and that the friction coefficient is re-duced by 32.61% after hop-pocket power was used. The research indicates that the hop-pocket power method gives a useful way to reduce friction coefficients and wear loss, and to increase service life and self-lubrication properties, of the graphite antimony seal-ing material as compared to carbon black.展开更多
The microscopic morphology and pore structure characteristics of concrete with composite admixtures(fly ash and mineral powder) after chlorine salt erosion were analyzed via scanning electron microscopy(SEM) and mercu...The microscopic morphology and pore structure characteristics of concrete with composite admixtures(fly ash and mineral powder) after chlorine salt erosion were analyzed via scanning electron microscopy(SEM) and mercury injection porosimetry(MIP), providing the basis for the design and maintenance of concrete shafts in coal mines. The above-mentioned characteristics were compared with the macroscopic characteristic of concrete fractures under uniaxial compression. The results show that the macroscopic fracture characteristics of concrete under uniaxial compression change from longitudinal split fracture and oblique section shear fracture to conjugate cant fracture, and the degree of breakage increases.Interface cracks, cement paste cracks, spherical surface cracks, and aggregate cracks appear in concrete under uniaxial compression. In the early stages of corrosion, the original cracks which are obvious are repaired. When the corrosion becomes more serious, cement paste cracks appear, and the number of harmful holes increases while the number of harmless holes decreases. This study also reveals the relationship between the macroscopic properties and microscopic structure of concrete under chloride salt erosion. Finally, the paper preliminarily discussed the relationship between the macroscopic properties and mesoscopic characteristics of concrete under chlorine salt erosion.展开更多
The experimental tests for limestone specimens at 700 °C in uniaxial compression were carried out to inves- tigate the mechanical effects of loading rates on limestone by using a MTS810 rock mechanics servo- cont...The experimental tests for limestone specimens at 700 °C in uniaxial compression were carried out to inves- tigate the mechanical effects of loading rates on limestone by using a MTS810 rock mechanics servo- controlled testing system considering the loading rate as a variable. The mechanical properties of limestone such as the stress-strain curve, variable characteristics of peak strength and the modulus of elasticity of limestone were studied under the strain rates ranging from 1.1 10à5 to 1.1 10à1 sà1. (1) Sharp decreases were shown for the peak strength and elastic modulus of limestone from 1.1 10à5 to 1.1 10à4 sà1 at 700 °C as well as a downward trend was shown from 1.1 10à4 to 1.1 10à1 sà1 with the rise of the strain rate. (2) The peak strain increased from 1.1 10à5 to 1.1 10à4 sà1, however, there was no obvious changes shown for the peak strain of limestone from 1.1 10à4 to 1.1 10à1 sà1. These results can provide valuable references for the rock blasting effect and design of mine.展开更多
We theoretically study the structural, electronic, and optical properties of lithium niobate under pressure using the plane-wave pseudopotential density functional theory by CASTEP code. It was found that there is a p...We theoretically study the structural, electronic, and optical properties of lithium niobate under pressure using the plane-wave pseudopotential density functional theory by CASTEP code. It was found that there is a phase transition from the R3 c structure to the Pnma structure at a pressure of 18.7 GPa. The Pnma structure was dynamically stable according to the calculation of phonon dispersion. From the charge density distributions, there exist covalent interactions along the Nb–O bond. The hybridization between O 2p and Nb 4d orbital in the Pnma phase increases with increasing pressure, while it is not changed in the R3c phase. With increasing pressure, the average Nb–O bond length decreases and the Nb–O bond population increases, indicating the increased covalent character between Nb and O atoms under high pressure at Pnma phase, which leads to the increased hybridization between O 2p and Nb 4d orbitals. Furthermore, the optical dielectric function, refractive index, extinction coefficient, electron energy, loss and reflectivity are calculated.展开更多
In the study, a serine protease gene from Pantoea ananatis was cloned and expressed in prokaryotic cells. The activity of recombinant serine protease was analyzed. The results showed that the recombinant serine protea...In the study, a serine protease gene from Pantoea ananatis was cloned and expressed in prokaryotic cells. The activity of recombinant serine protease was analyzed. The results showed that the recombinant serine protease gene was 1 062 bp, encoding 352 amino acids ; the optimal reaction temperature for recombinant serine protease was 50 ℃, and the optimal pH was 5. 0. The serine protease could be developed into a new tool enzyme in biological engineering and food processing.展开更多
This paper presents a brief overview of CO2 reforming of CH4 (CRM) by various forms of "arc" plasma, which is more suitable to CRM, and the energy efficiency is used to evaluate different plasma processes specific...This paper presents a brief overview of CO2 reforming of CH4 (CRM) by various forms of "arc" plasma, which is more suitable to CRM, and the energy efficiency is used to evaluate different plasma processes specifically. According to the reported results, the arc thermal plasma with binode exhibited better performance. Moreover, the plasma CRM process was compared with the reported plasma steam reforming of CH4 (SRM) process, and the results showed that the former process has advantages on energy efficiency and CH4 consumption. Additionally, it is believed that the plasma CRM process would be competitive with the conventional SRM process in both energy efficiency and CO2 emission once the heat management is emphasized and the renewable power is used. Finally, a concept of plasma reactor for industrial application is proposed.展开更多
文摘Against the backdrop of rapid global economic development,the demand for education has gradually shifted from quantitative growth to qualitative improvement.Vocational education,higher education,and continuing education are crucial components of China’s education system,each serving different educational functions.However,the collaborative innovation among these three types of education is still in the preliminary exploration stage,with issues such as scattered resources and imperfect coordination mechanisms.This paper systematically reviews relevant domestic and international research and practical experiences,thoroughly analyzes the pathways,models,and mechanisms of collaborative innovation among these three types of education,and proposes practical and operational suggestions based on the actual situation in Xuzhou City.The study finds that collaboration between vocational education,higher education,and continuing education through innovation not only enhances the overall efficiency of educational resources but also promotes regional economic development and social progress.On this basis,this paper proposes specific measures such as building an education resource-sharing platform,promoting a chain-based talent training system,strengthening policy and institutional guarantees,and improving incentive mechanisms,aiming to provide a reference for local education administrators and contribute to the innovative development of education in China.
基金supported by the Natural Science Foundation of Jiangsu Province (No.BK2006710) the Hi-Tech Research and Development Program (863) of China (No:2003AA601100)
文摘Increasing levels of pollution within water bodies can cause eutrophication and an associated rapid growth in and reproduction of phytoplankton. Although most frequently occurring in bodies of water such as lakes and dams, in recent years an increasing number of river systems in China have suffered serious algal blooms. The community structure of phytoplankton may differ, however, dependent on the hydrodynamic conditions and nutrient levels within the water body. The field investigation results obtained from a stagnant river in Suzhou City and Taihu Lake, China, showed that in water with higher concentrations of nitrogen and phosphorus, Chlorophyta became the predominant species and in water with lower concentrations of nitrogen and phosphorus, Cyanobacteria became the predominant species. Growth experiments with competitive species, Microcystis aeruginosa Kutz and Scenedesmus quadricauda (Turp.), were conducted at three different nutrient levels. The biomass of algae in pure and mixed cultures was measured under conditions of different N/P ratios at oligotrophic, eutrophic and hypertrophic nutrient levels. The results indicated that the most suitable state for the growth and reproduction of M. aeruginosa and S. quadricauda were eutrophic conditions in both pure and mixed cultures. Under competition, however, the lower medium nutrient levels favoured M. aeruginosa, while the higher medium nutrient levels better suited S. quadricauda. Under similar hydrodynamic conditions, the community structure of phytoplankton in the water body was determined by the dominant species in competition for nutrients.
基金supported by the National Natural Science Foundation of China(21473081,21075138)special fund of State Key Laboratory of Structure Chemistry(20160028)
文摘A molecular electronegativity distance vector(M)based on 13 atomic types has been used to describe the structures of 19 conjugates(LHCc)of levofloxacin-thiadiazole HDAC inhibitor(HDACi)and related inhibitory activities(pH,i=1,2,6)of LHCc against histone deacetylases(HDACs,such as HDAC1,HDAC2 and HDAC6).The quantitative structure-activity relationships(QSAR)were established by using leaps-and-bounds regression analysis for the inhibitory activities(pH)of 19 above compounds to HDAC1,HDAC2 and HDAC6 along with M.The correlation coefficients(R~2)and the leave-one-out(LOO)cross validation Rfor the pH,pHand pHmodels were 0.976 and 0.949;0.985 and 0.977;0.976 and 0.932,respectively.The QSAR models had favorable correlations,as well as robustness and good prediction capability by R~2,F,R~2,A,Fand Vtests.Validated by using 3876 training sets,the models have good external prediction ability.The results indicate that the molecular structural units:–CH–(g=1,2),–NH,–OH,=O,–O–and–S–are the main factors which can affect the inhibitory activity of pH,pHas well as pHbioactivities of these compounds directly.Accordingly,the main interactions between HDACs inhibitor and HDACs are hydrophobic interaction,hydrogen bond,and coordination with Znto form compounds,which is consistent with the results in reports.
基金supported by the National Natural Science Foundation of China(21075138)special fund of State Key Laboratory of Structural Chemistry(20160003)
文摘Based on Hall et al. electrotopological state indices(EK) of atom types, two quantitative structure-activity relationship(QSAR) models were developed to estimate and predict the action strength(W) of D(OM)(dimethoxy-methyl-amphetamine) for 18 phenyl-isopropyl-amine dopes(PPAD) through linear method(multiple linear regression, MLR) and non-linear method(Back propagation artificial neural network, BP-ANN). On the basis of EK, the optimal three-parameter(E14, E9, E7) QSAR model of W for 18 PPAD was constructed. The traditional correlation coefficient(R^2) and cross-validation correlation coefficient(Rcv^2) are 0.878 and 0.815, respectively. The result demonstrates that the model is highly reliable(from the point of view of statistics) and has good predictive ability by using R^2, Rcv^2, VIF, FIT, AIC and F tests. Form the three parameters of the model, it is known that the dominant influence factors of inhibited activity are the molecular structure fragments: =CH–(secondary carbon), =C〈(tertiary carbon atom) in aromatic ring and –O–(phenol ether bond). The results showed that the structure parameters E14, E9 and E7 have good rationality and efficiency for the W of phenyl-isopropyl-amine dope(PPAD) analogues. A BP-ANN with 3-3-1 architecture was generated by using three electrotopological state index descriptors(E14, E9, E7) appearing in the MLR model, the above descriptors were inputs and its output was action strength(W). The nonlinear BP-ANN model has better predictive ability compared to the linear MLR model with R^2 and Rcv^2 of leave-one-out(LOO) to be 0.995 and 0.994, respectively. The regression method gave support to the neural network with physical explanation, which offers a more accurate model for QSAR. Those models can be used in the rational design of higher stimulating extent PPAD, which provide meaningful reference information to improve the detection methods of PPAD.
基金co-financed by the National Natural Science Foundation of China(21075138)special fund of State Key Joint Laboratory of Environment Simulation and Pollution Control(13K02ESPCT)
文摘Density functional theory(DFT)-B3LYP level with the 6-311G**(d,p) basis set was used to calculate a set of molecular quantum chemical descriptors of 12 chloroanilines. Quantitative structure-activity relationship(QSAR) models of the bioconcentration factors(BCF) of the anilines in fish were established using some of the following calculated descriptors: EHOMO, ENHOMO, ELUMO, ENLUMO, ΔE1(= ELUMO- EHOMO), ΔE2(= ENLUMO- ENHOMO), dipole moment(μ), molecular volume(V), vibrational energy of 0 K(Ev), thermodynamic energy(E), heat capacity(Cv), entropy(Sm) and the charge of benzene ring(Qph). Using the variable selection and leaps-and-bounds regression, the quantum chemical descriptors derived directly from the molecular structures were employed to develop a linear QSAR model between the bioconcentration factors(BCF) and two descriptors(Sm, ENHOMO) of 12 chloroanilines. Statistically, the most significant one is a two-parameter linear equation with the correlation coefficient(R^2) of 0.981 and cross-validated correlation coefficient(Rcv^2) of 0.967. The established QSAR model has good stability and predictability based on the results from Rcv2 of leave-one-out cross-validation, AIC, FIT and tα/2. The quantum chemical analyses were performed from two aspects of frontier molecular orbital and entropy. The results show that two structural describers are crucial to the bioconcentration activity of chloroanilines.
基金the Shenhuo Mining Group Co.Ltd.,China for its financial support.At the same time,we also thank the National Natural Science Foundation of China(No.40373044)the Natural Science Foundation of Jiangsu Province (No.05KJD610209) for their supportthe Jiangsu Key Laboratory of Resources and Environmental Information Engineering for its technical support.
文摘We studied how bioflocculants,produced by white-rot fungi,affect flocculation in slime water.Based on a test in an orthogonal design,flocculation conditions were optimized.The results show that flocculation activity is at its highest when the following conditions are met:slime water concentration 27.42 g/L;coagulant aid(CaCl_2) mass concentration 5.0 g/L;two-segment stirrings:the first at a stirring speed of 60 r/min for 180 s and the second 180 r/min for 60 s;a pH of 11 and a flocculant concentration of 15 mL/L.The flocculation activity can be up to 98.71%of bioflocculants at the time.Further experiments indicate that most of the flocculation active material is found outside the mycelium cells.This is the extracellular secretion produced by mycelium cells during the fermentation process.This flocculant has strong thermal stability.Many kinds of cations have a flocculation function to assist bioflocculants.This aid-flocculation effect of the divalent cation Ca^(2+) is obvious in the bioflocculant produced by the white-rot fungus.Therefore,this is of great value when applied to control engineering in the battle against water pollution.
基金the State Key Laboratory of Pollution Control and Reuse of China Project Proposal (PCRRF07009)the University Natural Science Foundation of Jiangsu Province (05KJD150221)Natural Science Incubation Foundation of Xuzhou Normal University (05PLY04)
文摘Based on the characteristics of atom types, Hall's electrotopological state indices (En) are calculated for 165 nonionic organic compounds. On the basis of the characteristics of substituent and conjugated matrix, a novel molecular structure parameter (G) is defined and calculated for 165 molecules in this paper. En and G show good structural selectivity for organic molecules. G, a satisfactory relationship between bioconcentration factor (BCF) and En, is expressed as: 1gBCF = -0.283 + 1.246G + 0.079E42 + 0.351E9- 0.063E17 (n' = 122, R = 0.967, F = 425.636, s = 0.394), which could provide estimation and prediction for the lgBCF of nonionic organic chemicals. Furthermore, the model is examined to validate overall robustness with Jackknife tests, and the independent variables in model do not exist cross correlation with VIF. All these regression results show that the new parameter G and electrotopological state index have good rationality and efficiency. It is concluded that the En and G will be used widely in quantitative structure-property/activity relationship (QSPR/QSAR) research.
基金supported by the National Natural Science Foundation of China(Nos.51104128,51322401,51304201 and 51204159)Jiangsu Province Prospective industry-UniversityResearch Cooperation Research Program of China(No.BY2012085)+2 种基金Doctor Station Fund of China(No.20120095110013)333 Project Program of Jiangsu Province of China"Blue Project" Program of Jiangsu Province of China
文摘The uniaxial compression tests for mudstone specimens are carried out with four different loading rates from room temperature to 400℃ by using the Rock Mechanics Servo-controlled Testing System MTS810 and high temperature furnace MTS652.02.The mechanical properties of mudstone with various loading rates are studied under different temperature conditions.The results show that when temperature increases from room temperature to 400℃ and loading rate is less than 0.03 mm/s,the peak strength of mudstone specimen decreases as loading rate increases,while the various peak strengths show significant differences when loading rate exceeds 0.03 mm/s.At room temperature,the elastic modulus decreases at the first time and then increases with loading rate rising.When the temperature is between200 and 400℃,the elastic modulus presents a decreasing trend with increasing loading rate.With increasing the loading rate,the number of fragments in mudstone becomes larger and even the powder is observed in mudstone with higher loading rate.Under high loading rate,the failure mode of mudstone specimens under different temperatures is mainly conical damage.
基金Projects 50490273 supported by the National Natural Science Foundation of China2007CB209400 by the National Basic Research Program of China+1 种基金08KJD130003 by the Basic Research Program of University in Jiangsu ProvinceXKY2007219 by Xuzhou Institute of Technology
文摘The mechanical properties of limestone such as the stress-strain curve, the variable characteristics of peak strength and the modulus of elasticity of limestone were studied under the action of temperatures ranging from room temperature to 800 °C.Our results show that:1) the temperature has not clear effect on the mechanical properties of limestone from room temperature to 600 °C.However, the mechanical properties of limestone deteriorate rapidly when the temperature is above 600 °C.In this case, the peak stress and modulus of elasticity decrease rapidly.When the temperature reaches 800 °C, the entire process, showing the stress-strain curve is displayed indicating an obvious state of plastic-deformation;2) the failure mode of limestone shows the breakdown of tensile strength from room temperature to 600 °C, as well as the compress shearing damage over 600 °C;3) combining our test results with the concept of thermal damage, a thermal damage equation was derived.
基金supported by the University Natural Science Research Programme of Jiangsu Province(grant numbers 18KJB460028)the Natural Science Foundation of Jiangsu Province(grant numbers BK20180177)+1 种基金the Major Programme from the Natural Science Foundation for Colleges and Universities of Jiangsu Province(grant numbers 18KJA460008)the Project of Xuzhou Applied and Basic Research(grant numbers KH17012).
文摘High-flow hydraulic one-way valves in water pipes are typically used to mitigate conditions,which would otherwise cause vibration and cavitation erosion after long-term operation.To prevent cavitation and enhance the performance of hydraulic one-way valves,in the present work a dedicated experimental study has been conducted.The structural parameters relating to the pilot valve core,the main valve core,and the through-flow section of the considered flow channel have been changed to analyse reverse impact,and cavitation,characteristics.The results show that the control pressure has a weak effect on the cavitation characteristics,while changes in the structural parameters can significantly affect them.In particular,the cavitation index,representing the extent of cavitation,has been found to display a linear correlation with the inlet pressure,but,not with the inlet flow rate.Most importantly,a stepped throttling structure can reduce the pressure oscillation,improve the response speed,enhance the impact characteristics,and decrease the likelihood and severity of cavitation.The larger the flow passage area,the shorter the unloading time.Cavitation mainly occurs when the pilot valve core is fully opened.The stepped main valve core throttling structure has been found to be an optimal option.
基金Supported by the Scientific Research Foundation for Postgraduates of ZhengZhou University (A1003) Open Foundation of Provincial Key Laboratory of Environmental Material and Environmental Engineering (K11027)
文摘[ Objective ] The study aimed at treating wastewater treatment plant (WWTP) effluent by using bio-film reactor with filamentous bamboo as bio-carrier. [ Method] With the aid of a continuous flow reactor, a bio-film reactor using filamentous bamboo as bio-carrier was used to treat WWTP effluent with low C/N ratio, and the removal effects of CODc,, TN (total nitrogen), and NO3--N in the wastewater were analyzed.[ Result ] The average removal rates of CODcr, TN, and NO3- -N reached 47.7%, 23.6% and 34.5% when the C/N ratio of influent was around 2. In addi- tion, a stable bio-film was formed very well in the secondary effluent with low C/N ratio and hardly degradable organic pollutants. The pollutants could be removed effectively because of the excellent surface characteristics and compositions of filamentous bamboo. [ Conclusion] The research provides a new method to treat WWTP effluent with low C/N ratio.
基金Financial support for this work, provided by the National Basic Research Program of China (No. 2013CB227900)the National Natural Science Foundation of China (No. 51074166), the National Natural Science Foundation for Young (Nos. 51304200, 51304201 and 51104128)+3 种基金the Specialized Research Fund for the Doctoral Program of Higher Education of China (No. 20120095110013)the Open Fund of the State Key Laboratory of Coal Resource and Safe Mining (No. 10F08)the Colleges and Universities in Jiangsu Province Plans to Graduate Research and Innovation (No. CXLX13_935)the College Students’ Innovative Entrepreneurial Foundation of China University of Mining and Technology (No. 2013DXS03)
文摘In this experiment, red sandstone specimens, having slenderness ratios of 0.5, 0.7, 0.9 and 1.1 respectively, were subjected to blow tests using a Split Hopkinson Pressure Bar(SHPB) system at a pressure of 0.4 atmospheres. In this paper, we have analyzed the effect of slenderness ratio on the mechanical properties and energy dissipation characteristics of red sandstone under high strain rates. The processes of compaction, elastic deformation and stress softening deformation of specimens contract with an increase in slenderness ratio, whilst the nonlinear deformation process extends correspondingly. In addition, degrees of damage of specimens reduced gradually and the type of destruction showed a transformation trend from stretching failure towards shear failure when the slenderness ratio increased. A model of dynamic damage evolution in red sandstone was established and the parameters of the constitutive model at different ratios of length to diameter were determined. By comparison with the experimental curve, the accuracy of the model, which could reflect the stress–strain dynamic characteristics of red sandstone, was verified. From the view of energy dissipation, an increase in slenderness ratio of a specimen decreased the proportion of energy dissipation and caused a gradual fall in the capability of energy dissipation during the specimen failure process. To some extent, the study indicated the effects of slenderness ratios on the mechanical properties and energy dissipation characteristics of red sandstone under the high strain rate, which provides valuable references to related engineering designs and academic researches.
文摘In this paper, the reverse order law for the Moore-Penrose inverse of closed linear operators with closed range is investigated by virtue of the Norm-preserving extension of the bounded linear operators. The results generalize some results obtained by S Izumino in [12].
基金This project owes gratitude to the Science and Technology Project (No.2008-K4-27) of Ministry of Housing and Urban-Rural Developmentthe"Tralented Personnel Nurturing in Six Fundamental Fields"Project of Jiangsu Province and"Qing-Lan Project"+2 种基金the Science and Technology Project of Jiangsu Bureau of Construction and Supervision (No.JG2007-13)the Science and Technology Planning Project of Xuzhou City(No.XJ08077)the Scientific Research Project of Xuzhou Institute of Technology(No.XKY2008225).
文摘This paper describes an orthogonal experiment on the effect of water/cement ratio,water consumption per cubic meter,curing time,and type of sand on the response"resistance to chloride ion penetration".A sea-sand containing concrete was used for the trials.An analysis of chloride ion diffusion coefficients at different factor levels was performed.A predictive model of chloride ion diffusion in concrete is developed through regression analysis.The experimental results show that when the water/cement ratio varies from 0.45 to 0.60,and the water consumption per cubic meter varies from 185 to 215 kg,and the curing time varies from 30 to 180 d then the size of the effects fall in the order(most significant first): curing time,type of sand,water consumption per cubic meter,and water/cement ratio.Chloride ion penetration is reduced,and better durability of the concrete is observed,with longer curing times,less water consumption per cubic meter,and a smaller water/cement ratio.
基金Project 2006A021 supported by the Science Foundation of China University of Mining & Technology
文摘Graphite antimony composites were prepared using a mechanical pressure infiltration method to force molten antimony into graphite preforms having a percolation micro-structure and a hop-pocket power filler. The micro-structural and macroscopic properties of the graphite antimony composites were analysed. Observations included metallographic analysis, physical properties and friction and wear behaviour. The results show that the wear loss is decreased by 12.24% and that the friction coefficient is re-duced by 32.61% after hop-pocket power was used. The research indicates that the hop-pocket power method gives a useful way to reduce friction coefficients and wear loss, and to increase service life and self-lubrication properties, of the graphite antimony seal-ing material as compared to carbon black.
基金The authors gratefully acknowledge the financial support for this work,provided by the Outstanding Youth Science Foundation of China(No.51322401)the Key Project of Chinese National Programs for Fundamental Research and Development of China(No.2015CB251601)+1 种基金the Science and Technology Project of the Chinese Ministry of Housing and Urban-Rural Construction of China(Nos.2013-K4-22 and 2014-K4-042)the General Program of Chinese National Building Materials Industry Technology Innovation Program of China(Nos.2014-M5-1 and 2014-M5-2)
文摘The microscopic morphology and pore structure characteristics of concrete with composite admixtures(fly ash and mineral powder) after chlorine salt erosion were analyzed via scanning electron microscopy(SEM) and mercury injection porosimetry(MIP), providing the basis for the design and maintenance of concrete shafts in coal mines. The above-mentioned characteristics were compared with the macroscopic characteristic of concrete fractures under uniaxial compression. The results show that the macroscopic fracture characteristics of concrete under uniaxial compression change from longitudinal split fracture and oblique section shear fracture to conjugate cant fracture, and the degree of breakage increases.Interface cracks, cement paste cracks, spherical surface cracks, and aggregate cracks appear in concrete under uniaxial compression. In the early stages of corrosion, the original cracks which are obvious are repaired. When the corrosion becomes more serious, cement paste cracks appear, and the number of harmful holes increases while the number of harmless holes decreases. This study also reveals the relationship between the macroscopic properties and microscopic structure of concrete under chloride salt erosion. Finally, the paper preliminarily discussed the relationship between the macroscopic properties and mesoscopic characteristics of concrete under chlorine salt erosion.
基金supported by the Fundamental Research Funds for the Central Universities (No. 2011QNB05)the National Basic Research Program of China (No. 2007CB209400)+2 种基金the National Natural Science Foundation of China (Nos. 51074166 and 51104128)the Research Project for Ministry of Housing and Urban-Rural Development of China (No. 2011-K3-5)the Innovation Project of Graduate Students in Jiangsu Province (No. CX09B_108Z)
文摘The experimental tests for limestone specimens at 700 °C in uniaxial compression were carried out to inves- tigate the mechanical effects of loading rates on limestone by using a MTS810 rock mechanics servo- controlled testing system considering the loading rate as a variable. The mechanical properties of limestone such as the stress-strain curve, variable characteristics of peak strength and the modulus of elasticity of limestone were studied under the strain rates ranging from 1.1 10à5 to 1.1 10à1 sà1. (1) Sharp decreases were shown for the peak strength and elastic modulus of limestone from 1.1 10à5 to 1.1 10à4 sà1 at 700 °C as well as a downward trend was shown from 1.1 10à4 to 1.1 10à1 sà1 with the rise of the strain rate. (2) The peak strain increased from 1.1 10à5 to 1.1 10à4 sà1, however, there was no obvious changes shown for the peak strain of limestone from 1.1 10à4 to 1.1 10à1 sà1. These results can provide valuable references for the rock blasting effect and design of mine.
基金Projects supported by the National Natural Science Foundation of China(Grant Nos.11347154 and 51172194)the Foundation of Xuzhou Institute of Technology,China(Grant No.XKY2013203)
文摘We theoretically study the structural, electronic, and optical properties of lithium niobate under pressure using the plane-wave pseudopotential density functional theory by CASTEP code. It was found that there is a phase transition from the R3 c structure to the Pnma structure at a pressure of 18.7 GPa. The Pnma structure was dynamically stable according to the calculation of phonon dispersion. From the charge density distributions, there exist covalent interactions along the Nb–O bond. The hybridization between O 2p and Nb 4d orbital in the Pnma phase increases with increasing pressure, while it is not changed in the R3c phase. With increasing pressure, the average Nb–O bond length decreases and the Nb–O bond population increases, indicating the increased covalent character between Nb and O atoms under high pressure at Pnma phase, which leads to the increased hybridization between O 2p and Nb 4d orbitals. Furthermore, the optical dielectric function, refractive index, extinction coefficient, electron energy, loss and reflectivity are calculated.
基金Supported by National Natural Science Foundation of China(31270577)Jiangsu Postdoctoral Sustentation Fund(1302041B)+2 种基金Dual-innovation Doctoral Program of Jiangsu ProvinceOpen Fund of Key Laboratory of Food Resource Development,Quality and Safe of Jiangsu ProvinceScientific Research Project of Xuzhou Institute of Technology(XKY2013108)
文摘In the study, a serine protease gene from Pantoea ananatis was cloned and expressed in prokaryotic cells. The activity of recombinant serine protease was analyzed. The results showed that the recombinant serine protease gene was 1 062 bp, encoding 352 amino acids ; the optimal reaction temperature for recombinant serine protease was 50 ℃, and the optimal pH was 5. 0. The serine protease could be developed into a new tool enzyme in biological engineering and food processing.
基金supported by National Natural Science Foundation of China(No.11375123)the Research Project of Xuzhou Institute of Technology,China(No.XKY2015308)
文摘This paper presents a brief overview of CO2 reforming of CH4 (CRM) by various forms of "arc" plasma, which is more suitable to CRM, and the energy efficiency is used to evaluate different plasma processes specifically. According to the reported results, the arc thermal plasma with binode exhibited better performance. Moreover, the plasma CRM process was compared with the reported plasma steam reforming of CH4 (SRM) process, and the results showed that the former process has advantages on energy efficiency and CH4 consumption. Additionally, it is believed that the plasma CRM process would be competitive with the conventional SRM process in both energy efficiency and CO2 emission once the heat management is emphasized and the renewable power is used. Finally, a concept of plasma reactor for industrial application is proposed.