Six quinine-porphyrin Mn? complexes was synthesized by a certain of new chiral quinine-porphyrin.Their catalytic properties for the epoxidation of olefins in two-phase system (CH 2Cl 2/H 2O) were studies.The result in...Six quinine-porphyrin Mn? complexes was synthesized by a certain of new chiral quinine-porphyrin.Their catalytic properties for the epoxidation of olefins in two-phase system (CH 2Cl 2/H 2O) were studies.The result indicated these not only can enhance catalyzing activity,but also showed obvious phase-transfer function.That the reaction condition had affacfed the results of epoxidation.展开更多
A comprehensive single particle model which includes the mesoscale and microscale models was developed to study the influence of particle diameter on mass and heat transfer occurring within a ferrite catalyst during t...A comprehensive single particle model which includes the mesoscale and microscale models was developed to study the influence of particle diameter on mass and heat transfer occurring within a ferrite catalyst during the oxidative dehydrogenation of butene to butadiene process. The verified model can be used to investigate the influence of catalyst diameter on the flow distribution inside the particle. The simulation results demonstrate that the mass fraction gradients of all species, temperature gradient and pressure gradient increase with the increase of the particle diameter. It means that there is a high intraparticle transfer resistance and strong diffusion when applying the large catalysts. The external particle mass transfer resistance is nearly constant under different particle diameters so that the effect of particle diameter at external diffusion can be ignored. A large particle diameter can lead to a high surface temperature, which indicates the external heat transfer resistance. Moreover, the selectivity of reaction may be changed with a variety of particle diameters so that choosing appropriate particle size can enhance the production of butadiene and optimize the reaction process.展开更多
The direct synthesis of C2 hydrocarbons （ethylene, acetylene and ethane） from methane is one of the most important task in C1 chemistry. Higher conversion of methane and selectivity to C2 hydrocarbons can be real-iz...The direct synthesis of C2 hydrocarbons （ethylene, acetylene and ethane） from methane is one of the most important task in C1 chemistry. Higher conversion of methane and selectivity to C2 hydrocarbons can be real-ized through plasma reaction. In order to explore the reaction process and mechanism, the possible reaction paths （1）—（4） were proposed on coupling reaction of methane through plasma and studied theoretically using semi-PM3 method [PM3 is parameterization method of modified neglect of diatomic overlap （MNDO）] including determining the transition state, calculating the activation energy and thermodynamic state functions and analyzing the bond or-der and intrinsic reaction coordinate. The reaction heat results indicate that the reactions （2） and （4） are exothermic, while reactions of （1） and （3） are endothermic. The activation energy results show that activation energy for reac-tions （1） and （2） was much lower than that of reaction paths （3） and （4）. Therefore, paths （1） and （2） is the favorable reaction path energetically. More interestingly by comparing the intrinsic reaction coordinated （IRC） of the reaction paths （1） and （2）, it is found that the variations of bond lengths in reaction path （1） has a crucial effect on the poten-tial energy, while in reaction path （2）, the adjustment of the system geometry also contributes to the whole potential energy of the system.展开更多
Inter-domain path computing is one big issue in multi-domain networks. The Hierarchical Path Computing Element (H-PCE) is a semi-central architecture for computing inter-domain path. To facilitate H-PCE in inter-domai...Inter-domain path computing is one big issue in multi-domain networks. The Hierarchical Path Computing Element (H-PCE) is a semi-central architecture for computing inter-domain path. To facilitate H-PCE in inter-domain path computing, this paper proposed a topology aggregation scheme to abstract the edge nodes and their connected inter-domain link as one vertex to achieve more optimal paths and confidentiality guarantee. The effectiveness of the scheme has been demonstrated on solving wavelength routing in multi-domain Wavelength Division Multiplexing (WDM) network via simulation. Simulation results show that this scheme reduces at least 10% inter-domain blocking probability, compared with the traditional Domain-to-the-Node (DtN) scheme.展开更多
We constructed and characterized a normalized cDNA library of Nannochloropsis oculata CS-179,and obtained 905 nonredundant sequences(NRSs) ranging from 431-1 756 bp in length.Among them,496 were very similar to nonred...We constructed and characterized a normalized cDNA library of Nannochloropsis oculata CS-179,and obtained 905 nonredundant sequences(NRSs) ranging from 431-1 756 bp in length.Among them,496 were very similar to nonredundant ones in the GenBank(E ≤1.0e-05),and 349 ESTs had significant hits with the clusters of eukaryotic orthologous groups(KOG).Bases G and/or C at the third position of codons of 14 amino acid residues suggested a strong bias in the conserved domain of 362 NRSs(>60%).We also identified the unigenes encoding phosphorus and nitrogen transporters,suggesting that N.oculata could efficiently transport and metabolize phosphorus and nitrogen,and recognized the unigenes that involved in biosynthesis and storage of both fatty acids and polyunsaturated fatty acids(PUFAs),which will facilitate the demonstration of eicosapentaenoic acid(EPA) biosynthesis pathway of N.oculata.In comparison with the original cDNA library,the normalized library significantly increased the efficiencies of random sequencing and rarely expressed genes discovering,and decreased the frequency of abundant gene sequences.展开更多
The potential energy surfaces for butanone isomerization have been investigated by density function theory calculation. Six main reaction pathways are confirmed using the intrinsic reaction coordinate method, and the ...The potential energy surfaces for butanone isomerization have been investigated by density function theory calculation. Six main reaction pathways are confirmed using the intrinsic reaction coordinate method, and the corresponding isomerization products are 1-buten-2-ol, 2-buten-2-ol, butanal or 1-buten-l-ol, methyl 1-propenyl ether, methyl allyl ether, and ethyl vinyl ether, respectively. Among them, there are three pathways through butylene oxide, indicating butylene oxide is an important intermediate product during butanone isomer ization. The calculated vertical ionization energies of the reactant and its products are in a good agreement with the experimental values available. From the consideration for the relative energies Of transition states and the number of high-energy barriers we infer that the reaction pathway butanone-＊l-buten-2-ol---2-buten-2-oi is the most competitive. The obtained results are informative for future studies on isomerization of ketone molecules.展开更多
Photodeachment of H^-near a reflective spherical surface was studied by Haneef et al.[J.Phys.B:At.Mol.Opt.Phys.44(2011)195004]using a theoretical imaging method.The total cross section displays interesting oscillation...Photodeachment of H^-near a reflective spherical surface was studied by Haneef et al.[J.Phys.B:At.Mol.Opt.Phys.44(2011)195004]using a theoretical imaging method.The total cross section displays interesting oscillations.Here we re-examine the total photodetachment cross section of this system by directly applying the standard closed-orbit theory.Our result for the total cross section differs from the result obtained by Haneef et al.The difference between the two results vanishes in the limit of large radius of the reflective sphere.We argue that the theoretical imaging method developed originally for photodetachment near a Hat surface can not be directly applied to the present system.展开更多
Verticillium dahliae is a soil-borne phytopathogenic fungus that causes vascular wilt disease in a broad range of hosts. This pathogen survives for many years in soil in the form ofmelanized microsclerotia. To investi...Verticillium dahliae is a soil-borne phytopathogenic fungus that causes vascular wilt disease in a broad range of hosts. This pathogen survives for many years in soil in the form ofmelanized microsclerotia. To investigate the melanin synthesis in V.. dahliae, we identified a polyketide synthase gene in V. dahliae, namely VdPKS1. PKS1 is known to involve in the dihydroxynaphthalene melanin synthesis pathway in many fungi. We found that VdPKS1 was required for melanin formation but not for microsclerotial production in E dahliae. The VdPKS1 gene-disruption mutant （vdpksl） formed melanin-deficient albino microsclerotia, which did not affect the fungal colonization in host tissues but significantly reduced the disease severity. Gene transcription analysis in the wild-type and the vdpks1 strains suggested that VdPKS1 gene-disruption influenced the expression of a series of genes involved in ethylene biosynthesis, microsclerotial formation and pathogenesis. Our results suggest that the VdPKS1-mediated melanin synthesis is important for virulence and developmental traits of E dahliae.展开更多
Soil erosion affects soil productivity and environmental quality.A laboratory research experiment under simulated heavy rainfall with tap water was conducted to investigate the effects of anionic polyacrylamide(PAM) a...Soil erosion affects soil productivity and environmental quality.A laboratory research experiment under simulated heavy rainfall with tap water was conducted to investigate the effects of anionic polyacrylamide(PAM) application rates(0,0.5,1.0,and 2.0 g m-2) and molecular weights(12 and 18 Mg mol-1) on runoff,soil erosion,and soil nutrient loss at a slope of 5°.The results showed the two lower rates of PAM application decreased runoff while the highest rate increased runoff as compared with the control.Sediment concentration and soil mass loss increased significantly with the increasing PAM application rate.Compared with the control,PAM application decreased K+,NH4+,and NO3-concentrations in sediment and K+ and NH+4 concentrations in runoff,but significantly increased the mass losses of K+,NH4+,and NO-3 over soil surface except for the NH4+ at PAM application rate lower than 1.0 g m-2.PAM application decreased the proportion of K+ loss with runoff to its total mass loss over soil surface from 60.1% to 16.4%.However,it did not affect the NH4+ and NO3-losses with runoff,and more than 86% of them were lost with runoff.A higher PAM molecular weight resulted in less soil erosion and K+ mass loss but had little effect on runoff and NH+4 and NO3-losses.PAM application did not prevent soil erosion and the mass losses of K+ and NO3-under experimental conditions.展开更多
文摘Six quinine-porphyrin Mn? complexes was synthesized by a certain of new chiral quinine-porphyrin.Their catalytic properties for the epoxidation of olefins in two-phase system (CH 2Cl 2/H 2O) were studies.The result indicated these not only can enhance catalyzing activity,but also showed obvious phase-transfer function.That the reaction condition had affacfed the results of epoxidation.
基金The National Science Foundation of China(No.2157604921576050)the Fundamental Research Funds for the Central Universities(No.2242014K10025)
文摘A comprehensive single particle model which includes the mesoscale and microscale models was developed to study the influence of particle diameter on mass and heat transfer occurring within a ferrite catalyst during the oxidative dehydrogenation of butene to butadiene process. The verified model can be used to investigate the influence of catalyst diameter on the flow distribution inside the particle. The simulation results demonstrate that the mass fraction gradients of all species, temperature gradient and pressure gradient increase with the increase of the particle diameter. It means that there is a high intraparticle transfer resistance and strong diffusion when applying the large catalysts. The external particle mass transfer resistance is nearly constant under different particle diameters so that the effect of particle diameter at external diffusion can be ignored. A large particle diameter can lead to a high surface temperature, which indicates the external heat transfer resistance. Moreover, the selectivity of reaction may be changed with a variety of particle diameters so that choosing appropriate particle size can enhance the production of butadiene and optimize the reaction process.
基金Supported by the National Natural Science Foundation of China (No.20606023).
文摘The direct synthesis of C2 hydrocarbons （ethylene, acetylene and ethane） from methane is one of the most important task in C1 chemistry. Higher conversion of methane and selectivity to C2 hydrocarbons can be real-ized through plasma reaction. In order to explore the reaction process and mechanism, the possible reaction paths （1）—（4） were proposed on coupling reaction of methane through plasma and studied theoretically using semi-PM3 method [PM3 is parameterization method of modified neglect of diatomic overlap （MNDO）] including determining the transition state, calculating the activation energy and thermodynamic state functions and analyzing the bond or-der and intrinsic reaction coordinate. The reaction heat results indicate that the reactions （2） and （4） are exothermic, while reactions of （1） and （3） are endothermic. The activation energy results show that activation energy for reac-tions （1） and （2） was much lower than that of reaction paths （3） and （4）. Therefore, paths （1） and （2） is the favorable reaction path energetically. More interestingly by comparing the intrinsic reaction coordinated （IRC） of the reaction paths （1） and （2）, it is found that the variations of bond lengths in reaction path （1） has a crucial effect on the poten-tial energy, while in reaction path （2）, the adjustment of the system geometry also contributes to the whole potential energy of the system.
基金Acknowledgements This work was supported by Chang Jiang Scholars Program of the Ministry of Education of China, National Science Fund for Distinguished Young Scholars under Grant No.60725104 the National Basic Research Program of China under Grant No. 2007CB310706+2 种基金 the National Natural Science Foundation of China under Ca＇ant No. 60932002, No. 60932005, No. 61071101 the Hi-Tech Research and Development Program of China under Grant No. 2009AA01Z254, No. 2009AA01Z215 NCEF Program of MoE of China, and Sichuan Youth Science and Technology Foundation under Crant No. 09ZQ026-032.
文摘Inter-domain path computing is one big issue in multi-domain networks. The Hierarchical Path Computing Element (H-PCE) is a semi-central architecture for computing inter-domain path. To facilitate H-PCE in inter-domain path computing, this paper proposed a topology aggregation scheme to abstract the edge nodes and their connected inter-domain link as one vertex to achieve more optimal paths and confidentiality guarantee. The effectiveness of the scheme has been demonstrated on solving wavelength routing in multi-domain Wavelength Division Multiplexing (WDM) network via simulation. Simulation results show that this scheme reduces at least 10% inter-domain blocking probability, compared with the traditional Domain-to-the-Node (DtN) scheme.
基金Supported by National Key Technology R&D Program in the 11th-Five-Year Plan of China(No.2006BAD09A03-2)National High Technology Research and Development of China(863 Program)(No.2007AA09Z427)
文摘We constructed and characterized a normalized cDNA library of Nannochloropsis oculata CS-179,and obtained 905 nonredundant sequences(NRSs) ranging from 431-1 756 bp in length.Among them,496 were very similar to nonredundant ones in the GenBank(E ≤1.0e-05),and 349 ESTs had significant hits with the clusters of eukaryotic orthologous groups(KOG).Bases G and/or C at the third position of codons of 14 amino acid residues suggested a strong bias in the conserved domain of 362 NRSs(>60%).We also identified the unigenes encoding phosphorus and nitrogen transporters,suggesting that N.oculata could efficiently transport and metabolize phosphorus and nitrogen,and recognized the unigenes that involved in biosynthesis and storage of both fatty acids and polyunsaturated fatty acids(PUFAs),which will facilitate the demonstration of eicosapentaenoic acid(EPA) biosynthesis pathway of N.oculata.In comparison with the original cDNA library,the normalized library significantly increased the efficiencies of random sequencing and rarely expressed genes discovering,and decreased the frequency of abundant gene sequences.
文摘The potential energy surfaces for butanone isomerization have been investigated by density function theory calculation. Six main reaction pathways are confirmed using the intrinsic reaction coordinate method, and the corresponding isomerization products are 1-buten-2-ol, 2-buten-2-ol, butanal or 1-buten-l-ol, methyl 1-propenyl ether, methyl allyl ether, and ethyl vinyl ether, respectively. Among them, there are three pathways through butylene oxide, indicating butylene oxide is an important intermediate product during butanone isomer ization. The calculated vertical ionization energies of the reactant and its products are in a good agreement with the experimental values available. From the consideration for the relative energies Of transition states and the number of high-energy barriers we infer that the reaction pathway butanone-＊l-buten-2-ol---2-buten-2-oi is the most competitive. The obtained results are informative for future studies on isomerization of ketone molecules.
基金Supported by National Natural Science Foundation of China under Grant Nos.11474079 and 11421063
文摘Photodeachment of H^-near a reflective spherical surface was studied by Haneef et al.[J.Phys.B:At.Mol.Opt.Phys.44(2011)195004]using a theoretical imaging method.The total cross section displays interesting oscillations.Here we re-examine the total photodetachment cross section of this system by directly applying the standard closed-orbit theory.Our result for the total cross section differs from the result obtained by Haneef et al.The difference between the two results vanishes in the limit of large radius of the reflective sphere.We argue that the theoretical imaging method developed originally for photodetachment near a Hat surface can not be directly applied to the present system.
基金supported by the Strategic Priority Research Program of the Chinese Academy of Sciences(XDB11040500)the National Natural Science Foundation of China(31160351,311060350)Basic Research Projects of Xingjiang Production and Construction Corps(2016AG001)
文摘Verticillium dahliae is a soil-borne phytopathogenic fungus that causes vascular wilt disease in a broad range of hosts. This pathogen survives for many years in soil in the form ofmelanized microsclerotia. To investigate the melanin synthesis in V.. dahliae, we identified a polyketide synthase gene in V. dahliae, namely VdPKS1. PKS1 is known to involve in the dihydroxynaphthalene melanin synthesis pathway in many fungi. We found that VdPKS1 was required for melanin formation but not for microsclerotial production in E dahliae. The VdPKS1 gene-disruption mutant （vdpksl） formed melanin-deficient albino microsclerotia, which did not affect the fungal colonization in host tissues but significantly reduced the disease severity. Gene transcription analysis in the wild-type and the vdpks1 strains suggested that VdPKS1 gene-disruption influenced the expression of a series of genes involved in ethylene biosynthesis, microsclerotial formation and pathogenesis. Our results suggest that the VdPKS1-mediated melanin synthesis is important for virulence and developmental traits of E dahliae.
基金Supported by the National Natural Science Foundation of China (No.40635027)the Fund of State Key Laboratory of Soil Erosion and Dryland Farming on the Loess Plateau,China (No.10501-169)
文摘Soil erosion affects soil productivity and environmental quality.A laboratory research experiment under simulated heavy rainfall with tap water was conducted to investigate the effects of anionic polyacrylamide(PAM) application rates(0,0.5,1.0,and 2.0 g m-2) and molecular weights(12 and 18 Mg mol-1) on runoff,soil erosion,and soil nutrient loss at a slope of 5°.The results showed the two lower rates of PAM application decreased runoff while the highest rate increased runoff as compared with the control.Sediment concentration and soil mass loss increased significantly with the increasing PAM application rate.Compared with the control,PAM application decreased K+,NH4+,and NO3-concentrations in sediment and K+ and NH+4 concentrations in runoff,but significantly increased the mass losses of K+,NH4+,and NO-3 over soil surface except for the NH4+ at PAM application rate lower than 1.0 g m-2.PAM application decreased the proportion of K+ loss with runoff to its total mass loss over soil surface from 60.1% to 16.4%.However,it did not affect the NH4+ and NO3-losses with runoff,and more than 86% of them were lost with runoff.A higher PAM molecular weight resulted in less soil erosion and K+ mass loss but had little effect on runoff and NH+4 and NO3-losses.PAM application did not prevent soil erosion and the mass losses of K+ and NO3-under experimental conditions.
