Edible mushroom proteins are the promising ones with the advantages of complete essential amino acid profile and multiple functional activities.To reinforce their applications in functional food development,this study...Edible mushroom proteins are the promising ones with the advantages of complete essential amino acid profile and multiple functional activities.To reinforce their applications in functional food development,this study comprehensively evaluated the physicochemical and functional properties of protein isolates from 5 mushroom species,i.e.,Pleurotus eryngii(PEP),Pleurotus ostreatus(POP),Lentinula edodes(LEP),Flammulina velutipes(FVP)and Hypsizygus marmoreus(HMP).Results showed that PEP,LEP,FVP,POP and HMP exhibited better protein solubility(PS),water holding capacity(WHC),emulsification activity index(EAI),and foaming capacity(FC)than those of soybean protein and pea protein isolates(PPI).PEP(51.95%)and POP(49.15%)had a higher amount ofβ-sheet structure.Principal component analysis and correlation analysis showed that the seven proteins could be divided into 3 clusters,and WHC,EAI and FC were significantly positively correlated with PS andβ-sheet.The least gelation concentration of PEP(16%)and FVP(16%)at p H 6.0 and 7.0 was similar to PPI,and PEP showed better hardness,springiness and rheological properties than other proteins gels.Overall,our study showed that 5 edible mushroom proteins possessed excellent functionalities(except for gelling capacity),which provided novel insights on unexploited sources of mushroom proteins used as protein-based foods in the food industry.展开更多
Soybean protein has high nutritional value, but its functional properties are easily affected by external factors,which limits its application in food industry. In the study, soybean protein isolate(SPI) was modified ...Soybean protein has high nutritional value, but its functional properties are easily affected by external factors,which limits its application in food industry. In the study, soybean protein isolate(SPI) was modified by dry heat glycation of galactooligosaccharides(GOS). The gel properties, antioxidant properties and structural changes of SPI-GOS conjugates were investigated. The application of SPI-GOS conjugates in noodles was also explored. The results observed that the glycation degree of SPI increased with the increasing reaction time. SDS-PAGE and spectral analysis showed the changes of spatial conformation of SPI after glycation. The antioxidant activity of SPI increased after glycation and DPPH radical scavenging activity of SPI-GOS peaked at 48 h of reaction. The hardness, elasticity and resilience of soybean protein gel reached their relative maximum at 48 h, 48 h and 12 h of glycation reaction, respectively. Moreover, the appropriate addition of glycated SPI improved the quality of noodles. The noodles with 4% addition of SPI-GOS had higher hardness, elasticity and tensile properties. This study will provide an effective method to modify soybean protein and expand the use of soybean protein in food industry.展开更多
The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this wo...The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.展开更多
For functional difference equations with unbounded delay,we characterized the existence of totally stable and asymptotically almost periodic solution by using stability properties of a bounded solution in a certain li...For functional difference equations with unbounded delay,we characterized the existence of totally stable and asymptotically almost periodic solution by using stability properties of a bounded solution in a certain limiting equation.展开更多
The phase transition of gallium phosphide （GAP） from zinc-blende （ZB） to a rocksalt （RS） structure is investigated by the plane-wave pseudopotential density functional theory （DFT）. Lattice constant a0, elasti...The phase transition of gallium phosphide （GAP） from zinc-blende （ZB） to a rocksalt （RS） structure is investigated by the plane-wave pseudopotential density functional theory （DFT）. Lattice constant a0, elastic constants cij, bulk modulus B0 and the pressure derivative of bulk modulus B0 are calculated. The results are in good agreement with numerous experimental and theoretical data. From the usual condition of equal enthalpies, the phase transition from the ZB to the RS structure occurs at 21.9 GPa, which is close to the experimental value of 22.0 GPa. The elastic properties of GaP with the ZB structure in a pressure range from 0 GPa to 21.9 GPa and those of the RS structure in a pressure range of pressures from 21.9 GPa to 40 GPa are obtained. According to the quasi-harmonic Debye model, in which the phononic effects are considered, the normalized volume V/Vo, the Debye temperature 8, the heat capacity Cv and the thermal expansion coefficient a are also discussed in a pressure range from 0 CPa to 40 GPa and a temperature range from 0 K to 1500 K.展开更多
It has been reported that fresh edible rice has more bioactive compounds and its protein is easier to digest and has lower hypoallergenic than mature rice. In this paper, the changes in structure and functional proper...It has been reported that fresh edible rice has more bioactive compounds and its protein is easier to digest and has lower hypoallergenic than mature rice. In this paper, the changes in structure and functional properties of proteins at five different stages, including early milky stage(EMS), middle milky stage(MMS), late milky stage(LMS), waxy ripe stage(WS)and ripening stage(RS), during the seed development were investigated. It was found that with the seed developing, the molecular weight of fresh rice protein gradually become larger while the secondary structure changed from the highest content of disordered structure at MMS to the highest content of ordered structure at RS, which affect the surface hydrophobicity and then the functional properties of proteins, including foaming properties, emulsifying properties and oil holding capacity. Fresh rice protein at MMS has the strongest surface hydrophobicity while fresh edible rice protein at RS has the strongest oil holding capability. The results of our study can provide a theoretical basis for the application of fresh rice protein in the food industry and help to develop new fresh edible rice food.展开更多
A first-principles density functional approach is used to study the electronic and the elastic properties of Nb15X （X = Ti, Zr, Hf, V, Ta, Cr, Mo, and W） alloys. The elastic constants cn and c12, the shear modulus C...A first-principles density functional approach is used to study the electronic and the elastic properties of Nb15X （X = Ti, Zr, Hf, V, Ta, Cr, Mo, and W） alloys. The elastic constants cn and c12, the shear modulus CI, and the elastic modulus E（lOO） are found to exhibit similar tendencies, each as a function of valence electron number per atom （EPA）, while c44 seems unclear. Both cu and c12 of Nb15X alloys increase monotonically with the increase of EPA. The C/ and E000） also show similar tendencies. The elastic constants （except c44） increase slightly when alloying with neighbours of a higher d-transition series. Our results are supported by the bonding density distribution. When solute atoms change from Ti（Zr, Hf） to V（Ta） then to Cr（Mo, W）, the bonding electron density between the central solute atom and its first neighbouring Nb atoms is increased and becomes more anisotropic, which indicates the strong interaction and thus enhances the elastic properties of Nb-Cr（Mo, W） alloys. Under uniaxial {100） tensile loading, alloyed elements with less （more） valence electrons decrease （increase） the ideal tensile strength.展开更多
Three pectin fractions(water-soluble fraction(WSF),chelator-soluble fraction(CSF),and sodium carbonatesoluble fraction(NSF))were obtained from Chinese dwarf cherry(Cerasus humilis)fruits.All of them were branched low ...Three pectin fractions(water-soluble fraction(WSF),chelator-soluble fraction(CSF),and sodium carbonatesoluble fraction(NSF))were obtained from Chinese dwarf cherry(Cerasus humilis)fruits.All of them were branched low methoxylated pectins with an amorphous or partially nanocrystalline nature and eight neutral monosaccharides(arabinose and galactose were most abundant).WSF,CSF and NSF had a degree of methylation(DM)of 35.82%,14.85%and 7.13%,uronic acid(UA)content of 76.02%,83.71%and 69.01%,and total protein content of 2.4%,2.1%and 8.8%,respectively.Their molecular weights were 340.31,330.16 and 141.31 kg/mol,respectively(analyzed by gel permeation chromatography(GPC)).WSF,CSF and NSF exhibited good rheological,thermal,emulsifying,emulsion-stabilizing,water-adsorbing,oil-binding,cholesterol-binding and antioxidant properties.NSF had the highest emulsifying,emulsion stabilizing,water-/oil-/cholesterol-binding and antioxidant capacities,followed by CSF.NSF had the highest viscosity(406.77 m Pa·s),flowability,and resistance to heat-induced changes/damage,which may be related to its lowest polydispersity index,DM and UA content and highest protein content.The three pectin fractions with desirable characteristics can be used as food additives/ingredients and dietary supplements.展开更多
This paper discusses some statistical properties of the superposition of two coherent states with a vacuum state, such as sub-Poissonian photon statistics and negativity of the Wigner function. Phase probability distr...This paper discusses some statistical properties of the superposition of two coherent states with a vacuum state, such as sub-Poissonian photon statistics and negativity of the Wigner function. Phase probability distribution and phase variance are calculated. Special cases of the constructed superposition states are presented. The results show that depending on the vacuum state coefficient γ and the coherent state coefficient a, it can generate a variety of nonclassical states.展开更多
This paper uses the generalised gradient approximation based on density functional theory to analyse the geometric structure and properties of the 3d transition metal atom doped endohedral fullerene M@C20F20 （M = Sc...This paper uses the generalised gradient approximation based on density functional theory to analyse the geometric structure and properties of the 3d transition metal atom doped endohedral fullerene M@C20F20 （M = Sc-Ni）. The geometric optimization shows that the cage centre is the most stable position for M, forming the structure named as M@C20F20-4. The inclusion energy, zero-point energy, and energy gap calculations tell us that Ni@C20F20-4 should be thermodynamically and kinetically stablest. M@C20F20-4 （M = Sc-Co） possesses high magnetic moments varied from 1 to 6 μB, while Ni@C20F20-4 is nonmagnetic. The Ni-C bond in Ni@C20F20-4 contains both the covalent and ionic characters.展开更多
The present investigation was aimed to study functional properties,antioxidant activity and in-vitro digestibility characteristics of brown and polished flours obtained from four rice cultivars(SR-4,K-39,Mushq Budij a...The present investigation was aimed to study functional properties,antioxidant activity and in-vitro digestibility characteristics of brown and polished flours obtained from four rice cultivars(SR-4,K-39,Mushq Budij and Zhag)of Kashmir.Brown rice flours had higher total dietary fibre(3.08%-3.68%),oil absorption(116.0%-139.0%),emulsion capacity(4.78%-9.52%),emulsion stability(87.46%-99.93%)and resistant starch content(6.80%-9.00%)than polished flours.However,polished flours presented greater water absorption(102.0%-122.0%),foaming capacity(8.00%-13.63%),apparent amylose(19.16%-22.62%),peak(2260.0-2408.0 cP),trough(1372.0-1589.0 cP)and breakdown(714.0-978.0 cP)viscosities than their brown counterparts.Brown rice flours depicted highest total phenolic content(4.40-6.40 mg GAE/g)and inhibition of lipid peroxidation(19.50%-33.20%).However,equilibrium starch hydrolysis percentage(C∞)and predicted glycemic index of brown rice flours were lower than their polished counterparts.Among rice cultivars,brown Zhag flour had the highest total dietary fibre(3.68%),emulsion capacity(9.52%),emulsion stability(99.93%),resistant starch(9.00%),DPPH radical scavenging activity(85.45%)and inhibition of lipid peroxidation(33.20%),respectively.Emulsion capacity and emulsion stability were positively correlated with protein content of rice flours.However,peak,trough,breakdown and setback viscosities were negatively correlated with protein and fat contents of rice flour.The present investigation will be helpful in identifying nutritive role of rice flours from studied cultivars in human diet.展开更多
The geometries, electronic structures and related properties of SimN8-m（0 〈 m 〈 8） clusters are studied using density functional theory （DFT） with hybrid functional B3LYP. The calculated results reveal several t...The geometries, electronic structures and related properties of SimN8-m（0 〈 m 〈 8） clusters are studied using density functional theory （DFT） with hybrid functional B3LYP. The calculated results reveal several trends. For any stoichiometric clusters, the lowest energy isomers with an alteration of N and Si atoms are favourable in energy if the numbers of Si and N atoms are large enough to form ... Si N-Si-N... alternative chains. The bond lengths of single Si-N bonds are very close to the corresponding values of the bulk and other SiN clusters. The geometries for N-rich and Si4N4 clusters are planar structures, but three-dimensional structures are favourable in energy for Si-rich clusters. With the increase of m, the isotropic polarizability and average polarizability increase, the total binding energies generally decrease, the HOMO-LUMO gap and vertical ionization potential oscillate with increasing number of valence electrons, and their values with even valence electrons are larger than those with odd valence electrons. The atomic charges, IR and Raman properties are also reported.展开更多
Under high pressure, the long believed single-phase material CaB6 was latterly discovered to have a new phase tI56. Based on the density-functional theory, the pressure effects on the structural and elastic properties...Under high pressure, the long believed single-phase material CaB6 was latterly discovered to have a new phase tI56. Based on the density-functional theory, the pressure effects on the structural and elastic properties of CaB6 are obtained. The calculated bulk, shear, and Young’s moduli of the recently synthesized high pressure phase tI56-CaB6 are larger than those of the low pressure phase. Moreover, the high pressure phase of CaB6 has ductile behaviors, and its ductility increases with the increase of pressure. On the contrary, the calculated results indicate that the low pressure phase of CaB6 is brittle. The calculated Debye temperature indicates that the thermal conductivity of CaB6 is not very good. Furthermore, based on the Christoffel equation, the slowness surface of the acoustic waves is obtained.展开更多
The lowest-energy structures and the electronic properties of Mo2nNn （n=1-5） clusters have been studied by using the density functional theory （DFT） simulating package DMol3 in the generalized gradient approximati...The lowest-energy structures and the electronic properties of Mo2nNn （n=1-5） clusters have been studied by using the density functional theory （DFT） simulating package DMol3 in the generalized gradient approximation （GGA）. The resulting equilibrium geometries show that the lowest-energy structures are dominated by central cores which correspond to the ground states of Mon （n = 2, 4, 6, 8, 10） clusters and nitrogen atoms which surround these cores. The average binding energy, the adiabatic electron affinity （AEA）, the vertical electron affinity （VEA）, the adiabatic ionization potential （AIP） and the vertical ionization potential （VIP） of Mo2nNn （n=1-5） clusters have been estimated. The HOMO LUMO gaps reveal that the clusters have strong chemical activities. An analysis of Mulliken charge distribution shows that charge-transfer moves from Mo atoms to N atoms and increases with cluster size.展开更多
Ternary metal chalcogenide semiconductor Ag8 Sn S6, which is an efficient photocatalyst under visible light radiation,is studied by plane-wave pseudopotential density functional theory. After geometry optimization, th...Ternary metal chalcogenide semiconductor Ag8 Sn S6, which is an efficient photocatalyst under visible light radiation,is studied by plane-wave pseudopotential density functional theory. After geometry optimization, the electronic and optical properties are studied. A scissor operator value of 0.81 e V is introduced to overcome the underestimation of the calculation band gaps. The contribution of different bands is analyzed by virtue of total and partial density of states. Furthermore, in order to understand the optical properties of Ag8 Sn S6, the dielectric function, absorption coefficient, and refractive index are also performed in the energy range from 0 to 11 e V. The absorption spectrum indicates that Ag8 Sn S6has a good absorbency in visible light area. Surface energies and work functions of（411）,（4 13）,（21 1）, and（112） orientations have been calculated. These results reveal the reason for an outstanding photocatalytic activity of Ag8 Sn S6.展开更多
The complex Banach spaces X with values in which every bounded holomorphic function in the unit hall B of C-d(d > 1) has boundary limits almost surely are exactly the spaces with the analytic Radon-Nikodym property...The complex Banach spaces X with values in which every bounded holomorphic function in the unit hall B of C-d(d > 1) has boundary limits almost surely are exactly the spaces with the analytic Radon-Nikodym property. The proof is based on inner Hardy martingales introduced here. The inner Hardy martingales are constructed in terms of inner functions in B and are reasonable discrete approximations for the image processes of the holomorphic Brownian motion under X-valued holomorphic functions in B.展开更多
The generalised gradient approximation based on density functional theory is used to study the structural and electronic properties of the endohedral fullerene dimer （N2@C60）2. Four N atoms sit at the cage centres i...The generalised gradient approximation based on density functional theory is used to study the structural and electronic properties of the endohedral fullerene dimer （N2@C60）2. Four N atoms sit at the cage centres in the form of two N2 molecules. The density of states and Mulliken charge analysis explore that the energy levels from 6 to 10 eV are mainly influenced by the N2 molecules.展开更多
The Ira （n=1-13） clusters are studied using the relativistic density functional method with generalized gradient approximation. A series of low-lying structures with different spin multiplicities have been considere...The Ira （n=1-13） clusters are studied using the relativistic density functional method with generalized gradient approximation. A series of low-lying structures with different spin multiplicities have been considered. It is found that all the lowest-energy Ira （n=4-13） geometries prefer non-compact structures rather than compact structure growth pattern. And the cube structure is a very stable cell for the lowest-energy Ira （n 〉 8） clusters. The second-order difference of energy, the vertical ionization potentials, the electron affinities and the atomic average magnetic moments for the lowest-energy Ira geometries all show odd even alternative behaviours.展开更多
This study aimed to analyze the effect of lipid peroxidation on the allergenicity and functional properties of soybeanβ-conglycinin(7 S)and glycinin(11 S).Oxidation complexes were determined using the lipid peroxidat...This study aimed to analyze the effect of lipid peroxidation on the allergenicity and functional properties of soybeanβ-conglycinin(7 S)and glycinin(11 S).Oxidation complexes were determined using the lipid peroxidation method.Functional properties were analyzed based on emulsifying and foaming properties.The potential allergenicity was evaluated by in vitro and in vivo methods.The results found that oxidation altered structures of the proteins and resulted in the formation of cross-linked protein polymers.The emulsion and foaming properties of the proteins were improved after oxidation.The IgE-binding capacity of 7 S and11 S reduced after oxidation.KU812 cell assays showed that both histamine and IL-4 release decreased after oxidation treatment.A mouse model showed that oxidation reduced the IgE,IgG,and IgG1 levels,as well as reduced histamine and mMCP-1 release in serum,which might suppress the allergic reaction.In conclusion,the lipid peroxidation treatment likely causes changes to the functional properties of soybean,decreasing the potential allergenicity of 7 S and 11 S.展开更多
基金supported by the special fund of Jiangsu Province for the transformation of scientific and technological achievements(BA2021062)Jiangsu agricultural science and technology independent innovation fund(CX(22)2007)。
文摘Edible mushroom proteins are the promising ones with the advantages of complete essential amino acid profile and multiple functional activities.To reinforce their applications in functional food development,this study comprehensively evaluated the physicochemical and functional properties of protein isolates from 5 mushroom species,i.e.,Pleurotus eryngii(PEP),Pleurotus ostreatus(POP),Lentinula edodes(LEP),Flammulina velutipes(FVP)and Hypsizygus marmoreus(HMP).Results showed that PEP,LEP,FVP,POP and HMP exhibited better protein solubility(PS),water holding capacity(WHC),emulsification activity index(EAI),and foaming capacity(FC)than those of soybean protein and pea protein isolates(PPI).PEP(51.95%)and POP(49.15%)had a higher amount ofβ-sheet structure.Principal component analysis and correlation analysis showed that the seven proteins could be divided into 3 clusters,and WHC,EAI and FC were significantly positively correlated with PS andβ-sheet.The least gelation concentration of PEP(16%)and FVP(16%)at p H 6.0 and 7.0 was similar to PPI,and PEP showed better hardness,springiness and rheological properties than other proteins gels.Overall,our study showed that 5 edible mushroom proteins possessed excellent functionalities(except for gelling capacity),which provided novel insights on unexploited sources of mushroom proteins used as protein-based foods in the food industry.
基金the National Natural Science Foundation of China (31871748)Natural Science Foundation of Henan Province (242300421317, 242300420462)+2 种基金the Project of Henan University of Technology Excellent Young Teachers (21420064)Zhengzhou Science and Technology Collaborative Innovation Project (21ZZXTCX17)China Postdoctoral Science Fundation (2021M701112) for the financial support。
文摘Soybean protein has high nutritional value, but its functional properties are easily affected by external factors,which limits its application in food industry. In the study, soybean protein isolate(SPI) was modified by dry heat glycation of galactooligosaccharides(GOS). The gel properties, antioxidant properties and structural changes of SPI-GOS conjugates were investigated. The application of SPI-GOS conjugates in noodles was also explored. The results observed that the glycation degree of SPI increased with the increasing reaction time. SDS-PAGE and spectral analysis showed the changes of spatial conformation of SPI after glycation. The antioxidant activity of SPI increased after glycation and DPPH radical scavenging activity of SPI-GOS peaked at 48 h of reaction. The hardness, elasticity and resilience of soybean protein gel reached their relative maximum at 48 h, 48 h and 12 h of glycation reaction, respectively. Moreover, the appropriate addition of glycated SPI improved the quality of noodles. The noodles with 4% addition of SPI-GOS had higher hardness, elasticity and tensile properties. This study will provide an effective method to modify soybean protein and expand the use of soybean protein in food industry.
文摘The microstructures and thermodynamic properties of mixed systems comprising pyridinium ionic liquid[HPy][BF_(4)]and acetonitrile at different mole fractions were studied using molecular dynamics simulation in this work.The following properties were determined:density,self-diffusion coefficient,excess molar volume,and radial distribution function.The results show that with an increase in the mole fraction of[HPy][BF_(4)],the self-diffusion coefficient decreases.Additionally,the excess molar volume initially decreases,reaches a minimum,and then increases.The rules of radial distribution functions(RDFs)of characteristic atoms are different.With increasing the mole fraction of[HPy][BF_(4)],the first peak of the RDFs of HA1-F decreases,while that of CT6-CT6 rises at first and then decreases.This indicates that the solvent molecules affect the polar and non-polar regions of[HPy][BF_(4)]differently.
文摘For functional difference equations with unbounded delay,we characterized the existence of totally stable and asymptotically almost periodic solution by using stability properties of a bounded solution in a certain limiting equation.
文摘The phase transition of gallium phosphide （GAP） from zinc-blende （ZB） to a rocksalt （RS） structure is investigated by the plane-wave pseudopotential density functional theory （DFT）. Lattice constant a0, elastic constants cij, bulk modulus B0 and the pressure derivative of bulk modulus B0 are calculated. The results are in good agreement with numerous experimental and theoretical data. From the usual condition of equal enthalpies, the phase transition from the ZB to the RS structure occurs at 21.9 GPa, which is close to the experimental value of 22.0 GPa. The elastic properties of GaP with the ZB structure in a pressure range from 0 GPa to 21.9 GPa and those of the RS structure in a pressure range of pressures from 21.9 GPa to 40 GPa are obtained. According to the quasi-harmonic Debye model, in which the phononic effects are considered, the normalized volume V/Vo, the Debye temperature 8, the heat capacity Cv and the thermal expansion coefficient a are also discussed in a pressure range from 0 CPa to 40 GPa and a temperature range from 0 K to 1500 K.
基金the financial support from the Postdoctoral Research Project of Heilongjiang Provincial Department of Human Resources and Social Security (LBH-Q21156)Heilongjiang BaYi Agricultural University Support Program for San Zong San Heng (ZDZX202104)+3 种基金Science Foundation Project of Heilongjiang Province (QC2015028)National Natural Science Foundation of China (32072258)Major Science and technology Program of Heilongjiang (2019ZX08B02,2020ZX08B02)Central financial support for the development of local colleges and universities,Graduate research and innovation project of Harbin University of Commerce (YJSCX2020636HSD)。
文摘It has been reported that fresh edible rice has more bioactive compounds and its protein is easier to digest and has lower hypoallergenic than mature rice. In this paper, the changes in structure and functional properties of proteins at five different stages, including early milky stage(EMS), middle milky stage(MMS), late milky stage(LMS), waxy ripe stage(WS)and ripening stage(RS), during the seed development were investigated. It was found that with the seed developing, the molecular weight of fresh rice protein gradually become larger while the secondary structure changed from the highest content of disordered structure at MMS to the highest content of ordered structure at RS, which affect the surface hydrophobicity and then the functional properties of proteins, including foaming properties, emulsifying properties and oil holding capacity. Fresh rice protein at MMS has the strongest surface hydrophobicity while fresh edible rice protein at RS has the strongest oil holding capability. The results of our study can provide a theoretical basis for the application of fresh rice protein in the food industry and help to develop new fresh edible rice food.
基金Project supported by the National Natural Science Foundation of China(Grant No.50771004)
文摘A first-principles density functional approach is used to study the electronic and the elastic properties of Nb15X （X = Ti, Zr, Hf, V, Ta, Cr, Mo, and W） alloys. The elastic constants cn and c12, the shear modulus CI, and the elastic modulus E（lOO） are found to exhibit similar tendencies, each as a function of valence electron number per atom （EPA）, while c44 seems unclear. Both cu and c12 of Nb15X alloys increase monotonically with the increase of EPA. The C/ and E000） also show similar tendencies. The elastic constants （except c44） increase slightly when alloying with neighbours of a higher d-transition series. Our results are supported by the bonding density distribution. When solute atoms change from Ti（Zr, Hf） to V（Ta） then to Cr（Mo, W）, the bonding electron density between the central solute atom and its first neighbouring Nb atoms is increased and becomes more anisotropic, which indicates the strong interaction and thus enhances the elastic properties of Nb-Cr（Mo, W） alloys. Under uniaxial {100） tensile loading, alloyed elements with less （more） valence electrons decrease （increase） the ideal tensile strength.
文摘Three pectin fractions(water-soluble fraction(WSF),chelator-soluble fraction(CSF),and sodium carbonatesoluble fraction(NSF))were obtained from Chinese dwarf cherry(Cerasus humilis)fruits.All of them were branched low methoxylated pectins with an amorphous or partially nanocrystalline nature and eight neutral monosaccharides(arabinose and galactose were most abundant).WSF,CSF and NSF had a degree of methylation(DM)of 35.82%,14.85%and 7.13%,uronic acid(UA)content of 76.02%,83.71%and 69.01%,and total protein content of 2.4%,2.1%and 8.8%,respectively.Their molecular weights were 340.31,330.16 and 141.31 kg/mol,respectively(analyzed by gel permeation chromatography(GPC)).WSF,CSF and NSF exhibited good rheological,thermal,emulsifying,emulsion-stabilizing,water-adsorbing,oil-binding,cholesterol-binding and antioxidant properties.NSF had the highest emulsifying,emulsion stabilizing,water-/oil-/cholesterol-binding and antioxidant capacities,followed by CSF.NSF had the highest viscosity(406.77 m Pa·s),flowability,and resistance to heat-induced changes/damage,which may be related to its lowest polydispersity index,DM and UA content and highest protein content.The three pectin fractions with desirable characteristics can be used as food additives/ingredients and dietary supplements.
基金supported by the National Natural Science Foundation of China (Grant Nos. 10674038 and 10974039)the National Basic Research Program of China (Grant No. 2006CB302901)
文摘This paper discusses some statistical properties of the superposition of two coherent states with a vacuum state, such as sub-Poissonian photon statistics and negativity of the Wigner function. Phase probability distribution and phase variance are calculated. Special cases of the constructed superposition states are presented. The results show that depending on the vacuum state coefficient γ and the coherent state coefficient a, it can generate a variety of nonclassical states.
基金Project supported by the Research Starting Foundation of Hohai University (Grant No. 2084/40801130)the Natural Science Foundation of Hohai University (Grant Nos. 2008431211 and 2008430311)+2 种基金the Excellent Innovation Personal Support Plan of Hohai Universitythe Basic Scientific Research Foundation of National Centralthe Special Foundation of the Natural Natural Science (Grant No. 10947132)
文摘This paper uses the generalised gradient approximation based on density functional theory to analyse the geometric structure and properties of the 3d transition metal atom doped endohedral fullerene M@C20F20 （M = Sc-Ni）. The geometric optimization shows that the cage centre is the most stable position for M, forming the structure named as M@C20F20-4. The inclusion energy, zero-point energy, and energy gap calculations tell us that Ni@C20F20-4 should be thermodynamically and kinetically stablest. M@C20F20-4 （M = Sc-Co） possesses high magnetic moments varied from 1 to 6 μB, while Ni@C20F20-4 is nonmagnetic. The Ni-C bond in Ni@C20F20-4 contains both the covalent and ionic characters.
基金The authors are thankful to Rice Research Centres of Anantnag and Kupwara,J&K for helping us in getting paddy.
文摘The present investigation was aimed to study functional properties,antioxidant activity and in-vitro digestibility characteristics of brown and polished flours obtained from four rice cultivars(SR-4,K-39,Mushq Budij and Zhag)of Kashmir.Brown rice flours had higher total dietary fibre(3.08%-3.68%),oil absorption(116.0%-139.0%),emulsion capacity(4.78%-9.52%),emulsion stability(87.46%-99.93%)and resistant starch content(6.80%-9.00%)than polished flours.However,polished flours presented greater water absorption(102.0%-122.0%),foaming capacity(8.00%-13.63%),apparent amylose(19.16%-22.62%),peak(2260.0-2408.0 cP),trough(1372.0-1589.0 cP)and breakdown(714.0-978.0 cP)viscosities than their brown counterparts.Brown rice flours depicted highest total phenolic content(4.40-6.40 mg GAE/g)and inhibition of lipid peroxidation(19.50%-33.20%).However,equilibrium starch hydrolysis percentage(C∞)and predicted glycemic index of brown rice flours were lower than their polished counterparts.Among rice cultivars,brown Zhag flour had the highest total dietary fibre(3.68%),emulsion capacity(9.52%),emulsion stability(99.93%),resistant starch(9.00%),DPPH radical scavenging activity(85.45%)and inhibition of lipid peroxidation(33.20%),respectively.Emulsion capacity and emulsion stability were positively correlated with protein content of rice flours.However,peak,trough,breakdown and setback viscosities were negatively correlated with protein and fat contents of rice flour.The present investigation will be helpful in identifying nutritive role of rice flours from studied cultivars in human diet.
基金supported by the National Natural Science Foundation of China (Grant Nos 10647006 and 10547007)the Natural Science Foundation of Gansu Province of China (Grant No 3ZS042-B25-023)the Prominent Youth Foundation (Grant No Q200704) of LUT and the Scientific Developmental Foundation of LUT
文摘The geometries, electronic structures and related properties of SimN8-m（0 〈 m 〈 8） clusters are studied using density functional theory （DFT） with hybrid functional B3LYP. The calculated results reveal several trends. For any stoichiometric clusters, the lowest energy isomers with an alteration of N and Si atoms are favourable in energy if the numbers of Si and N atoms are large enough to form ... Si N-Si-N... alternative chains. The bond lengths of single Si-N bonds are very close to the corresponding values of the bulk and other SiN clusters. The geometries for N-rich and Si4N4 clusters are planar structures, but three-dimensional structures are favourable in energy for Si-rich clusters. With the increase of m, the isotropic polarizability and average polarizability increase, the total binding energies generally decrease, the HOMO-LUMO gap and vertical ionization potential oscillate with increasing number of valence electrons, and their values with even valence electrons are larger than those with odd valence electrons. The atomic charges, IR and Raman properties are also reported.
文摘Under high pressure, the long believed single-phase material CaB6 was latterly discovered to have a new phase tI56. Based on the density-functional theory, the pressure effects on the structural and elastic properties of CaB6 are obtained. The calculated bulk, shear, and Young’s moduli of the recently synthesized high pressure phase tI56-CaB6 are larger than those of the low pressure phase. Moreover, the high pressure phase of CaB6 has ductile behaviors, and its ductility increases with the increase of pressure. On the contrary, the calculated results indicate that the low pressure phase of CaB6 is brittle. The calculated Debye temperature indicates that the thermal conductivity of CaB6 is not very good. Furthermore, based on the Christoffel equation, the slowness surface of the acoustic waves is obtained.
基金Project supported by the Science and Technology Innovation Foundation for Graduate Students of Xinjiang Normal University,China (Grant No. 20091205)the Xinjiang Normal University Priority Developing Discipline Foundation,Chinathe National Natural Science Foundation of China (Grant No. 10964012)
文摘The lowest-energy structures and the electronic properties of Mo2nNn （n=1-5） clusters have been studied by using the density functional theory （DFT） simulating package DMol3 in the generalized gradient approximation （GGA）. The resulting equilibrium geometries show that the lowest-energy structures are dominated by central cores which correspond to the ground states of Mon （n = 2, 4, 6, 8, 10） clusters and nitrogen atoms which surround these cores. The average binding energy, the adiabatic electron affinity （AEA）, the vertical electron affinity （VEA）, the adiabatic ionization potential （AIP） and the vertical ionization potential （VIP） of Mo2nNn （n=1-5） clusters have been estimated. The HOMO LUMO gaps reveal that the clusters have strong chemical activities. An analysis of Mulliken charge distribution shows that charge-transfer moves from Mo atoms to N atoms and increases with cluster size.
基金Project supported by the Science and Technology Development Foundation of China(Grant Nos.2012A0302015 and 2012B0302050)
文摘Ternary metal chalcogenide semiconductor Ag8 Sn S6, which is an efficient photocatalyst under visible light radiation,is studied by plane-wave pseudopotential density functional theory. After geometry optimization, the electronic and optical properties are studied. A scissor operator value of 0.81 e V is introduced to overcome the underestimation of the calculation band gaps. The contribution of different bands is analyzed by virtue of total and partial density of states. Furthermore, in order to understand the optical properties of Ag8 Sn S6, the dielectric function, absorption coefficient, and refractive index are also performed in the energy range from 0 to 11 e V. The absorption spectrum indicates that Ag8 Sn S6has a good absorbency in visible light area. Surface energies and work functions of（411）,（4 13）,（21 1）, and（112） orientations have been calculated. These results reveal the reason for an outstanding photocatalytic activity of Ag8 Sn S6.
文摘The complex Banach spaces X with values in which every bounded holomorphic function in the unit hall B of C-d(d > 1) has boundary limits almost surely are exactly the spaces with the analytic Radon-Nikodym property. The proof is based on inner Hardy martingales introduced here. The inner Hardy martingales are constructed in terms of inner functions in B and are reasonable discrete approximations for the image processes of the holomorphic Brownian motion under X-valued holomorphic functions in B.
基金Project supported by the Special Foundation of National Natural Science (Grant No. 10947132)the Fundamental Research Funds for the Central Universities,the Research Starting Foundation of Hohai University (Grant No. 2084/40801130)+1 种基金the Natural Science Foundation of Hohai University (Grant Nos. 2008431211 and 2008430311)the Excellent Innovation Personal Support Plan of Hohai University
文摘The generalised gradient approximation based on density functional theory is used to study the structural and electronic properties of the endohedral fullerene dimer （N2@C60）2. Four N atoms sit at the cage centres in the form of two N2 molecules. The density of states and Mulliken charge analysis explore that the energy levels from 6 to 10 eV are mainly influenced by the N2 molecules.
基金Project supported by the National Natural Science Foundation of China for Young Scientists(Grant No.10904123)the National Natural Science Foundation of China(Grant Nos.10774118 and 10974152)the Special Item Foundation of Educational Committee of Shaanxi Province,China(Grant No.08JK471)
文摘The Ira （n=1-13） clusters are studied using the relativistic density functional method with generalized gradient approximation. A series of low-lying structures with different spin multiplicities have been considered. It is found that all the lowest-energy Ira （n=4-13） geometries prefer non-compact structures rather than compact structure growth pattern. And the cube structure is a very stable cell for the lowest-energy Ira （n 〉 8） clusters. The second-order difference of energy, the vertical ionization potentials, the electron affinities and the atomic average magnetic moments for the lowest-energy Ira geometries all show odd even alternative behaviours.
基金supported in part by the National Natural Science Foundation of China(32172311)Key-Area Research and Development Program of Guangdong Province(2019B020213001)+1 种基金Guangdong Basic and Applied Basic Research Foundation(2021A1515012413)the support from the Instrumental Analysis Center of Shenzhen University(Xili Campus)。
文摘This study aimed to analyze the effect of lipid peroxidation on the allergenicity and functional properties of soybeanβ-conglycinin(7 S)and glycinin(11 S).Oxidation complexes were determined using the lipid peroxidation method.Functional properties were analyzed based on emulsifying and foaming properties.The potential allergenicity was evaluated by in vitro and in vivo methods.The results found that oxidation altered structures of the proteins and resulted in the formation of cross-linked protein polymers.The emulsion and foaming properties of the proteins were improved after oxidation.The IgE-binding capacity of 7 S and11 S reduced after oxidation.KU812 cell assays showed that both histamine and IL-4 release decreased after oxidation treatment.A mouse model showed that oxidation reduced the IgE,IgG,and IgG1 levels,as well as reduced histamine and mMCP-1 release in serum,which might suppress the allergic reaction.In conclusion,the lipid peroxidation treatment likely causes changes to the functional properties of soybean,decreasing the potential allergenicity of 7 S and 11 S.
