The activity model of CaO-FeO-SiO_2-MoO_3 quarternary system was establishedaccording to the coexistence theory of slag structure and the reduction thermodynamics of molybdenumoxide was discussed by applying this mode...The activity model of CaO-FeO-SiO_2-MoO_3 quarternary system was establishedaccording to the coexistence theory of slag structure and the reduction thermodynamics of molybdenumoxide was discussed by applying this model. The activities of SiO_2 and MoO_3 decrease, while thatof CaO increases with increasing the basicity of slag. Among SiC, [C] and [Si] reactants, thereducing capability of SiC is the strongest, while that of [C] is the poorest at a high temperature(about 1873 K). It is advantageous to increase the yield of molybdenum by increasing the content of[Si] or [C]. Controlling of basicity of slag can prevent the oxidation loss of molybdenum.展开更多
The activity model of CaO-FeO-SiO2-WO3 quarternary system is built according to the coexistence theory of slag structure and the reduction thermodynamics of scheelite is discussed by using this model. The activities o...The activity model of CaO-FeO-SiO2-WO3 quarternary system is built according to the coexistence theory of slag structure and the reduction thermodynamics of scheelite is discussed by using this model. The activities of SiO2 and WO3 decrease, while the activity of CaO increases with increasing the basicity of slag. Among SiC, carbon and silicon reactants, the reducing capability of SiC is the strongest, while that of carbon is the poorest at high temperature （about 1 873 K）. Increasing the content of silicon or carbon is beneficial for increasing the yield of tungsten. Oxidizability of slag has a significant effect on the yield of tungsten. Controlling basicity and oxidizability of slag can decrease the oxidation loss of tungsten.展开更多
A“water”accelerated metal-free catalytic system has been discovered for the Mukaiyama-aldol reaction.The system involves the use of B(C_(6)F_(5))_(3) as a catalyst,which is water-tolerant and able to activate the ca...A“water”accelerated metal-free catalytic system has been discovered for the Mukaiyama-aldol reaction.The system involves the use of B(C_(6)F_(5))_(3) as a catalyst,which is water-tolerant and able to activate the carbonyl group through a hydrogen bonding network generated by the catalyst.This activation method allows the reactions to be performed with very low catalyst loading,as low as 0.5 mol%.The scope of substrates is broad and a wide variety of functional groups are well tolerated.Diverse aliphatic aldehydes,aromatic aldehydes,unsaturated aldehydes and aromatic ketones coupled with silyl enol ethers/silyl ketone acetals to generate their correspondingβ-hydroxy carbonyl compounds in moderate to good yields.This discovery represents a significant advancement in the field of organic synthesis,as it provides a new,practical and sustainable solution for carbon-carbon bond formation in water.展开更多
A controlled hydroponic experiment was undertaken to investigate Cd uptake in relation to the activity of Cd species in solution other than the free ion （Cd^2＋） by maintaining a constant Cd^2＋ activity under varia...A controlled hydroponic experiment was undertaken to investigate Cd uptake in relation to the activity of Cd species in solution other than the free ion （Cd^2＋） by maintaining a constant Cd^2＋ activity under variable SO4^2- and Cl^- concentrations exposed to maize （Zea mays vat. Cameron） plants. The objectives of these experiments were： （1） to distinguish and quantify the different uptake rates of free and inorganic-complexed Cd from nutrient solution, and （2） to model the uptake of Cd by maize with a Biotic Ligand Model （BLM） in a system which facilitates the close examination of root characteristics. Results of the current experiments suggest that, in addition to the free ion, CdSO4^0 complexes are important factors in determining Cd uptake in nutrient solution by maize plants. Higher nominal SO4^2- concentrations in solution generally resulted in a greater Cd accumulation by maize plants than predicted by the Cd^2＋ activity. A better integration of the complete dataset for the 3 harvest times （6, 9 and 11 days after treatment） was achieved by including consideration of both the duration of Cd exposure and especially the root surface area to express Cd uptake. Similarly, the fit of the BLM was also improved when taking into account exposure time and expressing uptake in terms of root morphological parameters.展开更多
In this paper,the polymer chain of rotator(PCOR) equation of state(EOS) was used together with an EOS/G^E mixing rule(MHV1) and the Wilson's equation as an excess-Gibbs-energy model in the proposed approach to ext...In this paper,the polymer chain of rotator(PCOR) equation of state(EOS) was used together with an EOS/G^E mixing rule(MHV1) and the Wilson's equation as an excess-Gibbs-energy model in the proposed approach to extend the capability and improve the accuracy of the PCOR EOS for predicting the Henry's constant of solutions containing polymers.The results of the proposed method compared with two equation of state(van der Waals and GC-Flory) and three activity coefficient models(UNIFAC,UNIFAC-FV and Entropic-FV) indicated that the PCOR EOS/Wilson's equation provided more accurate results.The interaction parameters of Wilson's equation were fitted with Henry's constant experimental data and the property parameters of PCOR,a and b,were fitted with experimental volume data(Tait equation).As a result,the present work provided a simple and useful model for prediction of Henry's constant for polymer solutions.展开更多
It has been reported that diallyl sulfide (DAS), a sulfur-containing volatile compound in garlic (Allium sativum ), exerts anticarcinogenic activity in various rodent tumor models. In the present study, the antitumor ...It has been reported that diallyl sulfide (DAS), a sulfur-containing volatile compound in garlic (Allium sativum ), exerts anticarcinogenic activity in various rodent tumor models. In the present study, the antitumor property of DAS was tested in Swiss albino mice in the two steqe initiation-promotion mouse skin carcinogenesis. Skin cancers were initiated topically with a single subcarcinOgenic dose (52μg) of 7, 12-dimethyl benz (a) anthracene (DMBA). Promotion was performed by twice weekly applications of 12-O-tetradecanoyl phorbol-13-acetate (TPA) at a dose of 5μg/animal for 32 weeks. DAS was applied topically (250μg/animal) thrice weekly for 3 weeks for anti-initiating and 1 h prior to each promotion treatment for anti-promoting studies. The results showed that the treatment schedule of DAS can effectively delay the onset of tumorigenesis and reduce the cumulative number of tumors and the average number of tumors per mouse. In groups in which DAS applied prior to initiation or promotion, a significant population of the aniinals remained tumor-free till the termination of experiment. These findings suggest that DAS can effectively inhibit chemically induced mouse skincarcinogenesis.展开更多
A new series of benzothiazole Schiff bases 3–29 was synthesized and screened for antitumor activity against cervical cancer（Hela） and kidney fibroblast cancer（COS-7） cell lines. Results indicated that compounds 3...A new series of benzothiazole Schiff bases 3–29 was synthesized and screened for antitumor activity against cervical cancer（Hela） and kidney fibroblast cancer（COS-7） cell lines. Results indicated that compounds 3, 14, 19, 27 and 28 have promising activity against Hela cell line with IC50 values of 2.41,3.06, 6.46, 2.22 and 6.25 mmol/L, respectively, in comparison to doxorubicin as a reference antitumor agent（IC50 2.05 mmol/L）. In addition, compound 3 displayed excellent activity against COS-7 cell line with IC50 value of 4.31 mmol/L in comparison to doxorubicin（IC50 3.04 mmol/L）. In the present work,structure based pharmacophore mapping, molecular docking, protein-ligand interaction, fingerprints and binding energy calculations were employed in a virtual screening strategy to identify the interaction between the compounds and the active site of the putative target, EGFR tyrosine kinase. Molecular properties, toxicity, drug-likeness, and drug score profiles of compounds 3, 14, 19, 27, 28 and 29 were also assessed.展开更多
To confirm sub-regular solution model valid for predicting the activity of component in binary oxide systems, seven systems in the whole concentration and twelve systems presenting saturation concentration have been s...To confirm sub-regular solution model valid for predicting the activity of component in binary oxide systems, seven systems in the whole concentration and twelve systems presenting saturation concentration have been studied. The total average relative errors of component 1 and 2 are 3.2 % and 4.1% respectively by application of the sub-regular solution model into the systems within the whole concentration. However, the total average relative errors are 16 % and 1088 % in the systems presenting saturation concentration. The results show that sub-regular solu- tion model is not good for predicting the systems presenting saturation concentration, especially for the systems con- taining acidic or neutral oxide. The reason may be that the influence of the two types of oxide on the configuration is greater in binary oxide systems. These oxides can be present in the form of complex anion partly, Si-O, Al-O, Ti-O and so on, for example （SiO4）4-. That is contrary to sub-regular solution model which is supposed that the oxide systems consist of cation and O2-. But compared with regular solution model and quasi-regular solution model, sub- regular solution model is closer to the characteristics of actual solution and the calculated results are superior.展开更多
In this study,three semipredictive activity coefficient models:Wilson,non-random-two liquid model(NRTL),and universal quasi-chemical model(UNIQUAC),have been used for modeling vapor-liquid equilibrium properties of te...In this study,three semipredictive activity coefficient models:Wilson,non-random-two liquid model(NRTL),and universal quasi-chemical model(UNIQUAC),have been used for modeling vapor-liquid equilibrium properties of ternary mixtures that include substances found in alcoholic distillation processes of wine and musts.In particular,vapor-liquid equilibrium in ternary mixtures containing water + ethanol + congener has been modeled using parameters obtained from binary and ternary mixture data.The congeners are substances that although present in very low concentrations,of the order of part per million,are important enological parameters.The results given by these different models have been compared with literature data and conclusions about the accuracy of the models studied are drawn,recommending the best models for correlating and predicting phase equilibrium properties of this type of mixtures.展开更多
Improving simulation performance using activity tracking has attracted attention in the modeling field in recent years.The reference to activity has been successfully used to predict and promote the simulation perform...Improving simulation performance using activity tracking has attracted attention in the modeling field in recent years.The reference to activity has been successfully used to predict and promote the simulation performance.Tracking activity,however,uses only the inherent performance information contained in the models.To extend activity prediction in modeling,we propose the activity enhanced modeling with an activity meta-model at the meta-level.The meta-model provides a set of interfaces to model activity in a specific domain.The activity model transformation in subsequence is devised to deal with the simulation difference due to the heterogeneous activity model.Finally,the resource-aware simulation framework is implemented to integrate the activity models in activity-based simulation.The case study shows the improvement brought on by activity-based simulation using discrete event system specification(DEVS).展开更多
The activity of FetO is very important in ironmaking and steelmaking process. In order to predict the activ- ity of Fe, O and optimize the operation conditions in ironmaking and steelmaking process, by application of ...The activity of FetO is very important in ironmaking and steelmaking process. In order to predict the activ- ity of Fe, O and optimize the operation conditions in ironmaking and steelmaking process, by application of regular so lution model in molten slag systems, FeO-Fe2 O3-SIO2 ternary system, FeO-Fe2 O3-SiO2-CaO and FeO-Fe2 O3-SiO2-NiO quaternary systems have been studied by the chemical equilibrium between H2/H20 gas mixture and liquid slag con tained in solid iron. The values of interaction energy between cations concerning steelmaking slags have been deter- mined by application of ferric-ferrous iron equilibrium and iron-ferric iron equilibrium. And then the activity of Fe, O can be calculated. The results show that the relative error is 3.9% in FeO-Fe203-SiO2 system and 18% in FeO- Fe203-SiO2 CaO system. The prediction of activities of FetO in the systems are in good agreement with the measure- ments and the regular solution model is valid for predicting the activity of FetO in complex molten slags systems. The activity of Fe, O in FeO-Fe20a-NiO system have not been tested presently, and the calculated result can not be assessed.展开更多
With the growing demand for the fabrication of microminiaturized components,a comprehensive understanding of material removal behavior during ultra-precision cutting has become increasingly significant.Single-crystal ...With the growing demand for the fabrication of microminiaturized components,a comprehensive understanding of material removal behavior during ultra-precision cutting has become increasingly significant.Single-crystal sapphire stands out as a promising material for microelectronic components,ultra-precision lenses,and semiconductor structures owing to its exceptional characteristics,such as high hardness,chemical stability,and optical properties.This paper focuses on understanding the mechanism responsible for generating anisotropic crack morphologies along various cutting orientations on four crystal planes(C-,R-,A-,and M-planes)of sapphire during ultra-precision orthogonal cutting.By employing a scanning electric microscope to examine the machined surfaces,the crack morphologies can be categorized into three distinct types on the basis of their distinctive features:layered,sculptured,and lateral.To understand the mechanism determining crack morphology,visualized parameters related to the plastic deformation and cleavage fracture parameters are utilized.These parameters provide insight into both the likelihood and direction of plastic deformation and fracture system activations.Analysis of the results shows that the formation of crack morphology is predominantly influenced by the directionality of crystallographic fracture system activation and by the interplay between fracture and plastic deformation system activations.展开更多
For studying the carbon thermal reduction rules of titanium in hot metal and providing a theoretical basis for the blast furnace（BF） hearth protection, the distribution behavior of titanium between low-titanium slag...For studying the carbon thermal reduction rules of titanium in hot metal and providing a theoretical basis for the blast furnace（BF） hearth protection, the distribution behavior of titanium between low-titanium slag system of CaO-SiO2-MgO-Al2O3-TiO2 and hot metal was studied using analytical reagents in a temperature range from 1350 °C to 1600 °C. Through high temperature melting, rapid quenching, chemical analysis and thermodynamic model calculating, the results showed that the increase of reaction temperature, which improved the titanium distribution L（Ti） and lowered the system activity coefficient γsys, leads to the rise of equilibrium constant. Combined with Wagner and congregated electron phase models, the data obtained in distribution experiments were used to fit out the Gibbs free energy formula of titanium carbothermic reduction. Finally, the relations between the contents of Si and Ti in hot metal and the titanium load to reach the minimum w（Ti） for the formation of Ti C were given.展开更多
Active shape models (ASM), consisting of a shape model and a local gray-level appearance model, can be used to locate the objects in images. In original ASM scheme, the model of object′s gray-level variations is base...Active shape models (ASM), consisting of a shape model and a local gray-level appearance model, can be used to locate the objects in images. In original ASM scheme, the model of object′s gray-level variations is based on the assumption of one-dimensional sampling and searching method. In this work a new way to model the gray-level appearance of the objects is explored, using a two-dimensional sampling and searching technique in a rectangular area around each landmark of object shape. The ASM based on this improvement is compared with the original ASM on an identical medical image set for task of spine localization. Experiments demonstrate that the method produces significantly fast, effective, accurate results for spine localization in medical images.展开更多
A novel idea,called the optimal shape subspace （OSS） is first proposed for optimizing active shape model （ASM） search.It is constructed from the principal shape subspace and the principal shape variance subspace.I...A novel idea,called the optimal shape subspace （OSS） is first proposed for optimizing active shape model （ASM） search.It is constructed from the principal shape subspace and the principal shape variance subspace.It allows the reconstructed shape to vary more than that reconstructed in the standard ASM shape space,hence it is more expressive in representing shapes in real life.Then a cost function is developed,based on a study on the search process.An optimal searching method using the feedback information provided by the evaluation cost is proposed to improve the performance of ASM alignment.Experimental results show that the proposed OSS can offer the maximum shape variation with reserving the principal information and a unique local optimal shape is acquired after optimal searching.The combination of OSS and optimal searching can improve the ASM performance greatly.展开更多
A novel framework is established for accurate modeling of Powered Parafoil Unmanned Aerial Vehicle(PPUAV). The model is developed in the following three steps: obtaining a linear dynamic model, simplifying the model s...A novel framework is established for accurate modeling of Powered Parafoil Unmanned Aerial Vehicle(PPUAV). The model is developed in the following three steps: obtaining a linear dynamic model, simplifying the model structure, and estimating the model mismatch due to model variance and external disturbance factors. First, a six degree-of-freedom linear model, or the structured model, is obtained through dynamic establishment and linearization. Second, the data correlation analysis is adopted to determine the criterion for proper model complexity and to simplify the structured model. Next, an active model is established, combining the simplified model with the model mismatch estimator. An adapted Kalman filter is utilized for the real-time estimation of states and model mismatch. We finally derive a linear system model while taking into account of model variance and external disturbance. Actual flight tests verify the effectiveness of our active model in different flight scenarios.展开更多
A novel fault-tolerant adaptive control methodology against the actuator faults is proposed. The actuator effectiveness factors （AEFs） are introduced to denote the healthy of actuator, and the unscented Kalman filt...A novel fault-tolerant adaptive control methodology against the actuator faults is proposed. The actuator effectiveness factors （AEFs） are introduced to denote the healthy of actuator, and the unscented Kalman filter （UKF） is employed for online estimation of both the motion states and the AEFs of mobile robot. A square root version of the UKF is introduced to improve efficiency and numerical stability. Using the information from the UKF, the reconfigurable controller is designed automatically based on an enhancement inverse dynamic control （IDC） methodology. The experiment on a 3-DOF omni-directional mobile robot is performed, and the effectiveness of the proposed method is demonstrated.展开更多
treatability of synthetic sago wastewater was investigated in a laboratory anaerobic tapered fluidized bed reactor （ATFBR） with a mesoporous granular activated carbon （GAC） as a support material. The experimental ...treatability of synthetic sago wastewater was investigated in a laboratory anaerobic tapered fluidized bed reactor （ATFBR） with a mesoporous granular activated carbon （GAC） as a support material. The experimental protocol was defined to examine the effect of the maximum organic loading rate （OLR）, hydraulic retention time （HRT）, the efficiency of the reactor and to report on its steady- state performance. The reactor was subjected to a steady-state operation over a range of OLR up to 85.44 kg COD/（m^3·d）. The COD removal efficiency was found to be 92% in the reactor while the biogas produced in the digester reached 25.38 m^3/（m^3·d） of the reactor. With the increase of OLR from 83.7 kg COD/（m^3·d）, the COD removal efficiency decreased. Also an artificial neural network （ANN） model using multilayer perceptron （MLP） has been developed for a system of two input variable and five output dependent variables. For the training of the input-output data, the experimental values obtained have been used. The output parameters predicted have been found to be much closer to the corresponding experimental ones and the model was validated for 30% of the untrained data. The mean square error （MSE） was found to be only 0.0146.展开更多
The extensive use of antibiotics has led to their presence in the aquatic environment, and introduces potential impacts on human and ecological health. The capability of powdered activated carbon （PAC） to remove six...The extensive use of antibiotics has led to their presence in the aquatic environment, and introduces potential impacts on human and ecological health. The capability of powdered activated carbon （PAC） to remove six frequently used quinolone （QN） antibiotics during water treatment was evaluated to improve drinking water safety. The kinetics of QN adsorption by PAC was best described by a pseudo second-order equation, and the adsorption capacity was well described by the Freundlich isotherm equation. Isotherms measured at different pH showed that hydrophobic interaction, electrostatic interaction, and dispersion force were the main mechanisms for adsorption of QNs by PAC. A pH-dependent isotherm model based on the Freundlich equation was developed to predict the adsorption capacity of QNs by PAC at different pH values. This model had excellent prediction capabilities under different laboratory scenarios. Small relative standard derivations （RSDs）, i.e., 0.59%-0.92% for ciprofloxacin and 0.09%-3.89% for enrofloxacin, were observed for equilibrium concentrations above the 0.3 mg/L level. The RSDs increased to 11.9% for ciprofloxacin and 32.1% for enrofloxacin at μg/L equilibrium levels, which is still acceptable. This model could be applied to predict the adsorption of other chemicals having different ionized forms.展开更多
Modeling of rough surfaces with given roughness parameters is studied,where surfaces with Gaussian height distribution and exponential auto-correlation function(ACF) are concerned.A large number of micro topography sa...Modeling of rough surfaces with given roughness parameters is studied,where surfaces with Gaussian height distribution and exponential auto-correlation function(ACF) are concerned.A large number of micro topography samples are randomly generated first using the rough surface simulation method with FFT.Then roughness parameters of the simulated roughness profiles are calculated according to parameter definition,and the relationship between roughness parameters and statistical distribution parameters is investigated.The effects of high-pass filtering with different cut-off lengths on the relationship are analyzed.Subsequently,computing formulae of roughness parameters based on standard deviation and correlation length are constructed with mathematical regression method.The constructed formulae are tested with measured data of actual topographies,and the influences of auto-correlation variations at different lag lengths on the change of roughness parameter are discussed.The constructed computing formulae provide an approach to active modeling of rough surfaces with given roughness parameters.展开更多
文摘The activity model of CaO-FeO-SiO_2-MoO_3 quarternary system was establishedaccording to the coexistence theory of slag structure and the reduction thermodynamics of molybdenumoxide was discussed by applying this model. The activities of SiO_2 and MoO_3 decrease, while thatof CaO increases with increasing the basicity of slag. Among SiC, [C] and [Si] reactants, thereducing capability of SiC is the strongest, while that of [C] is the poorest at a high temperature(about 1873 K). It is advantageous to increase the yield of molybdenum by increasing the content of[Si] or [C]. Controlling of basicity of slag can prevent the oxidation loss of molybdenum.
基金Item Sponsored by National Science and Technology Support Program for 11th Five-Year Plan of China(2006BAE03A12,2006BAE03A05)
文摘The activity model of CaO-FeO-SiO2-WO3 quarternary system is built according to the coexistence theory of slag structure and the reduction thermodynamics of scheelite is discussed by using this model. The activities of SiO2 and WO3 decrease, while the activity of CaO increases with increasing the basicity of slag. Among SiC, carbon and silicon reactants, the reducing capability of SiC is the strongest, while that of carbon is the poorest at high temperature （about 1 873 K）. Increasing the content of silicon or carbon is beneficial for increasing the yield of tungsten. Oxidizability of slag has a significant effect on the yield of tungsten. Controlling basicity and oxidizability of slag can decrease the oxidation loss of tungsten.
基金financial support from the Start-up Grant of Nanjing Tech University(Nos.38274017103,38037037)financial support from Distinguished University Professor grant(Nanyang Technological University)+1 种基金the Agency for Science,Technology and Research(A∗STAR)under its MTC Individual Research Grants(No.M21K2c0114)RIE2025 MTC Programmatic Fund(No.M22K9b0049).
文摘A“water”accelerated metal-free catalytic system has been discovered for the Mukaiyama-aldol reaction.The system involves the use of B(C_(6)F_(5))_(3) as a catalyst,which is water-tolerant and able to activate the carbonyl group through a hydrogen bonding network generated by the catalyst.This activation method allows the reactions to be performed with very low catalyst loading,as low as 0.5 mol%.The scope of substrates is broad and a wide variety of functional groups are well tolerated.Diverse aliphatic aldehydes,aromatic aldehydes,unsaturated aldehydes and aromatic ketones coupled with silyl enol ethers/silyl ketone acetals to generate their correspondingβ-hydroxy carbonyl compounds in moderate to good yields.This discovery represents a significant advancement in the field of organic synthesis,as it provides a new,practical and sustainable solution for carbon-carbon bond formation in water.
基金supported by the Severn Trent Water Ltd. as co-funders of the Biorem 11 (PASS) Project under the Bioremediation Link Programme (UK BBSRC)the financia support from CONACYT,Mexico (No. 137972)
文摘A controlled hydroponic experiment was undertaken to investigate Cd uptake in relation to the activity of Cd species in solution other than the free ion （Cd^2＋） by maintaining a constant Cd^2＋ activity under variable SO4^2- and Cl^- concentrations exposed to maize （Zea mays vat. Cameron） plants. The objectives of these experiments were： （1） to distinguish and quantify the different uptake rates of free and inorganic-complexed Cd from nutrient solution, and （2） to model the uptake of Cd by maize with a Biotic Ligand Model （BLM） in a system which facilitates the close examination of root characteristics. Results of the current experiments suggest that, in addition to the free ion, CdSO4^0 complexes are important factors in determining Cd uptake in nutrient solution by maize plants. Higher nominal SO4^2- concentrations in solution generally resulted in a greater Cd accumulation by maize plants than predicted by the Cd^2＋ activity. A better integration of the complete dataset for the 3 harvest times （6, 9 and 11 days after treatment） was achieved by including consideration of both the duration of Cd exposure and especially the root surface area to express Cd uptake. Similarly, the fit of the BLM was also improved when taking into account exposure time and expressing uptake in terms of root morphological parameters.
基金financial support provided by Islamic Azad University of Mahshahr Branch,Iran
文摘In this paper,the polymer chain of rotator(PCOR) equation of state(EOS) was used together with an EOS/G^E mixing rule(MHV1) and the Wilson's equation as an excess-Gibbs-energy model in the proposed approach to extend the capability and improve the accuracy of the PCOR EOS for predicting the Henry's constant of solutions containing polymers.The results of the proposed method compared with two equation of state(van der Waals and GC-Flory) and three activity coefficient models(UNIFAC,UNIFAC-FV and Entropic-FV) indicated that the PCOR EOS/Wilson's equation provided more accurate results.The interaction parameters of Wilson's equation were fitted with Henry's constant experimental data and the property parameters of PCOR,a and b,were fitted with experimental volume data(Tait equation).As a result,the present work provided a simple and useful model for prediction of Henry's constant for polymer solutions.
文摘It has been reported that diallyl sulfide (DAS), a sulfur-containing volatile compound in garlic (Allium sativum ), exerts anticarcinogenic activity in various rodent tumor models. In the present study, the antitumor property of DAS was tested in Swiss albino mice in the two steqe initiation-promotion mouse skin carcinogenesis. Skin cancers were initiated topically with a single subcarcinOgenic dose (52μg) of 7, 12-dimethyl benz (a) anthracene (DMBA). Promotion was performed by twice weekly applications of 12-O-tetradecanoyl phorbol-13-acetate (TPA) at a dose of 5μg/animal for 32 weeks. DAS was applied topically (250μg/animal) thrice weekly for 3 weeks for anti-initiating and 1 h prior to each promotion treatment for anti-promoting studies. The results showed that the treatment schedule of DAS can effectively delay the onset of tumorigenesis and reduce the cumulative number of tumors and the average number of tumors per mouse. In groups in which DAS applied prior to initiation or promotion, a significant population of the aniinals remained tumor-free till the termination of experiment. These findings suggest that DAS can effectively inhibit chemically induced mouse skincarcinogenesis.
文摘A new series of benzothiazole Schiff bases 3–29 was synthesized and screened for antitumor activity against cervical cancer（Hela） and kidney fibroblast cancer（COS-7） cell lines. Results indicated that compounds 3, 14, 19, 27 and 28 have promising activity against Hela cell line with IC50 values of 2.41,3.06, 6.46, 2.22 and 6.25 mmol/L, respectively, in comparison to doxorubicin as a reference antitumor agent（IC50 2.05 mmol/L）. In addition, compound 3 displayed excellent activity against COS-7 cell line with IC50 value of 4.31 mmol/L in comparison to doxorubicin（IC50 3.04 mmol/L）. In the present work,structure based pharmacophore mapping, molecular docking, protein-ligand interaction, fingerprints and binding energy calculations were employed in a virtual screening strategy to identify the interaction between the compounds and the active site of the putative target, EGFR tyrosine kinase. Molecular properties, toxicity, drug-likeness, and drug score profiles of compounds 3, 14, 19, 27, 28 and 29 were also assessed.
基金Item Sponsored by National Natural Science Foundation of China(50764006,50574045)Yunnan Basic Applied Research Foundation of China(2006E0021M)
文摘To confirm sub-regular solution model valid for predicting the activity of component in binary oxide systems, seven systems in the whole concentration and twelve systems presenting saturation concentration have been studied. The total average relative errors of component 1 and 2 are 3.2 % and 4.1% respectively by application of the sub-regular solution model into the systems within the whole concentration. However, the total average relative errors are 16 % and 1088 % in the systems presenting saturation concentration. The results show that sub-regular solu- tion model is not good for predicting the systems presenting saturation concentration, especially for the systems con- taining acidic or neutral oxide. The reason may be that the influence of the two types of oxide on the configuration is greater in binary oxide systems. These oxides can be present in the form of complex anion partly, Si-O, Al-O, Ti-O and so on, for example （SiO4）4-. That is contrary to sub-regular solution model which is supposed that the oxide systems consist of cation and O2-. But compared with regular solution model and quasi-regular solution model, sub- regular solution model is closer to the characteristics of actual solution and the calculated results are superior.
基金Supported by the Direction of Research of the University of La Serena-Chile (220-2-05 and 220-2-21)the National Council for Scientific and Technological Research,CONICYT (FONDECYT 3020020)
文摘In this study,three semipredictive activity coefficient models:Wilson,non-random-two liquid model(NRTL),and universal quasi-chemical model(UNIQUAC),have been used for modeling vapor-liquid equilibrium properties of ternary mixtures that include substances found in alcoholic distillation processes of wine and musts.In particular,vapor-liquid equilibrium in ternary mixtures containing water + ethanol + congener has been modeled using parameters obtained from binary and ternary mixture data.The congeners are substances that although present in very low concentrations,of the order of part per million,are important enological parameters.The results given by these different models have been compared with literature data and conclusions about the accuracy of the models studied are drawn,recommending the best models for correlating and predicting phase equilibrium properties of this type of mixtures.
基金Project supported by the National Natural Science Foundation of China(Nos.71303252 and 91024030)
文摘Improving simulation performance using activity tracking has attracted attention in the modeling field in recent years.The reference to activity has been successfully used to predict and promote the simulation performance.Tracking activity,however,uses only the inherent performance information contained in the models.To extend activity prediction in modeling,we propose the activity enhanced modeling with an activity meta-model at the meta-level.The meta-model provides a set of interfaces to model activity in a specific domain.The activity model transformation in subsequence is devised to deal with the simulation difference due to the heterogeneous activity model.Finally,the resource-aware simulation framework is implemented to integrate the activity models in activity-based simulation.The case study shows the improvement brought on by activity-based simulation using discrete event system specification(DEVS).
基金Sponsored by National Natural Science Foundation of China (50764006,50574045)Yunnan Basic Applied Research Foundation of China (2006E0021M)
文摘The activity of FetO is very important in ironmaking and steelmaking process. In order to predict the activ- ity of Fe, O and optimize the operation conditions in ironmaking and steelmaking process, by application of regular so lution model in molten slag systems, FeO-Fe2 O3-SIO2 ternary system, FeO-Fe2 O3-SiO2-CaO and FeO-Fe2 O3-SiO2-NiO quaternary systems have been studied by the chemical equilibrium between H2/H20 gas mixture and liquid slag con tained in solid iron. The values of interaction energy between cations concerning steelmaking slags have been deter- mined by application of ferric-ferrous iron equilibrium and iron-ferric iron equilibrium. And then the activity of Fe, O can be calculated. The results show that the relative error is 3.9% in FeO-Fe203-SiO2 system and 18% in FeO- Fe203-SiO2 CaO system. The prediction of activities of FetO in the systems are in good agreement with the measure- ments and the regular solution model is valid for predicting the activity of FetO in complex molten slags systems. The activity of Fe, O in FeO-Fe20a-NiO system have not been tested presently, and the calculated result can not be assessed.
基金supported by the National Science Foundation under Grant No.CMMI-1844821supported by the NSF through the University of Wisconsin Materials Research Science Center(Grant No.DMR-1720415).
文摘With the growing demand for the fabrication of microminiaturized components,a comprehensive understanding of material removal behavior during ultra-precision cutting has become increasingly significant.Single-crystal sapphire stands out as a promising material for microelectronic components,ultra-precision lenses,and semiconductor structures owing to its exceptional characteristics,such as high hardness,chemical stability,and optical properties.This paper focuses on understanding the mechanism responsible for generating anisotropic crack morphologies along various cutting orientations on four crystal planes(C-,R-,A-,and M-planes)of sapphire during ultra-precision orthogonal cutting.By employing a scanning electric microscope to examine the machined surfaces,the crack morphologies can be categorized into three distinct types on the basis of their distinctive features:layered,sculptured,and lateral.To understand the mechanism determining crack morphology,visualized parameters related to the plastic deformation and cleavage fracture parameters are utilized.These parameters provide insight into both the likelihood and direction of plastic deformation and fracture system activations.Analysis of the results shows that the formation of crack morphology is predominantly influenced by the directionality of crystallographic fracture system activation and by the interplay between fracture and plastic deformation system activations.
基金Project(2012CB720401)supported by the National Basic Research Program of ChinaProject(2011BAC01B02)supported by the National Key Technology R&D Program of China
文摘For studying the carbon thermal reduction rules of titanium in hot metal and providing a theoretical basis for the blast furnace（BF） hearth protection, the distribution behavior of titanium between low-titanium slag system of CaO-SiO2-MgO-Al2O3-TiO2 and hot metal was studied using analytical reagents in a temperature range from 1350 °C to 1600 °C. Through high temperature melting, rapid quenching, chemical analysis and thermodynamic model calculating, the results showed that the increase of reaction temperature, which improved the titanium distribution L（Ti） and lowered the system activity coefficient γsys, leads to the rise of equilibrium constant. Combined with Wagner and congregated electron phase models, the data obtained in distribution experiments were used to fit out the Gibbs free energy formula of titanium carbothermic reduction. Finally, the relations between the contents of Si and Ti in hot metal and the titanium load to reach the minimum w（Ti） for the formation of Ti C were given.
文摘Active shape models (ASM), consisting of a shape model and a local gray-level appearance model, can be used to locate the objects in images. In original ASM scheme, the model of object′s gray-level variations is based on the assumption of one-dimensional sampling and searching method. In this work a new way to model the gray-level appearance of the objects is explored, using a two-dimensional sampling and searching technique in a rectangular area around each landmark of object shape. The ASM based on this improvement is compared with the original ASM on an identical medical image set for task of spine localization. Experiments demonstrate that the method produces significantly fast, effective, accurate results for spine localization in medical images.
基金21st Century Education Revitalization Project (No.301703201).
文摘A novel idea,called the optimal shape subspace （OSS） is first proposed for optimizing active shape model （ASM） search.It is constructed from the principal shape subspace and the principal shape variance subspace.It allows the reconstructed shape to vary more than that reconstructed in the standard ASM shape space,hence it is more expressive in representing shapes in real life.Then a cost function is developed,based on a study on the search process.An optimal searching method using the feedback information provided by the evaluation cost is proposed to improve the performance of ASM alignment.Experimental results show that the proposed OSS can offer the maximum shape variation with reserving the principal information and a unique local optimal shape is acquired after optimal searching.The combination of OSS and optimal searching can improve the ASM performance greatly.
基金co-supported by the National Nature Sciences Foundation of China (Nos. 61503369 and 61528303)the State Key Laboratory of Roboticsthe Chinese National Key Technology R&D Program (No. Y4A12081010)
文摘A novel framework is established for accurate modeling of Powered Parafoil Unmanned Aerial Vehicle(PPUAV). The model is developed in the following three steps: obtaining a linear dynamic model, simplifying the model structure, and estimating the model mismatch due to model variance and external disturbance factors. First, a six degree-of-freedom linear model, or the structured model, is obtained through dynamic establishment and linearization. Second, the data correlation analysis is adopted to determine the criterion for proper model complexity and to simplify the structured model. Next, an active model is established, combining the simplified model with the model mismatch estimator. An adapted Kalman filter is utilized for the real-time estimation of states and model mismatch. We finally derive a linear system model while taking into account of model variance and external disturbance. Actual flight tests verify the effectiveness of our active model in different flight scenarios.
基金This project is supported by National Hi-tech Research and Development Program of China (863 Program, No. 2003AA421020).
文摘A novel fault-tolerant adaptive control methodology against the actuator faults is proposed. The actuator effectiveness factors （AEFs） are introduced to denote the healthy of actuator, and the unscented Kalman filter （UKF） is employed for online estimation of both the motion states and the AEFs of mobile robot. A square root version of the UKF is introduced to improve efficiency and numerical stability. Using the information from the UKF, the reconfigurable controller is designed automatically based on an enhancement inverse dynamic control （IDC） methodology. The experiment on a 3-DOF omni-directional mobile robot is performed, and the effectiveness of the proposed method is demonstrated.
文摘treatability of synthetic sago wastewater was investigated in a laboratory anaerobic tapered fluidized bed reactor （ATFBR） with a mesoporous granular activated carbon （GAC） as a support material. The experimental protocol was defined to examine the effect of the maximum organic loading rate （OLR）, hydraulic retention time （HRT）, the efficiency of the reactor and to report on its steady- state performance. The reactor was subjected to a steady-state operation over a range of OLR up to 85.44 kg COD/（m^3·d）. The COD removal efficiency was found to be 92% in the reactor while the biogas produced in the digester reached 25.38 m^3/（m^3·d） of the reactor. With the increase of OLR from 83.7 kg COD/（m^3·d）, the COD removal efficiency decreased. Also an artificial neural network （ANN） model using multilayer perceptron （MLP） has been developed for a system of two input variable and five output dependent variables. For the training of the input-output data, the experimental values obtained have been used. The output parameters predicted have been found to be much closer to the corresponding experimental ones and the model was validated for 30% of the untrained data. The mean square error （MSE） was found to be only 0.0146.
基金supported by the National Natural Science Foundation of China(Nos.51290284,and 21477059)the Tsinghua University Initiative Scientific Research Program(No.20131089247)the National Water Major Project(No.2015ZX07 402-002)
文摘The extensive use of antibiotics has led to their presence in the aquatic environment, and introduces potential impacts on human and ecological health. The capability of powdered activated carbon （PAC） to remove six frequently used quinolone （QN） antibiotics during water treatment was evaluated to improve drinking water safety. The kinetics of QN adsorption by PAC was best described by a pseudo second-order equation, and the adsorption capacity was well described by the Freundlich isotherm equation. Isotherms measured at different pH showed that hydrophobic interaction, electrostatic interaction, and dispersion force were the main mechanisms for adsorption of QNs by PAC. A pH-dependent isotherm model based on the Freundlich equation was developed to predict the adsorption capacity of QNs by PAC at different pH values. This model had excellent prediction capabilities under different laboratory scenarios. Small relative standard derivations （RSDs）, i.e., 0.59%-0.92% for ciprofloxacin and 0.09%-3.89% for enrofloxacin, were observed for equilibrium concentrations above the 0.3 mg/L level. The RSDs increased to 11.9% for ciprofloxacin and 32.1% for enrofloxacin at μg/L equilibrium levels, which is still acceptable. This model could be applied to predict the adsorption of other chemicals having different ionized forms.
基金Projects(51535012,U1604255)supported by the National Natural Science Foundation of ChinaProject(2016JC2001)supported by the Key Research and Development Project of Hunan Province,China
文摘Modeling of rough surfaces with given roughness parameters is studied,where surfaces with Gaussian height distribution and exponential auto-correlation function(ACF) are concerned.A large number of micro topography samples are randomly generated first using the rough surface simulation method with FFT.Then roughness parameters of the simulated roughness profiles are calculated according to parameter definition,and the relationship between roughness parameters and statistical distribution parameters is investigated.The effects of high-pass filtering with different cut-off lengths on the relationship are analyzed.Subsequently,computing formulae of roughness parameters based on standard deviation and correlation length are constructed with mathematical regression method.The constructed formulae are tested with measured data of actual topographies,and the influences of auto-correlation variations at different lag lengths on the change of roughness parameter are discussed.The constructed computing formulae provide an approach to active modeling of rough surfaces with given roughness parameters.
