In the flexible job-shop scheduling problem (FJSP), each operation has to be assigned to a machine from a set of capable machines before alocating the assigned operations on all machines. To solve the multi-objectiv...In the flexible job-shop scheduling problem (FJSP), each operation has to be assigned to a machine from a set of capable machines before alocating the assigned operations on all machines. To solve the multi-objective FJSP, the Grantt graph oriented string representation (GOSR) and the basic manipulation of the genetic algorithm operator are presented. An integrated operator genetic algorithm (IOGA) and its process are described. Comparison between computational results and the latest research shows that the proposed algorithm is effective in reducing the total workload of all machines, the makespan and the critical machine workload.展开更多
Producing magnesium hydroxide is the basic way to utilize magnesium resources of natural brines. However, the effect of lithium on properties of product is always neglected. The interaction between ions in magnesium c...Producing magnesium hydroxide is the basic way to utilize magnesium resources of natural brines. However, the effect of lithium on properties of product is always neglected. The interaction between ions in magnesium chloride solution containing lithium was illustrated based on the experimental results, and the effect of lithium on the crystallization of magnesium was clarified. The results of X-ray diffraction(XRD), scanning election microscope(SEM), Fourier transform infrared spectroscopy(FTIR), thermogravimetry analysis(TGA) and laser particle size analysis indicate that the effect of lithium is not obvious on the crystal phase and morphology of the products. But the XRD relative intensity of(001) surface of magnesium hydroxide declines, the specific surface area reduces apparently and the additive mass of lithium affects the heat loss rates of precipitations obviously. Quantum chemical calculations on the interactional systems of Mg(H2O)2+6 and Li(H2O)+4 were performed using B3LYP/6-311 G basis set. The results show that when the distance of Mg2+ and Li+ is 7-10 , the interaction energy is high and the trend of solvation is strong, which would make hydroxide ions easier to combine with hydrogen ions in ammonia precipitation process. And the absolute value of solvation free energy reduces significantly in MgCl2 solution(1 mol/L) containing lithium ion.展开更多
The plastic deformation processes of magnesium alloys near a void at atomic scale level were examined through molecular dynamics(MD)simulation.The modified embedded atom method(MEAM)potentials were employed to charact...The plastic deformation processes of magnesium alloys near a void at atomic scale level were examined through molecular dynamics(MD)simulation.The modified embedded atom method(MEAM)potentials were employed to characterize the interaction between atoms of the magnesium alloy specimen with only a void.The void growth and crystal failure processes for hexagonal close-packed(hcp)structure were observed.The calculating results reveal that the deformation mechanism near a void in magnesium alloy is a complex process.The passivation around the void,dislocation emission,and coalescence of the void and micro-cavities lead to rapid void growth.展开更多
Objective: To observe the efficacy and toxicities of paclitaxel plus cisplatin in the treatment of recurrent cervical cancer. Methods: Twenty-three patients with a diagnosis of recurrent cervical cancer were eligible....Objective: To observe the efficacy and toxicities of paclitaxel plus cisplatin in the treatment of recurrent cervical cancer. Methods: Twenty-three patients with a diagnosis of recurrent cervical cancer were eligible. Three-weekly chemo- therapy regimen consisted of paclitaxel 135–150 mg/m2 infusion for 3 h on day 1, cisplatin 25 mg/m2 infusion on day 1 to 3. All patients received at least two cycles treatment. Results: The response rates was 47.8%, including CR 2 cases (8.7%), PR 9 cases (39.1%). The major toxicity included neutropenia, nausea vomiting, arthralgia, myalgia and alopecia. Conclusion: Paclitaxel combined with cisplatin is an effective therapy with acceptable adverse reactions for recurrent cervical cancer.展开更多
Cu x S thin films are implanted by low energy N + ion beam. The influences of the energy and dose of N + ion implantation on Cu x S films are investigated. The results show that the ratio of copper to sulfur is increa...Cu x S thin films are implanted by low energy N + ion beam. The influences of the energy and dose of N + ion implantation on Cu x S films are investigated. The results show that the ratio of copper to sulfur is increased to some extent, the constituents of the film are turned to rich copper phase from rich sulfurous phase after ion beam irradiation. X-ray diffraction spectrum and optical transmission spectra of sample have confirmed the results.展开更多
Some new structures and interactions of solitons for the (2+1)-dimensional Nizhnik-Novikov-Veselov equation are revealed with the help of the idea of the bilinear method and variable separation approach. The soluti...Some new structures and interactions of solitons for the (2+1)-dimensional Nizhnik-Novikov-Veselov equation are revealed with the help of the idea of the bilinear method and variable separation approach. The solutions to describe the interactions between two dromions, between a line soliton and a y-periodic soliton, and between two y-periodic solitons are included in our results. Detailed behaviors of interaction are illustrated both analytically and in graphically. Our analysis shows that the interaction properties between two solitons are related to the form of interaction constant. The form of interaction constant and the dispersion relationship are related to the form of the seed solution (u0, v0, w0 ) in Backlund transformation.展开更多
An accurate method to solve the daynes Cummings (J-C) Hamiltonian has been investigated here. The phenomenon of atomic collapse and revival predicted by Jaynes-Cummings model is demonstrated. Solutions are consis- t...An accurate method to solve the daynes Cummings (J-C) Hamiltonian has been investigated here. The phenomenon of atomic collapse and revival predicted by Jaynes-Cummings model is demonstrated. Solutions are consis- tent with the precious such as using the operator method. Furthermore, the Jaynes-Cummings Hamiltonian including the anti-rotating term is also solved precisely using this accurate way so that results agree with experiments better. Essences of the anti-rotating term are revealed. We discuss the relations of the phenomenon of atomic collapse and revival with the average photons number, the light field phase angle, the resonant frequency, and the size of coupling constant. The discussions may make one select suitable conditions to carry out experiment well and study the virtual light field effect on cavity quantum electrodynamics.展开更多
A series of die casting heat-resistant magnesium alloys based on Mg-Al system were developed for automotive application by adding Y and various amounts of Ca. The mechanical properties and microstructures of die casti...A series of die casting heat-resistant magnesium alloys based on Mg-Al system were developed for automotive application by adding Y and various amounts of Ca. The mechanical properties and microstructures of die casting AZ91 alloy with combined addition of Y and Ca were investigated by optical microscopy, scanning electronic microscopy, X-ray diffractometry and mechanical property test. The results show that the combined addition of Y and Ca can refine the as-die-cast microstructure, result in the formation of Al2Ca phase and Al2Y phase, and inhibit the precipitation of Mg17Al12 phase. The combined addition of Y and small amount of Ca has little influence on the ambient temperature tensile properties, but increasing the content of Ca can improve significantly the tensile strength at both ambient and elevated temperatures. It is found that for AZ91-1Y-xCa alloy, the hardness and the elevated temperature tensile strength increase, while the elongation decreases with increasing the addition of Ca. The mechanism of mechanical properties improvement caused by the combined addition of Y and Ca was also discussed.展开更多
The density functional theory based on hybrid-method B3LYP was used to investigate the interaction of the alkaline-earth cations or alkali cations with crown tetraalanylpeptide which was the coronary structures of hom...The density functional theory based on hybrid-method B3LYP was used to investigate the interaction of the alkaline-earth cations or alkali cations with crown tetraalanylpeptide which was the coronary structures of homothetic cyclotetraalapeptide and was represented as the model basic. Many properties including binding energy, optimum geometry structures and population analysis were calculated. It was shown that there was little change on the coronary structure before and after C4-AIa combination with small I A or |I A cations, and the electrons moved from C4-AIa to alkaline-earth cations or alkali cations during this process. Combination with C4-Ala, Be2~ was more predominant than Mg2~ and Ca2~ remarkably, but Li~ was not more predominant than Na+ and K+. The distances between alkaline-earth cations and the center of C4-Ala were 0.000 nm, 0.150 nm and 0.225 nm, respectively, when the binding energy at minimum, and that for alkali cations were 0.225 nm, 0.250 nm and 0.300 nm.展开更多
Ion mobility spectra for ten alcohols have been studied in an ion mobility spectrometry apparatus equipped with a corona discharge ionization source. Using protonated water cluster ions as the reactant ions and clean ...Ion mobility spectra for ten alcohols have been studied in an ion mobility spectrometry apparatus equipped with a corona discharge ionization source. Using protonated water cluster ions as the reactant ions and clean air as the drift gas, the alcohols exhibit different product ion characteristic peaks in their ion mobility spectra. The detection limit for these alcohols is at low concentration pmol/L level according to the concentration calibration by exponential dilution method. Based on the measured ion mobilities, several chemical physics parameters of the ion-molecular interaction at atmosphere were obtained, including the ionic collision cross sections, diffusion coefficients, collision rate constants, and the ionic radii under the hard-sphere model approximation.展开更多
A class of new doubly periodic wave solutions for (2+1)-dimensional KdV equation are obtained by introducing appropriate Jacobi elliptic functions and Weierstrass elliptic functions in the general solution(contain...A class of new doubly periodic wave solutions for (2+1)-dimensional KdV equation are obtained by introducing appropriate Jacobi elliptic functions and Weierstrass elliptic functions in the general solution(contains two arbitrary functions) got by means of multilinear variable separation approach for (2+1)-dimensional KdV equation. Limiting cases are considered and some localized excitations are derived, such as dromion, multidromions, dromion-antidromion, multidromions-antidromions, and so on. Some solutions of the dromion-antidromion and multidromions-antidromions are periodic in one direction but localized in the other direction. The interaction properties of these solutions, which are numerically studied, reveal that some of them are nonelastic and some are completely elastic. Furthermore, these results are visualized.展开更多
Four acrylamide polymer flocculants, anionic polyacrylamide P(AA-co-AM), cationic poly- acrylamide P(DMB-co-AM), nonionic polyacrylamide P(AM), and hydrophobical polyacry- lamide P(OA-co-AM) have been prepared...Four acrylamide polymer flocculants, anionic polyacrylamide P(AA-co-AM), cationic poly- acrylamide P(DMB-co-AM), nonionic polyacrylamide P(AM), and hydrophobical polyacry- lamide P(OA-co-AM) have been prepared by copolymerizing with acrylic acid, cationic monomer dimethylethyl (acryloxyethyl) ammonium bromide (DMB) and hydrophobical monomer octadecyl acrylate with acrylamide. The interactions between the flocculants with the (012) surface of alumina crystal (A1203) have been simulated by molecular dynamics method. All the polymers can bind tightly with A1203 crystal, the interaction between the O of polymers and A1 of the (012) surface of A1203 is significantly strong. The order of binding energy is as follows: P(DMB-co-AM)〉P(OA-co-AM)〉P(AA-co-AM)〉P(AM), implying a better flocculation performance of P(DMB-co-AM) than the others. Analy- sis indicates that binding energy is mainly determined by Coulomb interaction. Bonds are found between the O atoms of the polymers and the A1 atoms of A1203. The poly- mers' structures deform when they combine with A1203 crystal, but the deformation en- ergies are low and far less than non-bonding energies. Flocculation experiments in sus- pension medium of l%Kaolin show a transmittancy of 90.8% for 6 mg/L P(DMB-co-AM) and 73.0% for P(AM). The sequence of flocculation performance of four polymers is P(DMB-co-AM)〉P(OA-co-AM)〉P(AA-co-AM)〉P(AM), which is in excellent agreement with the simulation results of binding energy.展开更多
In this paper a stochastic series expansion quantum Monte Carlo algorithm is used to study a frustratedspin chain with diagonal next-nearest-neighbor interactions.The detailed balance conditions are carefully analyzed...In this paper a stochastic series expansion quantum Monte Carlo algorithm is used to study a frustratedspin chain with diagonal next-nearest-neighbor interactions.The detailed balance conditions are carefully analyzed toimprove the efficiency of simulation process.As an application of this algothrim,the total magnetization,the staticstructure factor and spin-stiffness are calculated for a certain set of system parameters as a function of external fieldstrength.展开更多
Heavy metals contents of soils and vegetable edible parts were studied at three crop systems (conventional, in conversion and organic) from seven traditional sites for vegetable growing in North-eastern Romania, dur...Heavy metals contents of soils and vegetable edible parts were studied at three crop systems (conventional, in conversion and organic) from seven traditional sites for vegetable growing in North-eastern Romania, during 2010. The main goal of the research was to find a correlation between the heavy metals contents and the crop systems. Determination of heavy metals was performed by atomic absorption spectrometry (AAS), using a Shimadzu spectrophotometer, 6300 version, equipped with graphite furnace and autosampler. Heavy metals contents in the soils varied with the metals and locations, according to the crop system. The following experimental average contents were determined: Mn-262.03 mg kg1, Zn-45.60 mg kgq, Cu-28.53 mg kgl, Pb-5.20 mg kg1 and Cd-1.84 mg kg1. In vegetable edible parts, heavy metal varied with metals, sites and plant species, without a significant correlation with crop system. The trend of heavy metals in conventional and organic crops was Zn 〉 Cu 〉 Mn = Pb 〉 Cd, but in conversion crops it was Zn 〉 Mn = Pb 〉 Cu 〉 Cd. The highest content was of Zn (4.85 mg kg't), at a cabbage crop in conversion. Cd was not detected in vegetable products and Pb was detected only in some vegetable samples. Research emphasized that heavy metals contents from soil and vegetable edible parts did not exceed the admitted maximum limits, according to Romanian and European Regulations. Final conclusion of research is that no correlations exist between crop systems and heavy metals contents from soil and plant.展开更多
We investigate the ground-state properties of the Anderson single impurity model (finite Coulomb impurity repulsion) with the Coupled Cluster Method. We consider different CCM reference states and approximation sche...We investigate the ground-state properties of the Anderson single impurity model (finite Coulomb impurity repulsion) with the Coupled Cluster Method. We consider different CCM reference states and approximation schemes and make comparison with exact Green's function results for the non-interacting model and with Brillouin-Wigner perturbation theory for the full interacting model. Our results show that coupled cluster techniques are well suited to quantum impurity problems.展开更多
Lunasia amara Blanco is a famous plant in South Sulawesi. It was used largely by local people as antibacteria and aphrodisiac. Quinoline alkaloid lunacridine was known as the active principle from Lunasia amara Blanco...Lunasia amara Blanco is a famous plant in South Sulawesi. It was used largely by local people as antibacteria and aphrodisiac. Quinoline alkaloid lunacridine was known as the active principle from Lunasia amara Blanco. Its activity was reported as a DNA Intercalating Topoisomerase II inhibitor. In this study, we have isolated and assayed the cytotoxic activity of lunacridine on P388 murine leukemia cells by MTT colorimetric assay (in vitro). Lunacridine showed the less cytotoxic activity with the IC50 of 39.52 μg/mL. With the aim to explore the structural determinants responsible for this activity, molecular docking study have been carried out with DNA model using AutoDock 4.0 software with various total of energy evaluations (in silico). The best docking reached at the total energy evaluations of 2.5 × 107 with the binding free energy of-6.63 kcal/mol. Analysis of the docking results was in accordance with the ability of lunacridine to intercalate between base pairs of DNA. Cytotoxic activity of lunacridine is less probably due to low affinity and molecular interaction. Therefore this study suggests to design and to develop lunacridine as a lead compound for anticancer drug.展开更多
A modified mapping method is used to obtain variable separation solution with two arbitrary functions of the(2+1)-dimensional Broer-Kaup-Kupershmidt equation.Based on the variable separation solution and by selecting ...A modified mapping method is used to obtain variable separation solution with two arbitrary functions of the(2+1)-dimensional Broer-Kaup-Kupershmidt equation.Based on the variable separation solution and by selecting appropriate functions,we discuss the completely elastic head-on collision between two dromion-lattices,non-completely elastic "chase and collision" between two multi-dromion-pairs and completely non-elastic interaction phenomenon between anti-dromion and dromion-pair.展开更多
Efficient room temperature phosphorescence (RTP) is rarely observed in pure organic luminogens. However, we have newly observed that benzil and its derivatives are nonluminescent in solvents and thin layer chromatogra...Efficient room temperature phosphorescence (RTP) is rarely observed in pure organic luminogens. However, we have newly observed that benzil and its derivatives are nonluminescent in solvents and thin layer chromatography (TLC) plates, but become highly phosphorescent in crystal state at room temperature, exhibiting typical crystallization-induced phosphorescence (CIP) characteristics. The CIP phenomenon is ascribed to the restriction of intramolecular rotations in crystals owing to effective intermolecular interactions. Such intermolecular interactions greatly rigidify the molecular conformation and significantly decrease the nonradiative deactivation channels of the triplet excitons, thus giving boosted phosphorescent emission at room temperature.展开更多
Two non-Hermitian PT-symmetric Hamiltonian systems are reconsidered by means of the algebraic method which was originally proposed for the pseudo-Hermitian Hamiltonian systems rather than for the PT-symmetric ones.Com...Two non-Hermitian PT-symmetric Hamiltonian systems are reconsidered by means of the algebraic method which was originally proposed for the pseudo-Hermitian Hamiltonian systems rather than for the PT-symmetric ones.Compared with the way converting a non-Hermitian Hamiltonian to its Hermitian counterpart,this method has the merit that keeps the Hilbert space of the non-Hermitian PT-symmetric Hamiltonian unchanged.In order to give the positive definite inner product for the PT-symmetric systems,a new operator V,instead of C,can be introduced.The operator V has the similar function to the operator C adopted normally in the PT-symmetric quantum mechanics,however,it can be constructed,as an advantage,directly in terms of Hamiltonians.The spectra of the two non-Hermitian PT-symmetric systems are obtained,which coincide with that given in literature,and in particular,the Hilbert spaces associated with positive definite inner products are worked out.展开更多
文摘In the flexible job-shop scheduling problem (FJSP), each operation has to be assigned to a machine from a set of capable machines before alocating the assigned operations on all machines. To solve the multi-objective FJSP, the Grantt graph oriented string representation (GOSR) and the basic manipulation of the genetic algorithm operator are presented. An integrated operator genetic algorithm (IOGA) and its process are described. Comparison between computational results and the latest research shows that the proposed algorithm is effective in reducing the total workload of all machines, the makespan and the critical machine workload.
基金Projects(51104185,51134007)supported by the National Natural Science Foundation of ChinaProject(2010QZZD003)supported by the Key Project of Central South University of Fundamental Research Funds for the Central Universities of China
文摘Producing magnesium hydroxide is the basic way to utilize magnesium resources of natural brines. However, the effect of lithium on properties of product is always neglected. The interaction between ions in magnesium chloride solution containing lithium was illustrated based on the experimental results, and the effect of lithium on the crystallization of magnesium was clarified. The results of X-ray diffraction(XRD), scanning election microscope(SEM), Fourier transform infrared spectroscopy(FTIR), thermogravimetry analysis(TGA) and laser particle size analysis indicate that the effect of lithium is not obvious on the crystal phase and morphology of the products. But the XRD relative intensity of(001) surface of magnesium hydroxide declines, the specific surface area reduces apparently and the additive mass of lithium affects the heat loss rates of precipitations obviously. Quantum chemical calculations on the interactional systems of Mg(H2O)2+6 and Li(H2O)+4 were performed using B3LYP/6-311 G basis set. The results show that when the distance of Mg2+ and Li+ is 7-10 , the interaction energy is high and the trend of solvation is strong, which would make hydroxide ions easier to combine with hydrogen ions in ammonia precipitation process. And the absolute value of solvation free energy reduces significantly in MgCl2 solution(1 mol/L) containing lithium ion.
基金Project(10776023)supported by the National Natural Science Foundation of China
文摘The plastic deformation processes of magnesium alloys near a void at atomic scale level were examined through molecular dynamics(MD)simulation.The modified embedded atom method(MEAM)potentials were employed to characterize the interaction between atoms of the magnesium alloy specimen with only a void.The void growth and crystal failure processes for hexagonal close-packed(hcp)structure were observed.The calculating results reveal that the deformation mechanism near a void in magnesium alloy is a complex process.The passivation around the void,dislocation emission,and coalescence of the void and micro-cavities lead to rapid void growth.
文摘Objective: To observe the efficacy and toxicities of paclitaxel plus cisplatin in the treatment of recurrent cervical cancer. Methods: Twenty-three patients with a diagnosis of recurrent cervical cancer were eligible. Three-weekly chemo- therapy regimen consisted of paclitaxel 135–150 mg/m2 infusion for 3 h on day 1, cisplatin 25 mg/m2 infusion on day 1 to 3. All patients received at least two cycles treatment. Results: The response rates was 47.8%, including CR 2 cases (8.7%), PR 9 cases (39.1%). The major toxicity included neutropenia, nausea vomiting, arthralgia, myalgia and alopecia. Conclusion: Paclitaxel combined with cisplatin is an effective therapy with acceptable adverse reactions for recurrent cervical cancer.
文摘Cu x S thin films are implanted by low energy N + ion beam. The influences of the energy and dose of N + ion implantation on Cu x S films are investigated. The results show that the ratio of copper to sulfur is increased to some extent, the constituents of the film are turned to rich copper phase from rich sulfurous phase after ion beam irradiation. X-ray diffraction spectrum and optical transmission spectra of sample have confirmed the results.
基金The project supported by the State Key Laboratory of 0il/Gas Reservoir Geology and Exploitation "PLN0402"The authors would like to thank Prof.Sen-Yue Lou for helpful discussions.
文摘Some new structures and interactions of solitons for the (2+1)-dimensional Nizhnik-Novikov-Veselov equation are revealed with the help of the idea of the bilinear method and variable separation approach. The solutions to describe the interactions between two dromions, between a line soliton and a y-periodic soliton, and between two y-periodic solitons are included in our results. Detailed behaviors of interaction are illustrated both analytically and in graphically. Our analysis shows that the interaction properties between two solitons are related to the form of interaction constant. The form of interaction constant and the dispersion relationship are related to the form of the seed solution (u0, v0, w0 ) in Backlund transformation.
基金Supported by the Natural Science Foundation of Hunan Province under Grant No.09JJ6011the Natural Science Foundation of Education Department of Hunan Province under Grant Nos.10A100 and 07C528
文摘An accurate method to solve the daynes Cummings (J-C) Hamiltonian has been investigated here. The phenomenon of atomic collapse and revival predicted by Jaynes-Cummings model is demonstrated. Solutions are consis- tent with the precious such as using the operator method. Furthermore, the Jaynes-Cummings Hamiltonian including the anti-rotating term is also solved precisely using this accurate way so that results agree with experiments better. Essences of the anti-rotating term are revealed. We discuss the relations of the phenomenon of atomic collapse and revival with the average photons number, the light field phase angle, the resonant frequency, and the size of coupling constant. The discussions may make one select suitable conditions to carry out experiment well and study the virtual light field effect on cavity quantum electrodynamics.
基金Project(2008T142) supported by the Innovation Team Program of Liaoning Provincial Department of Education of China
文摘A series of die casting heat-resistant magnesium alloys based on Mg-Al system were developed for automotive application by adding Y and various amounts of Ca. The mechanical properties and microstructures of die casting AZ91 alloy with combined addition of Y and Ca were investigated by optical microscopy, scanning electronic microscopy, X-ray diffractometry and mechanical property test. The results show that the combined addition of Y and Ca can refine the as-die-cast microstructure, result in the formation of Al2Ca phase and Al2Y phase, and inhibit the precipitation of Mg17Al12 phase. The combined addition of Y and small amount of Ca has little influence on the ambient temperature tensile properties, but increasing the content of Ca can improve significantly the tensile strength at both ambient and elevated temperatures. It is found that for AZ91-1Y-xCa alloy, the hardness and the elevated temperature tensile strength increase, while the elongation decreases with increasing the addition of Ca. The mechanism of mechanical properties improvement caused by the combined addition of Y and Ca was also discussed.
文摘The density functional theory based on hybrid-method B3LYP was used to investigate the interaction of the alkaline-earth cations or alkali cations with crown tetraalanylpeptide which was the coronary structures of homothetic cyclotetraalapeptide and was represented as the model basic. Many properties including binding energy, optimum geometry structures and population analysis were calculated. It was shown that there was little change on the coronary structure before and after C4-AIa combination with small I A or |I A cations, and the electrons moved from C4-AIa to alkaline-earth cations or alkali cations during this process. Combination with C4-Ala, Be2~ was more predominant than Mg2~ and Ca2~ remarkably, but Li~ was not more predominant than Na+ and K+. The distances between alkaline-earth cations and the center of C4-Ala were 0.000 nm, 0.150 nm and 0.225 nm, respectively, when the binding energy at minimum, and that for alkali cations were 0.225 nm, 0.250 nm and 0.300 nm.
基金V. ACKNOWLEDGMENTS This work was support by the National Natural Science Foundation of China (No.20577049, No.20707025, and No.20907054), the Chinese-Slovak Scientific and Technological Cooperation Project (No.4-03), the Excellent Youth Foundation of Anhui Province Scientific Committee (No.06045098), the Hefei Institutes of Physical Science, Chinese Academy of Science are gratefully acknowledged, and the Slovak Research and Development Agency, projects (No.LPP-0143-06 and No.SK- CN-029-07).
文摘Ion mobility spectra for ten alcohols have been studied in an ion mobility spectrometry apparatus equipped with a corona discharge ionization source. Using protonated water cluster ions as the reactant ions and clean air as the drift gas, the alcohols exhibit different product ion characteristic peaks in their ion mobility spectra. The detection limit for these alcohols is at low concentration pmol/L level according to the concentration calibration by exponential dilution method. Based on the measured ion mobilities, several chemical physics parameters of the ion-molecular interaction at atmosphere were obtained, including the ionic collision cross sections, diffusion coefficients, collision rate constants, and the ionic radii under the hard-sphere model approximation.
基金Foundation item: Supported by the National Natural Science Foundation of China(10647112, 10871040) Acknowledgement The authors are in debt to thank the helpful discussions with Prof Qin and Dr A P Deng.
文摘A class of new doubly periodic wave solutions for (2+1)-dimensional KdV equation are obtained by introducing appropriate Jacobi elliptic functions and Weierstrass elliptic functions in the general solution(contains two arbitrary functions) got by means of multilinear variable separation approach for (2+1)-dimensional KdV equation. Limiting cases are considered and some localized excitations are derived, such as dromion, multidromions, dromion-antidromion, multidromions-antidromions, and so on. Some solutions of the dromion-antidromion and multidromions-antidromions are periodic in one direction but localized in the other direction. The interaction properties of these solutions, which are numerically studied, reveal that some of them are nonelastic and some are completely elastic. Furthermore, these results are visualized.
文摘Four acrylamide polymer flocculants, anionic polyacrylamide P(AA-co-AM), cationic poly- acrylamide P(DMB-co-AM), nonionic polyacrylamide P(AM), and hydrophobical polyacry- lamide P(OA-co-AM) have been prepared by copolymerizing with acrylic acid, cationic monomer dimethylethyl (acryloxyethyl) ammonium bromide (DMB) and hydrophobical monomer octadecyl acrylate with acrylamide. The interactions between the flocculants with the (012) surface of alumina crystal (A1203) have been simulated by molecular dynamics method. All the polymers can bind tightly with A1203 crystal, the interaction between the O of polymers and A1 of the (012) surface of A1203 is significantly strong. The order of binding energy is as follows: P(DMB-co-AM)〉P(OA-co-AM)〉P(AA-co-AM)〉P(AM), implying a better flocculation performance of P(DMB-co-AM) than the others. Analy- sis indicates that binding energy is mainly determined by Coulomb interaction. Bonds are found between the O atoms of the polymers and the A1 atoms of A1203. The poly- mers' structures deform when they combine with A1203 crystal, but the deformation en- ergies are low and far less than non-bonding energies. Flocculation experiments in sus- pension medium of l%Kaolin show a transmittancy of 90.8% for 6 mg/L P(DMB-co-AM) and 73.0% for P(AM). The sequence of flocculation performance of four polymers is P(DMB-co-AM)〉P(OA-co-AM)〉P(AA-co-AM)〉P(AM), which is in excellent agreement with the simulation results of binding energy.
基金Supported by NSFC under Grants Nos.10874235,10934010,60978019NKBRSFC under Grants Nos.2006CB921400,2009CB930704,2010CB922904
文摘In this paper a stochastic series expansion quantum Monte Carlo algorithm is used to study a frustratedspin chain with diagonal next-nearest-neighbor interactions.The detailed balance conditions are carefully analyzed toimprove the efficiency of simulation process.As an application of this algothrim,the total magnetization,the staticstructure factor and spin-stiffness are calculated for a certain set of system parameters as a function of external fieldstrength.
文摘Heavy metals contents of soils and vegetable edible parts were studied at three crop systems (conventional, in conversion and organic) from seven traditional sites for vegetable growing in North-eastern Romania, during 2010. The main goal of the research was to find a correlation between the heavy metals contents and the crop systems. Determination of heavy metals was performed by atomic absorption spectrometry (AAS), using a Shimadzu spectrophotometer, 6300 version, equipped with graphite furnace and autosampler. Heavy metals contents in the soils varied with the metals and locations, according to the crop system. The following experimental average contents were determined: Mn-262.03 mg kg1, Zn-45.60 mg kgq, Cu-28.53 mg kgl, Pb-5.20 mg kg1 and Cd-1.84 mg kg1. In vegetable edible parts, heavy metal varied with metals, sites and plant species, without a significant correlation with crop system. The trend of heavy metals in conventional and organic crops was Zn 〉 Cu 〉 Mn = Pb 〉 Cd, but in conversion crops it was Zn 〉 Mn = Pb 〉 Cu 〉 Cd. The highest content was of Zn (4.85 mg kg't), at a cabbage crop in conversion. Cd was not detected in vegetable products and Pb was detected only in some vegetable samples. Research emphasized that heavy metals contents from soil and vegetable edible parts did not exceed the admitted maximum limits, according to Romanian and European Regulations. Final conclusion of research is that no correlations exist between crop systems and heavy metals contents from soil and plant.
文摘We investigate the ground-state properties of the Anderson single impurity model (finite Coulomb impurity repulsion) with the Coupled Cluster Method. We consider different CCM reference states and approximation schemes and make comparison with exact Green's function results for the non-interacting model and with Brillouin-Wigner perturbation theory for the full interacting model. Our results show that coupled cluster techniques are well suited to quantum impurity problems.
文摘Lunasia amara Blanco is a famous plant in South Sulawesi. It was used largely by local people as antibacteria and aphrodisiac. Quinoline alkaloid lunacridine was known as the active principle from Lunasia amara Blanco. Its activity was reported as a DNA Intercalating Topoisomerase II inhibitor. In this study, we have isolated and assayed the cytotoxic activity of lunacridine on P388 murine leukemia cells by MTT colorimetric assay (in vitro). Lunacridine showed the less cytotoxic activity with the IC50 of 39.52 μg/mL. With the aim to explore the structural determinants responsible for this activity, molecular docking study have been carried out with DNA model using AutoDock 4.0 software with various total of energy evaluations (in silico). The best docking reached at the total energy evaluations of 2.5 × 107 with the binding free energy of-6.63 kcal/mol. Analysis of the docking results was in accordance with the ability of lunacridine to intercalate between base pairs of DNA. Cytotoxic activity of lunacridine is less probably due to low affinity and molecular interaction. Therefore this study suggests to design and to develop lunacridine as a lead compound for anticancer drug.
基金Supported by the National Natural Science Foundation of China under Grant No. 11005092the Program for Innovative Research Team of Young Teachers under Grant No. 2009RC01Undergraduate Innovative Base of Zhejiang Agriculture and Forestry University,the Zhejiang Province Undergraduate Scientific and Technological Innovation Project under Grant No. 2012R412018
文摘A modified mapping method is used to obtain variable separation solution with two arbitrary functions of the(2+1)-dimensional Broer-Kaup-Kupershmidt equation.Based on the variable separation solution and by selecting appropriate functions,we discuss the completely elastic head-on collision between two dromion-lattices,non-completely elastic "chase and collision" between two multi-dromion-pairs and completely non-elastic interaction phenomenon between anti-dromion and dromion-pair.
基金the National Natural Science Foundations of China (21104044)the National Basic Research Program of China (973 Program, 2013CB834701 and 2013CB834704)+1 种基金the Ph.D. Programs Foundation of Ministry of Education of China (20110073120040)the Shanghai Leading Academic Discipline Project (B202). W.Z.Y. thanks the Start-up Foundation and SMC-Chenxing Young Scholar Pro- gram of Shanghai Jiao Tong University.
文摘Efficient room temperature phosphorescence (RTP) is rarely observed in pure organic luminogens. However, we have newly observed that benzil and its derivatives are nonluminescent in solvents and thin layer chromatography (TLC) plates, but become highly phosphorescent in crystal state at room temperature, exhibiting typical crystallization-induced phosphorescence (CIP) characteristics. The CIP phenomenon is ascribed to the restriction of intramolecular rotations in crystals owing to effective intermolecular interactions. Such intermolecular interactions greatly rigidify the molecular conformation and significantly decrease the nonradiative deactivation channels of the triplet excitons, thus giving boosted phosphorescent emission at room temperature.
基金Supported in part by the National Natural Science Foundation of China under Grant No. 11175090the Fundamental Research Funds for the Central Universities under Grant No. 65030021
文摘Two non-Hermitian PT-symmetric Hamiltonian systems are reconsidered by means of the algebraic method which was originally proposed for the pseudo-Hermitian Hamiltonian systems rather than for the PT-symmetric ones.Compared with the way converting a non-Hermitian Hamiltonian to its Hermitian counterpart,this method has the merit that keeps the Hilbert space of the non-Hermitian PT-symmetric Hamiltonian unchanged.In order to give the positive definite inner product for the PT-symmetric systems,a new operator V,instead of C,can be introduced.The operator V has the similar function to the operator C adopted normally in the PT-symmetric quantum mechanics,however,it can be constructed,as an advantage,directly in terms of Hamiltonians.The spectra of the two non-Hermitian PT-symmetric systems are obtained,which coincide with that given in literature,and in particular,the Hilbert spaces associated with positive definite inner products are worked out.