This paper proposes a new nonconforming finite difference streamline diffusion method to solve incompressible time-dependent Navier-Stokes equations with a high Reynolds number. The backwards difference in time and th...This paper proposes a new nonconforming finite difference streamline diffusion method to solve incompressible time-dependent Navier-Stokes equations with a high Reynolds number. The backwards difference in time and the Crouzeix-Raviart （CR） element combined with the P0 element in space are used. The result shows that this scheme has good stabilities and error estimates independent of the viscosity coefficient.展开更多
The nanoparticles of polylactide (PLA) and poly(lactide-co-glycolide) (PLGA) were prepared by the bi-nary organic solvent diffusion method. The yield, particle size and size distribution of these nanoparticles wereeva...The nanoparticles of polylactide (PLA) and poly(lactide-co-glycolide) (PLGA) were prepared by the bi-nary organic solvent diffusion method. The yield, particle size and size distribution of these nanoparticles wereevaluated. The yield of nanoparticles prepared by this method is over 90%, and the average size of the nanoparticlesis between 130-180 nm. In order to clarify the effect of the organic solvent used in the system on nanoparticle yieldand size, the cloud points of PLA and PLGA were examined by cloud point titration. The results indicate that theyields of nanoparticles increase with the increase of ethanol in the acetone solution and attain the maximum at thecloud point of ethanol, while the size of nanoparticles decreases with the increase of ethanol in the acetone solutionand attains the minimum at the cloud point of ethanol. The optimal composition ratio of binary organic solvents coin-cides to that near the cloud point and the optimal condition of binary organic solvents can be predicted.展开更多
A nonconforming finite element method of finite difference streamline diffusion type is proposed to solve the time-dependent linearized Navier-Stokes equations. The backward Euler scheme is used for time discretizatio...A nonconforming finite element method of finite difference streamline diffusion type is proposed to solve the time-dependent linearized Navier-Stokes equations. The backward Euler scheme is used for time discretization. Crouzeix-Raviart nonconforming finite element approximation, namely, nonconforming （P1）2 - P0 element, is used for the velocity and pressure fields with the streamline diffusion technique to cope with usual instabilities caused by the convection and time terms. Stability and error estimates are derived with suitable norms.展开更多
This paper aims to present a new streamline diffusion method with low order rectangular Bernardi-Raugel elements to solve the generalized Oseen equations. With the help of the Bramble-Hilbert lemma, the optimal errors...This paper aims to present a new streamline diffusion method with low order rectangular Bernardi-Raugel elements to solve the generalized Oseen equations. With the help of the Bramble-Hilbert lemma, the optimal errors of the velocity and pressure are estimated, which are independent of the considered parameter e. With an interpolation postprocessing approach, the superconvergent error of the pressure is obtained. Finally, a numerical experiment is carried out to confirm the theoretical results.展开更多
The formation mechanism of calcium vanadate and manganese vanadate and the difference between calcium and manganese in the reaction with vanadium are basic issues in the calcification roasting and manganese roasting p...The formation mechanism of calcium vanadate and manganese vanadate and the difference between calcium and manganese in the reaction with vanadium are basic issues in the calcification roasting and manganese roasting process with vanadium slag.In this work,CaO–V_(2)O_(5) and MnO_(2)–V_(2)O_(5) diffusion couples were prepared and roasted for different time periods to illustrate and compare the diffusion reaction mechanisms.Then,the changes in the diffusion product and diffusion coefficient were investigated and calculated based on scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDS) analysis.Results show that with the extension of the roasting time,the diffusion reaction gradually proceeds among the CaO–V_(2)O_(5) and MnO_(2)–V_(2)O_(5) diffusion couples.The regional boundaries of calcium and vanadium are easily identifiable for the CaO–V_(2)O_(5) diffusion couple.Meanwhile,for the MnO_(2)–V_(2)O_(5) diffusion couple,MnO_(2) gradually decomposes to form Mn_(2)O_(3),and vanadium diffuses into the interior of Mn_(2)O_(3).Only a part of vanadium combines with manganese to form the diffusion production layer.CaV_(2)O_(6) and MnV_(2)O_(6) are the interfacial reaction products of the CaO–V_(2)O_(5) and MnO_(2)–V_(2)O_(5) diffusion couples,respectively,whose thicknesses are 39.85 and 32.13μm when roasted for 16 h.After 16 h,both diffusion couples reach the reaction equilibrium due to the limitation of diffusion.The diffusion coefficient of the CaO–V_(2)O_(5) diffusion couple is higher than that of the MnO_(2)–V_(2)O_(5) diffusion couple for the same roasting time,and the diffusion reaction between vanadium and calcium is easier than that between vanadium and manganese.展开更多
The low diffusion （LD） particle method, proposed by Burt and Boyd, is modified for the near-continuum two-phase flow simulations. The LD method has the advantages of easily coupling with the direct simulation Monte ...The low diffusion （LD） particle method, proposed by Burt and Boyd, is modified for the near-continuum two-phase flow simulations. The LD method has the advantages of easily coupling with the direct simulation Monte Carlo （DSMC） method for multi-scale flow simulations and dramatically reducing the numerical diffusion error and statistical scatter of the equilibrium particle methods. Liquidor solid-phase particles are introduced in the LD method. Their velocity and temperature updating are respectively, calculated from the motion equation and the temperature equation according to the local gas properties. Coupling effects from condensed phase to gas phase are modeled as momentum and energy sources, which are respectively, equal to the negative values of the total momentum and energy increase in liquid or solid phase. The modified method is compared with theoretical results for unsteady flows, and good agreements are obtained to indicate the reliability of the one-way gas-to-particle coupling models. Hybrid LD-DSMC algorithm is implemented and performed for nozzle discharging gas-liquid flow to show the prospect of the LD-DSMC scheme for multi-scale two-phase flow simulations.展开更多
In this paper,we investigate a streamline diffusion finite element approxi- mation scheme for the constrained optimal control problem governed by linear con- vection dominated diffusion equations.We prove the existenc...In this paper,we investigate a streamline diffusion finite element approxi- mation scheme for the constrained optimal control problem governed by linear con- vection dominated diffusion equations.We prove the existence and uniqueness of the discretized scheme.Then a priori and a posteriori error estimates are derived for the state,the co-state and the control.Three numerical examples are presented to illustrate our theoretical results.展开更多
This paper is devoted to studying the superconvergence of streamline diffusion finite element methods for convection-diffusion problems. In [8], under the condition that ε ≤ h^2 the optimal finite element error esti...This paper is devoted to studying the superconvergence of streamline diffusion finite element methods for convection-diffusion problems. In [8], under the condition that ε ≤ h^2 the optimal finite element error estimate was obtained in L^2-norm. In the present paper, however, the same error estimate result is gained under the weaker condition that ε≤h.展开更多
This paper examines the numerical solution of the convection-diffusion equation in 2-D. The solution of this equation possesses singularities in the form of boundary or interior layers due to non-smooth boundary condi...This paper examines the numerical solution of the convection-diffusion equation in 2-D. The solution of this equation possesses singularities in the form of boundary or interior layers due to non-smooth boundary conditions. To overcome such singularities arising from these critical regions, the adaptive finite element method is employed. This scheme is based on the streamline diffusion method combined with Neumann-type posteriori estimator. The effectiveness of this approach is illustrated by different examples with several numerical experiments.展开更多
In this paper we make a close study of the finite analytic method by means of the maximum principles in differential equations and give the proof of the stability and convergence of the finite analytic method.
In recent years, there has been a growing interest in researching and developing new antimicrobial agents from various sources to combat microbial resistance. Therefore, a greater attention has been paid to antimicrob...In recent years, there has been a growing interest in researching and developing new antimicrobial agents from various sources to combat microbial resistance. Therefore, a greater attention has been paid to antimicrobial activity screening and evaluating methods. Several bioassays such as disk-diffusion, well diffusion and broth or agar dilution are well known and commonly used, but others such as flow cy- tofluorometric and bioluminescent methods are not widely used because they require specified equip- ment and further evaluation for reproducibility and standardization, even if they can provide rapid re- sults of the antimicrobial agent＇s effects and a better understanding of their impact on the viability and cell damage inflicted to the tested microorganism. In this review article, an exhaustive list of in vitro antimicrobial susceptibility testing methods and detailed information on their advantages and limita- tions are reported.展开更多
A posteriori error estimate of the discontinuous-streamline diffusion method for first-order hyperbolic equations was presented, which can be used to adjust space mesh reasonably. A numerical example is given to illus...A posteriori error estimate of the discontinuous-streamline diffusion method for first-order hyperbolic equations was presented, which can be used to adjust space mesh reasonably. A numerical example is given to illustrate the accuracy and feasibility of this method.展开更多
Nonlinear optical crystals of L-Arginine maleate dihydrate were grown from liquid diffusion method. The lattice parameters of the crystal were identified using single crystal and powder crystal X-ray diffraction analy...Nonlinear optical crystals of L-Arginine maleate dihydrate were grown from liquid diffusion method. The lattice parameters of the crystal were identified using single crystal and powder crystal X-ray diffraction analyses. Fourier transform infrared spectroscopy and Fourier transform Raman spectroscopy were made to study the vibrational functional groups in the grown crystal. Optical absorption and transmission ranges were measured from UV-VIS-NIR spectrum. The molecular structure of the crystal is established through <sup>1</sup>H-NMR and <sup>13</sup>C-NMR studies. Thermal stabilities and decomposition of the grown crystal were studied from TG/DTA and DSC analyses. Nonlinear optical property of the crystal was determined by Kurtz and Perry powder technique.展开更多
On basis of bond dissociation energies （BDEs） for BH2, B（OH）2, BCl2, and BCl, the diffusion Monte Carlo （DMC） method is applied to explore the BDEs of HB-H, HOB-OH, ClB-Cl, and B-Cl. The effect of the choice of ...On basis of bond dissociation energies （BDEs） for BH2, B（OH）2, BCl2, and BCl, the diffusion Monte Carlo （DMC） method is applied to explore the BDEs of HB-H, HOB-OH, ClB-Cl, and B-Cl. The effect of the choice of orbitals, as well as the backflow transformation, is studied. The Slater-Jastrow DMC algorithm gives BDEs of 359.1±0.12 kJ/mol for HB-H, 410.5±0.50 kJ/mol for HOB-OH, 357.8±1.46 kJ/mol for ClB-Cl, and 504.5±0.96 kJ/mol for B-Cl using B3PW91 orbitals and similar BDEs when B3LYP orbitals are used. DMC with backflow corrections （BF-DMC） gives a HB-H BDE of 369.9±0.12 kJ/mol which is close to one of the available experimental value （375.8 kJ/mol）. In the case of HOB-OH BDE, the BF-DMC calculation is 446.04-1.84 k J/mol that is closer to the experimental BDE. The BF-DMC BDE for ClB-Cl is 343.2±2.34 kJ/mol and the BF-DMC B-Cl BDE is 523.3±0.33 kJ/mol, which are close to the experimental BDEs, 341.9 and 530.0 kJ/mol, respectively.展开更多
Triplet-triplet energy transfer in fluorene dimer with electronic structure calculations. The two is investigated by combining rate theories key parameters for the control of energy transfer, electronic coupling and r...Triplet-triplet energy transfer in fluorene dimer with electronic structure calculations. The two is investigated by combining rate theories key parameters for the control of energy transfer, electronic coupling and reorganization energy, are calculated based on the diabatic states constructed by the constrained density functional theory. The fluctuation of the electronic coupling is further revealed by molecular dynamics simulation. Succeedingly, the diagonal and off-diagonal fluctuations of the Hamiltonian are mapped from the correlation functions of those parameters, and the rate is then estimated both from the perturbation theory and wavepacket diffusion method. The results manifest that both the static and dynamic fluctuations enhance the rate significantly, but the rate from the dynamic fluctuation is smaller than that from the static fluctuation.展开更多
The purpose of this study was to isolate and characterize endophytic fungi from the stem tissue which can produce fragrant ingredients in Aquilaria sinensis(also called agarwood) to determine their antitumor and antim...The purpose of this study was to isolate and characterize endophytic fungi from the stem tissue which can produce fragrant ingredients in Aquilaria sinensis(also called agarwood) to determine their antitumor and antimicrobial activities.Twenty-eight fungal endophytes were isolated from agarwood by strict sterile sample preparation and were classified into 14 genera and 4 taxonomic classes(Sordariomycetes,Dothideomycetes,Saccharomycetes,and Zy-gomycetes) based on molecular identification.Of the 28 isolates,13(46.4%) showed antimicrobial activity against at least one of the test strains by the agar well diffusion method,and 23 isolates(82.1%) displayed antitumor activity against at least one of five cancer cell lines by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide(MTT) assay.The diameters of inhibition zones of YNAS07,YNAS14,HNAS04,HNAS05,HNAS08,and HNAS11 were equal to or higher than 14.0 mm against Staphylococcus aureus,Escherichia coli,Bacillus subtilis,B.subtilis,Aspergillus fumigatus,and B.subtilis,respectively.The inhibition rates of YNAS06,YNAS08,and HNAS06 were not less than 60% to 293-T,293-T,and SKVO3 cells,respectively.These results suggest that the endophytic fungi associated with agarwood will provide us with not only useful micro-ecological information,but also potential antimicrobial and anti-tumor agents.展开更多
The aim of this study was to prepare arsenic trioxide （ATO）-loaded stealth PEGylated PLGA nanoparticles （PEG-PLGA-NPs） and to assess the merits of PEG-PLGA-NPs as drug carriers for ATO delivery. PEG-PLGA copolymer...The aim of this study was to prepare arsenic trioxide （ATO）-loaded stealth PEGylated PLGA nanoparticles （PEG-PLGA-NPs） and to assess the merits of PEG-PLGA-NPs as drug carriers for ATO delivery. PEG-PLGA copolymer was synthesized with methoxypolyethyleneglycol （Mw=5000）, D, L-lactide, and glycolide by the ring-opening polymerization method. Amorphous ATO was transformed into cubic crystal form to increase its solu-bility in the organic solvent. ATO-loaded PEG-PLGA-NPs were prepared by the modified spontaneous emulsification solvent diffusion （SESD） method, and the main experimental factors influencing the characteristics of nanopar- ticles were investigated, to optimize the preparation. To confirm the escape of PEG-PLGA-NPs from phagocytosis by phagocytes, PEG-PLGA-NPs labeled rhodamine B uptake by murine peritoneal macrophages （MPM） were analyzed by flow cytometry. The results showed that the physicochemical characteristics of PEG-PLGA-NPs were affected by the type and concentration of the emulsifiers, polymer concentration, and drug concentration. ATO-loaded PEG-PLGA-NPs, with particle size of 120.8nm, zeta potential of-10.73mV, encapsulation efficiency of 73.6%, and drug loading of 1.36%, were prepared under optimal conditions. The images of transmission electron micros-copy （TEM） indicated that the optimized nanoparticles were near spherical and without aggregation or adhesion. The release experiments in vitro showed the ATO release from PEG-PLGA-NPs exhibited consequently sustained release for more than 26d, which was in accordance with Higuchi equation. The uptake of PEG-PLGA-NPs by MPM was found to decrease markedly compared to PLGA-NPs. The experimental results showed that PEG-PLGA-NPs were potential nano drug delivery carriers for ATO.展开更多
A funnel-type mold is commonly used to provide necessary clearance for the submerged entry nozzle in the thin slab casting(TSC).The partially solidified shell is subjected to the mechanical deformations,which can lead...A funnel-type mold is commonly used to provide necessary clearance for the submerged entry nozzle in the thin slab casting(TSC).The partially solidified shell is subjected to the mechanical deformations,which can lead to the defects formation and,as a results,to a breakout.Traditionally,the results of the flow simulation,performed by the finite volume method(FVM),are fed to the external package for the finite element analysis of stress and strain.A coupled model was assembled using“creeping solid”approach by blending the Norton-Hoff viscoplastic stress for the solidifying shell with the Newtonian viscous stress of the liquid melt.The FVM was used to combine both liquid and solid stress models within a single solver.The iterative procedure based on the improved both side diffusion method was introduced to treat the nonlinear relation between the viscoplastic stress and the strain rate.The modeled shell thickness was verified by previously published breakout measurements and the simulation results.Temperature distribution,obtained during the TSC simulation,dominantly corresponds to the viscoplastic range.Developed numerical approach is robust and has direct industrial application.展开更多
Populus euphratica trees are the sole natural perennial riparian woodlands native to the river oases in the lower reaches of Heihe River Basin in northwestern China.This study investigated characteristics of the stem ...Populus euphratica trees are the sole natural perennial riparian woodlands native to the river oases in the lower reaches of Heihe River Basin in northwestern China.This study investigated characteristics of the stem sap flux of Populus euphratica and its rela-tionship to environmental factors using the thermal dissipation probe(TDP) method.The results showed that(1) daily variation of sap flow of P.euphratica on clear days exhibited an obvious unimodal curve;sap flow rates in June,July,August,and September were 13.39,12.07,12.69,and 5.10 L/d,respectively;(2) the average transpiration of the Populus euphratica from June through September amounted to 1,309.84 L;(3) stem sap flow can be affected by a number of environmental factors that,in terms of the influential degree,can be arranged in the descending order of air temperature,soil moisture,relative humidity,total solar radiation,soil temperature,and wind velocity.展开更多
Oil-producing crops,including Helianthus annuus L.(H.annuus,Sunflower),have been used for the treatment of different human diseases since ancient times.This study aims to determine the antimicrobial and cytotoxic pote...Oil-producing crops,including Helianthus annuus L.(H.annuus,Sunflower),have been used for the treatment of different human diseases since ancient times.This study aims to determine the antimicrobial and cytotoxic potential of different polarities of seeds and flower extracts of locally grown H.annuus by well-established bioassays.To achieve the objects,the plant extracts were prepared from both flowers and seeds powder samples individually with methanol solvent by using a Soxhlet extraction method.The antimicrobial and cytotoxic potential of the flowers and seed extracts were determined by the in vitro diffusion and brine shrimp method(BSL).The results of the antimicrobial potential of both prepared flower and seed extracts of various polarities at different concentrations showed promising potential against the gram-positive and gram-negative bacterial strains,within the range of inhibition zone 0–20 mm.Among the flower extracts,the highest potential was obtained in water extract and the lowest potential was in butanol extract followed by water>ethyl acetate>hexane>methanol>chloroform>butanol extracts.However,from the seed extracts,the highest potential was obtained in water extract and the lowest potential was in the methanol extract followed by water>hexane>butanol>ethyl acetate>chloroform>methanol extract.On the other hand,the results of cytotoxicity among the flowers extracts against the brine shrimp method where the highest LC50 against brine shrimp nauplii were found to be 31.25μg/mL in water extract and the lowest LC50 was 1345.86μg/mL in chloroform extract followed by water>ethyl acetate>hexane>butanol>methanol>chloroform extract.Similarly,different polarities of seed extracts,the highest LC50 against brine shrimp nauplii was shown to be 109.56μg/mL in butanol extract and the lowest LC50 was 1513.56μg/mL in ethyl acetate extract followed by butanol>hexane>water>methanol>chloroform>ethyl acetate extract.In conclusion,the results showed that both flowers and seeds extracts at various concentrations have promising potential against the positive and negative bacterial strains and the highest potential water extract could be used as natural broad-spectrum antibiotics as herbal medicine to treat different human infectious diseases.展开更多
基金supported by the National Natural Science Foundation of China(Nos.11271273 and 11271298)
文摘This paper proposes a new nonconforming finite difference streamline diffusion method to solve incompressible time-dependent Navier-Stokes equations with a high Reynolds number. The backwards difference in time and the Crouzeix-Raviart （CR） element combined with the P0 element in space are used. The result shows that this scheme has good stabilities and error estimates independent of the viscosity coefficient.
基金Project ( 2001AA218011) supported by the National High Technology Development "863" Program of China
文摘The nanoparticles of polylactide (PLA) and poly(lactide-co-glycolide) (PLGA) were prepared by the bi-nary organic solvent diffusion method. The yield, particle size and size distribution of these nanoparticles wereevaluated. The yield of nanoparticles prepared by this method is over 90%, and the average size of the nanoparticlesis between 130-180 nm. In order to clarify the effect of the organic solvent used in the system on nanoparticle yieldand size, the cloud points of PLA and PLGA were examined by cloud point titration. The results indicate that theyields of nanoparticles increase with the increase of ethanol in the acetone solution and attain the maximum at thecloud point of ethanol, while the size of nanoparticles decreases with the increase of ethanol in the acetone solutionand attains the minimum at the cloud point of ethanol. The optimal composition ratio of binary organic solvents coin-cides to that near the cloud point and the optimal condition of binary organic solvents can be predicted.
基金supported by the National Natural Science Foundation of China(No.10771150)the National Basic Research Program of China(No.2005CB321701)+1 种基金the Program for New Century Excellent Talents in University(No.NCET-07-0584)the Natural Science Foundation of Sichuan Province(No.07ZB087)
文摘A nonconforming finite element method of finite difference streamline diffusion type is proposed to solve the time-dependent linearized Navier-Stokes equations. The backward Euler scheme is used for time discretization. Crouzeix-Raviart nonconforming finite element approximation, namely, nonconforming （P1）2 - P0 element, is used for the velocity and pressure fields with the streamline diffusion technique to cope with usual instabilities caused by the convection and time terms. Stability and error estimates are derived with suitable norms.
基金supported by the National Natural Science Foundation of China(Nos.11271340 and11671369)
文摘This paper aims to present a new streamline diffusion method with low order rectangular Bernardi-Raugel elements to solve the generalized Oseen equations. With the help of the Bramble-Hilbert lemma, the optimal errors of the velocity and pressure are estimated, which are independent of the considered parameter e. With an interpolation postprocessing approach, the superconvergent error of the pressure is obtained. Finally, a numerical experiment is carried out to confirm the theoretical results.
基金supported by the National Natural Science Foundation of China(Nos.52174277 and 51874077)the Fundamental Funds for the Central Universities,China(No.N2225032)+1 种基金the China Postdoctoral Science Foundation(No.2022M720683)the Postdoctoral Fund of Northeastern University,China。
文摘The formation mechanism of calcium vanadate and manganese vanadate and the difference between calcium and manganese in the reaction with vanadium are basic issues in the calcification roasting and manganese roasting process with vanadium slag.In this work,CaO–V_(2)O_(5) and MnO_(2)–V_(2)O_(5) diffusion couples were prepared and roasted for different time periods to illustrate and compare the diffusion reaction mechanisms.Then,the changes in the diffusion product and diffusion coefficient were investigated and calculated based on scanning electron microscopy (SEM) with energy dispersive X-ray spectroscopy (EDS) analysis.Results show that with the extension of the roasting time,the diffusion reaction gradually proceeds among the CaO–V_(2)O_(5) and MnO_(2)–V_(2)O_(5) diffusion couples.The regional boundaries of calcium and vanadium are easily identifiable for the CaO–V_(2)O_(5) diffusion couple.Meanwhile,for the MnO_(2)–V_(2)O_(5) diffusion couple,MnO_(2) gradually decomposes to form Mn_(2)O_(3),and vanadium diffuses into the interior of Mn_(2)O_(3).Only a part of vanadium combines with manganese to form the diffusion production layer.CaV_(2)O_(6) and MnV_(2)O_(6) are the interfacial reaction products of the CaO–V_(2)O_(5) and MnO_(2)–V_(2)O_(5) diffusion couples,respectively,whose thicknesses are 39.85 and 32.13μm when roasted for 16 h.After 16 h,both diffusion couples reach the reaction equilibrium due to the limitation of diffusion.The diffusion coefficient of the CaO–V_(2)O_(5) diffusion couple is higher than that of the MnO_(2)–V_(2)O_(5) diffusion couple for the same roasting time,and the diffusion reaction between vanadium and calcium is easier than that between vanadium and manganese.
文摘The low diffusion （LD） particle method, proposed by Burt and Boyd, is modified for the near-continuum two-phase flow simulations. The LD method has the advantages of easily coupling with the direct simulation Monte Carlo （DSMC） method for multi-scale flow simulations and dramatically reducing the numerical diffusion error and statistical scatter of the equilibrium particle methods. Liquidor solid-phase particles are introduced in the LD method. Their velocity and temperature updating are respectively, calculated from the motion equation and the temperature equation according to the local gas properties. Coupling effects from condensed phase to gas phase are modeled as momentum and energy sources, which are respectively, equal to the negative values of the total momentum and energy increase in liquid or solid phase. The modified method is compared with theoretical results for unsteady flows, and good agreements are obtained to indicate the reliability of the one-way gas-to-particle coupling models. Hybrid LD-DSMC algorithm is implemented and performed for nozzle discharging gas-liquid flow to show the prospect of the LD-DSMC scheme for multi-scale two-phase flow simulations.
基金supported by the National Basic Research Program under the Grant 2005CB321701the National Natural Science Foundation of China under the Grants 60474027 and 10771211.
文摘In this paper,we investigate a streamline diffusion finite element approxi- mation scheme for the constrained optimal control problem governed by linear con- vection dominated diffusion equations.We prove the existence and uniqueness of the discretized scheme.Then a priori and a posteriori error estimates are derived for the state,the co-state and the control.Three numerical examples are presented to illustrate our theoretical results.
基金Supported by the National Natural Science Foundation of China(10471103)
文摘This paper is devoted to studying the superconvergence of streamline diffusion finite element methods for convection-diffusion problems. In [8], under the condition that ε ≤ h^2 the optimal finite element error estimate was obtained in L^2-norm. In the present paper, however, the same error estimate result is gained under the weaker condition that ε≤h.
文摘This paper examines the numerical solution of the convection-diffusion equation in 2-D. The solution of this equation possesses singularities in the form of boundary or interior layers due to non-smooth boundary conditions. To overcome such singularities arising from these critical regions, the adaptive finite element method is employed. This scheme is based on the streamline diffusion method combined with Neumann-type posteriori estimator. The effectiveness of this approach is illustrated by different examples with several numerical experiments.
文摘In this paper we make a close study of the finite analytic method by means of the maximum principles in differential equations and give the proof of the stability and convergence of the finite analytic method.
文摘In recent years, there has been a growing interest in researching and developing new antimicrobial agents from various sources to combat microbial resistance. Therefore, a greater attention has been paid to antimicrobial activity screening and evaluating methods. Several bioassays such as disk-diffusion, well diffusion and broth or agar dilution are well known and commonly used, but others such as flow cy- tofluorometric and bioluminescent methods are not widely used because they require specified equip- ment and further evaluation for reproducibility and standardization, even if they can provide rapid re- sults of the antimicrobial agent＇s effects and a better understanding of their impact on the viability and cell damage inflicted to the tested microorganism. In this review article, an exhaustive list of in vitro antimicrobial susceptibility testing methods and detailed information on their advantages and limita- tions are reported.
文摘A posteriori error estimate of the discontinuous-streamline diffusion method for first-order hyperbolic equations was presented, which can be used to adjust space mesh reasonably. A numerical example is given to illustrate the accuracy and feasibility of this method.
文摘Nonlinear optical crystals of L-Arginine maleate dihydrate were grown from liquid diffusion method. The lattice parameters of the crystal were identified using single crystal and powder crystal X-ray diffraction analyses. Fourier transform infrared spectroscopy and Fourier transform Raman spectroscopy were made to study the vibrational functional groups in the grown crystal. Optical absorption and transmission ranges were measured from UV-VIS-NIR spectrum. The molecular structure of the crystal is established through <sup>1</sup>H-NMR and <sup>13</sup>C-NMR studies. Thermal stabilities and decomposition of the grown crystal were studied from TG/DTA and DSC analyses. Nonlinear optical property of the crystal was determined by Kurtz and Perry powder technique.
文摘On basis of bond dissociation energies （BDEs） for BH2, B（OH）2, BCl2, and BCl, the diffusion Monte Carlo （DMC） method is applied to explore the BDEs of HB-H, HOB-OH, ClB-Cl, and B-Cl. The effect of the choice of orbitals, as well as the backflow transformation, is studied. The Slater-Jastrow DMC algorithm gives BDEs of 359.1±0.12 kJ/mol for HB-H, 410.5±0.50 kJ/mol for HOB-OH, 357.8±1.46 kJ/mol for ClB-Cl, and 504.5±0.96 kJ/mol for B-Cl using B3PW91 orbitals and similar BDEs when B3LYP orbitals are used. DMC with backflow corrections （BF-DMC） gives a HB-H BDE of 369.9±0.12 kJ/mol which is close to one of the available experimental value （375.8 kJ/mol）. In the case of HOB-OH BDE, the BF-DMC calculation is 446.04-1.84 k J/mol that is closer to the experimental BDE. The BF-DMC BDE for ClB-Cl is 343.2±2.34 kJ/mol and the BF-DMC B-Cl BDE is 523.3±0.33 kJ/mol, which are close to the experimental BDEs, 341.9 and 530.0 kJ/mol, respectively.
基金This work was supported by the National Natural Science Foundation of China （No.20833004 and No.21073146） and the Research Fund for the Doctoral Program of Higher Education of China （No.200803840009）.
文摘Triplet-triplet energy transfer in fluorene dimer with electronic structure calculations. The two is investigated by combining rate theories key parameters for the control of energy transfer, electronic coupling and reorganization energy, are calculated based on the diabatic states constructed by the constrained density functional theory. The fluctuation of the electronic coupling is further revealed by molecular dynamics simulation. Succeedingly, the diagonal and off-diagonal fluctuations of the Hamiltonian are mapped from the correlation functions of those parameters, and the rate is then estimated both from the perturbation theory and wavepacket diffusion method. The results manifest that both the static and dynamic fluctuations enhance the rate significantly, but the rate from the dynamic fluctuation is smaller than that from the static fluctuation.
基金Project supported by the National High-Tech R & D Program (863) of China (No.2008AA09Z405)the International Science and Tech-nology Cooperation Projects of China (No.2009DFA32250)
文摘The purpose of this study was to isolate and characterize endophytic fungi from the stem tissue which can produce fragrant ingredients in Aquilaria sinensis(also called agarwood) to determine their antitumor and antimicrobial activities.Twenty-eight fungal endophytes were isolated from agarwood by strict sterile sample preparation and were classified into 14 genera and 4 taxonomic classes(Sordariomycetes,Dothideomycetes,Saccharomycetes,and Zy-gomycetes) based on molecular identification.Of the 28 isolates,13(46.4%) showed antimicrobial activity against at least one of the test strains by the agar well diffusion method,and 23 isolates(82.1%) displayed antitumor activity against at least one of five cancer cell lines by 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide(MTT) assay.The diameters of inhibition zones of YNAS07,YNAS14,HNAS04,HNAS05,HNAS08,and HNAS11 were equal to or higher than 14.0 mm against Staphylococcus aureus,Escherichia coli,Bacillus subtilis,B.subtilis,Aspergillus fumigatus,and B.subtilis,respectively.The inhibition rates of YNAS06,YNAS08,and HNAS06 were not less than 60% to 293-T,293-T,and SKVO3 cells,respectively.These results suggest that the endophytic fungi associated with agarwood will provide us with not only useful micro-ecological information,but also potential antimicrobial and anti-tumor agents.
基金Supported by the Special Funds for Major State Basic Research Program of China (973 Program, No.2007CB935800)theNational High Technology Research and Development Program of China (863 Program, No.2004AA215162).
文摘The aim of this study was to prepare arsenic trioxide （ATO）-loaded stealth PEGylated PLGA nanoparticles （PEG-PLGA-NPs） and to assess the merits of PEG-PLGA-NPs as drug carriers for ATO delivery. PEG-PLGA copolymer was synthesized with methoxypolyethyleneglycol （Mw=5000）, D, L-lactide, and glycolide by the ring-opening polymerization method. Amorphous ATO was transformed into cubic crystal form to increase its solu-bility in the organic solvent. ATO-loaded PEG-PLGA-NPs were prepared by the modified spontaneous emulsification solvent diffusion （SESD） method, and the main experimental factors influencing the characteristics of nanopar- ticles were investigated, to optimize the preparation. To confirm the escape of PEG-PLGA-NPs from phagocytosis by phagocytes, PEG-PLGA-NPs labeled rhodamine B uptake by murine peritoneal macrophages （MPM） were analyzed by flow cytometry. The results showed that the physicochemical characteristics of PEG-PLGA-NPs were affected by the type and concentration of the emulsifiers, polymer concentration, and drug concentration. ATO-loaded PEG-PLGA-NPs, with particle size of 120.8nm, zeta potential of-10.73mV, encapsulation efficiency of 73.6%, and drug loading of 1.36%, were prepared under optimal conditions. The images of transmission electron micros-copy （TEM） indicated that the optimized nanoparticles were near spherical and without aggregation or adhesion. The release experiments in vitro showed the ATO release from PEG-PLGA-NPs exhibited consequently sustained release for more than 26d, which was in accordance with Higuchi equation. The uptake of PEG-PLGA-NPs by MPM was found to decrease markedly compared to PLGA-NPs. The experimental results showed that PEG-PLGA-NPs were potential nano drug delivery carriers for ATO.
基金the financial support by the Austrian Federal Ministry of Economy,Family and Youth and the National Foundation for Research,Technology and Development within the framework of the Christian Doppler Laboratory for Metallurgical Applications of Magnetohydrodynamics.
文摘A funnel-type mold is commonly used to provide necessary clearance for the submerged entry nozzle in the thin slab casting(TSC).The partially solidified shell is subjected to the mechanical deformations,which can lead to the defects formation and,as a results,to a breakout.Traditionally,the results of the flow simulation,performed by the finite volume method(FVM),are fed to the external package for the finite element analysis of stress and strain.A coupled model was assembled using“creeping solid”approach by blending the Norton-Hoff viscoplastic stress for the solidifying shell with the Newtonian viscous stress of the liquid melt.The FVM was used to combine both liquid and solid stress models within a single solver.The iterative procedure based on the improved both side diffusion method was introduced to treat the nonlinear relation between the viscoplastic stress and the strain rate.The modeled shell thickness was verified by previously published breakout measurements and the simulation results.Temperature distribution,obtained during the TSC simulation,dominantly corresponds to the viscoplastic range.Developed numerical approach is robust and has direct industrial application.
基金funded by the State Basic Research Planning Development Engineering-project (2009CB421303-2)the National Natural Science Foundation of China (40501012)the Knowledge Innovation Program from the Chinese Academy of Sciences (KZCX2-XB2-04)
文摘Populus euphratica trees are the sole natural perennial riparian woodlands native to the river oases in the lower reaches of Heihe River Basin in northwestern China.This study investigated characteristics of the stem sap flux of Populus euphratica and its rela-tionship to environmental factors using the thermal dissipation probe(TDP) method.The results showed that(1) daily variation of sap flow of P.euphratica on clear days exhibited an obvious unimodal curve;sap flow rates in June,July,August,and September were 13.39,12.07,12.69,and 5.10 L/d,respectively;(2) the average transpiration of the Populus euphratica from June through September amounted to 1,309.84 L;(3) stem sap flow can be affected by a number of environmental factors that,in terms of the influential degree,can be arranged in the descending order of air temperature,soil moisture,relative humidity,total solar radiation,soil temperature,and wind velocity.
文摘Oil-producing crops,including Helianthus annuus L.(H.annuus,Sunflower),have been used for the treatment of different human diseases since ancient times.This study aims to determine the antimicrobial and cytotoxic potential of different polarities of seeds and flower extracts of locally grown H.annuus by well-established bioassays.To achieve the objects,the plant extracts were prepared from both flowers and seeds powder samples individually with methanol solvent by using a Soxhlet extraction method.The antimicrobial and cytotoxic potential of the flowers and seed extracts were determined by the in vitro diffusion and brine shrimp method(BSL).The results of the antimicrobial potential of both prepared flower and seed extracts of various polarities at different concentrations showed promising potential against the gram-positive and gram-negative bacterial strains,within the range of inhibition zone 0–20 mm.Among the flower extracts,the highest potential was obtained in water extract and the lowest potential was in butanol extract followed by water>ethyl acetate>hexane>methanol>chloroform>butanol extracts.However,from the seed extracts,the highest potential was obtained in water extract and the lowest potential was in the methanol extract followed by water>hexane>butanol>ethyl acetate>chloroform>methanol extract.On the other hand,the results of cytotoxicity among the flowers extracts against the brine shrimp method where the highest LC50 against brine shrimp nauplii were found to be 31.25μg/mL in water extract and the lowest LC50 was 1345.86μg/mL in chloroform extract followed by water>ethyl acetate>hexane>butanol>methanol>chloroform extract.Similarly,different polarities of seed extracts,the highest LC50 against brine shrimp nauplii was shown to be 109.56μg/mL in butanol extract and the lowest LC50 was 1513.56μg/mL in ethyl acetate extract followed by butanol>hexane>water>methanol>chloroform>ethyl acetate extract.In conclusion,the results showed that both flowers and seeds extracts at various concentrations have promising potential against the positive and negative bacterial strains and the highest potential water extract could be used as natural broad-spectrum antibiotics as herbal medicine to treat different human infectious diseases.
