The structures of two novel lactams isolated from Clausena lansium were elucidated mainly on the bases of their spectral data. They are homoclausenamide(1),a -lactam,and zetaclausenamide(4), an eight-membered ring lac...The structures of two novel lactams isolated from Clausena lansium were elucidated mainly on the bases of their spectral data. They are homoclausenamide(1),a -lactam,and zetaclausenamide(4), an eight-membered ring lactam.展开更多
During the underground mining of coal resources,overlying rocks on the roof of excavated tunnels will be destroyed due to ground pressure,and as a result,part of them will break and fall into the tunnels.How to determ...During the underground mining of coal resources,overlying rocks on the roof of excavated tunnels will be destroyed due to ground pressure,and as a result,part of them will break and fall into the tunnels.How to determine the distribution of fractured areas and fissures presents a major problem for preserving the overlying aquifer.展开更多
To accomplish their functions, proteins have to achieve different conformations accompanied by conformational transitions. However, the relationship between the preference of amino acids and the stability of the secon...To accomplish their functions, proteins have to achieve different conformations accompanied by conformational transitions. However, the relationship between the preference of amino acids and the stability of the secondary structure is still unclear. Here we perform molecular simulations on a series of helical structures. Our data show that the dissociation energy of the helical structure is related to the preference of amino acids, and the electrostatic repulsion of the residue i and i + 3/4 with the same sign of charge destabilizes the alpha helix.展开更多
The spectral data and chemical properties of two new amides isolated from Clausena lansium led to the assignment of acyclic structures of C-6 and C-7. The absolute configurations of the two chiral carbons in C-6 were ...The spectral data and chemical properties of two new amides isolated from Clausena lansium led to the assignment of acyclic structures of C-6 and C-7. The absolute configurations of the two chiral carbons in C-6 were determined by degradation to be 3S4R.展开更多
The structural, dielectric, lattice dynamical and thermodynamic properties of zinc-blende CdX (X=S, Se, Te) are studied by using a plane-wave pseudopotential method within the density-functional theory. Our calculat...The structural, dielectric, lattice dynamical and thermodynamic properties of zinc-blende CdX (X=S, Se, Te) are studied by using a plane-wave pseudopotential method within the density-functional theory. Our calculated lattice constants and bulk modulus are compared with the pubfished experimental and theoretical data. In addition, the Born effective charges, electronic dielectric tensors, phonon frequencies, and longitudinal opticaltransverse optical splitting are calculated by the linear-response approach. Some of the characteristics of the phonon-dispersion curves for zinc-blende CdX (X= S, Se, Te) are summarized. What is more, based on the lattice dynamical properties, we investigate the thermodynamic properties of CdX (X= S, Se, Te) and analyze the temperature dependences of the Helmholtz free energy F, the internal energy E, the entropy S and the constant-volume specific heat Cv. The results show that the heat capacities for CdTe, CdSe, and CdS approach approximately to the Petit-Dulong limit 6R.展开更多
The struetural effect of the conjugative system(C)with carbonyl-imino bridges has been studied.The results show that:In the conjugated system(C),there is no electronic absorption peak attributable to the whole system,...The struetural effect of the conjugative system(C)with carbonyl-imino bridges has been studied.The results show that:In the conjugated system(C),there is no electronic absorption peak attributable to the whole system,but there are three π-π* bands each nt which displays chacactecistics of its own independently.These indicate that the two bridges-carbonyl-and-imino-can block the tlanSmlSSion of the conjngative polarization of the whole system,so as to form three segments,this is verified by means of chemical synthesis and degradation.展开更多
INVESTIGATION on photosystem Ⅱ (PS Ⅱ ) of high plants is one of the most important aspects in photosynthesis research. P<sub>680</sub> is the primary electron donor in reaction center of PS Ⅱ , which ...INVESTIGATION on photosystem Ⅱ (PS Ⅱ ) of high plants is one of the most important aspects in photosynthesis research. P<sub>680</sub> is the primary electron donor in reaction center of PS Ⅱ , which is a crucial component for sun-light conversion and water split in PS Ⅱ. So study on its structure and function is very important. So far, a few structural models of P(680) have been proposed. Typical models are monomolecular model and bimolecular model. There are two types of bimolecular model: bimolecular parallel model and bimolecular angular model. (Note: There is a kind of multiple model. Because it can be obtained from the organization of two bimolecular models, this model is considered as the same sort of bi-展开更多
A variety of phenyl alkyl sulfides were oxidized enantioselectively with NaIO_4 in chiral micellar systems formed from eight chiral surfactants,to give optical active sulfoxides.The enantiomer excesses ranged from 1.6...A variety of phenyl alkyl sulfides were oxidized enantioselectively with NaIO_4 in chiral micellar systems formed from eight chiral surfactants,to give optical active sulfoxides.The enantiomer excesses ranged from 1.6 to 15.0%.To understand the mechanistic detail of this asymmetric oxi- dation in chiral micelle,the effects of structure both in substrates and surfactants on the optical yield of the oxidation were studied and discussed.Generally,increasing the alkyl chain length both in sur- factants and in substrates enhances the optical yield,also the surfactant with hydroxy group at its appropriate position gives better enantioselectivity,suggesting the enzymic characteristics of the chiral micelle.展开更多
In this paper, based on Cobb-Douglas production function, the structural stability of the supply chain system are analyzed by employing Lyapunov criteria. That the supply chain system structure, with the variance of t...In this paper, based on Cobb-Douglas production function, the structural stability of the supply chain system are analyzed by employing Lyapunov criteria. That the supply chain system structure, with the variance of the rate of re-production input funding, becomes unstable is proved. Noticeably, the solutions shows that when the optimal combination of input parameter element, the qualitative properties of supply chain system change and the supply chain system becomes unstable.展开更多
文摘The structures of two novel lactams isolated from Clausena lansium were elucidated mainly on the bases of their spectral data. They are homoclausenamide(1),a -lactam,and zetaclausenamide(4), an eight-membered ring lactam.
基金supported by the State Key Program of National Natural Science of China(Grant No.41130637)
文摘During the underground mining of coal resources,overlying rocks on the roof of excavated tunnels will be destroyed due to ground pressure,and as a result,part of them will break and fall into the tunnels.How to determine the distribution of fractured areas and fissures presents a major problem for preserving the overlying aquifer.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11247010,11175055,11475053 and 11347017the Natural Science Foundation for Distinguished Young Scholars of Hebei Province under Grant No C2015202340+1 种基金the Natural Science Foundation of Hebei Province under Grant Nos C2012202079 and C201400305the Scientific Innovation Fund for Excellent Young Scientists of Hebei University of Technology under Grant No 2015010
文摘To accomplish their functions, proteins have to achieve different conformations accompanied by conformational transitions. However, the relationship between the preference of amino acids and the stability of the secondary structure is still unclear. Here we perform molecular simulations on a series of helical structures. Our data show that the dissociation energy of the helical structure is related to the preference of amino acids, and the electrostatic repulsion of the residue i and i + 3/4 with the same sign of charge destabilizes the alpha helix.
文摘The spectral data and chemical properties of two new amides isolated from Clausena lansium led to the assignment of acyclic structures of C-6 and C-7. The absolute configurations of the two chiral carbons in C-6 were determined by degradation to be 3S4R.
基金Supported by the National Natural Science Foundation of China under Grant No 11374217
文摘The structural, dielectric, lattice dynamical and thermodynamic properties of zinc-blende CdX (X=S, Se, Te) are studied by using a plane-wave pseudopotential method within the density-functional theory. Our calculated lattice constants and bulk modulus are compared with the pubfished experimental and theoretical data. In addition, the Born effective charges, electronic dielectric tensors, phonon frequencies, and longitudinal opticaltransverse optical splitting are calculated by the linear-response approach. Some of the characteristics of the phonon-dispersion curves for zinc-blende CdX (X= S, Se, Te) are summarized. What is more, based on the lattice dynamical properties, we investigate the thermodynamic properties of CdX (X= S, Se, Te) and analyze the temperature dependences of the Helmholtz free energy F, the internal energy E, the entropy S and the constant-volume specific heat Cv. The results show that the heat capacities for CdTe, CdSe, and CdS approach approximately to the Petit-Dulong limit 6R.
文摘The struetural effect of the conjugative system(C)with carbonyl-imino bridges has been studied.The results show that:In the conjugated system(C),there is no electronic absorption peak attributable to the whole system,but there are three π-π* bands each nt which displays chacactecistics of its own independently.These indicate that the two bridges-carbonyl-and-imino-can block the tlanSmlSSion of the conjngative polarization of the whole system,so as to form three segments,this is verified by means of chemical synthesis and degradation.
文摘INVESTIGATION on photosystem Ⅱ (PS Ⅱ ) of high plants is one of the most important aspects in photosynthesis research. P<sub>680</sub> is the primary electron donor in reaction center of PS Ⅱ , which is a crucial component for sun-light conversion and water split in PS Ⅱ. So study on its structure and function is very important. So far, a few structural models of P(680) have been proposed. Typical models are monomolecular model and bimolecular model. There are two types of bimolecular model: bimolecular parallel model and bimolecular angular model. (Note: There is a kind of multiple model. Because it can be obtained from the organization of two bimolecular models, this model is considered as the same sort of bi-
文摘A variety of phenyl alkyl sulfides were oxidized enantioselectively with NaIO_4 in chiral micellar systems formed from eight chiral surfactants,to give optical active sulfoxides.The enantiomer excesses ranged from 1.6 to 15.0%.To understand the mechanistic detail of this asymmetric oxi- dation in chiral micelle,the effects of structure both in substrates and surfactants on the optical yield of the oxidation were studied and discussed.Generally,increasing the alkyl chain length both in sur- factants and in substrates enhances the optical yield,also the surfactant with hydroxy group at its appropriate position gives better enantioselectivity,suggesting the enzymic characteristics of the chiral micelle.
基金Supported by the National Excellent Youth Science Foundation of China (No.79725002)
文摘In this paper, based on Cobb-Douglas production function, the structural stability of the supply chain system are analyzed by employing Lyapunov criteria. That the supply chain system structure, with the variance of the rate of re-production input funding, becomes unstable is proved. Noticeably, the solutions shows that when the optimal combination of input parameter element, the qualitative properties of supply chain system change and the supply chain system becomes unstable.