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Table of Content

      
    20 March 2013
    Volume 48 Issue 3
    Articles
    Theoretical study of the effects of copper ions on the intramolecular proton-transfer in adenine and between its base pairs
    HU Chun-xia1, FENG Sheng-yu1*, AI Hong-qi2
    J4. 2013, 48(3):  1-7. 
    Abstract ( 444 )   PDF (2170KB) ( 1105 )   Save
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    The effects of copper ions coordinated to N7 of adenine on the intramolecular protontransfer in adenine and between its base pairs were studied at the B3LYP/631+G* level. The results showed that protontransfer in copperadenine complex occurred very easily, and the effects were more pronounced for the divalent copper than for the univalent one. The monohydration of the copper ions disfavored the reaction due to the screening of electrostatic effects. For Cu+adenine system, the waterassisted intramolecular protontransfer in Cu+adenine occurred more easily. On the other hand, for Cu2+AT (or Cu2+AU) system, two possible reaction pathways were calculated: deprotonation before protonation of adenine (Path1) and protonation before deprotonation of adenine (Path2). First, for Cu2+AT (or Cu2+AU), the divalent copper interaction could stabilize the ion pair structure derived from singleprotontransfer (SPT) reaction. Moreover, the SPT reaction was largely favored due to the increased acidity of the base monomers. Second, for the Cu2+-AT system, the structure resulting from the double-proton-transfer (DPT) reaction (N1-NT and N6-OT) was not stable contrasting to the [AT]+system observed. Moreover, the analysis of the potential energy surface and the energies indicated that the better reaction pathway tend to Path2. The ion pair structure derived from the N1-NT SPT reaction could easily transform to Cu2+-AT by surmounting a very small barrier. So for the Cu2+-AT system, the Cu2+-AT without proton transfer was the dominating species in the gas phase. However, both SPT and DPT in the Cu2+-AU system could all occur, of which the latter was less favorable than the former. The same result was also found in the [AU]+system. The calculated results showed that the two SPT pathways existed competition effect, and the DPT reaction tended more to Path2 than what was observed for the [AU]+system.

    Dynamic changing features of chemical bond during the electrophilic addition of chlorine hydride to ethylene
    DING Yan-li1, GONG Li-dong2, MU Ji-rong1
    J4. 2013, 48(3):  8-12. 
    Abstract ( 578 )   PDF (1418KB) ( 1206 )   Save
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     The HCl electrophilic additions to CH2CH2 has been investigated by ab initio calculations. And then the chemical bond forming, breaking, and van der Waals interaction during the reaction have been demonstrated in terms of the potential acting on an electron in a molecule (PAEM) and Dpb, which are obtained via molecular face (MF) theory. If the value of the Dpb between the two adjacent atoms in a molecule is larger than that of the ionization potential of the molecular system, there is bonding interaction between them. In contrast, there is van der Waals interaction between the adjacent atoms in a molecule. The studies indicate that MF theory can well describe van der Waals interaction, and demonstrate the chemical bond forming or breaking. A vivid and interesting changing feature of a chemical bond forming or breaking has been demonstrated by the MF theory.

    The electronic structure,elastic and thermodynamic properties of 3C-SiC at high pressure
    LIU Fu-ti1,2, CHENG Xiao-hong1, ZHANG Shu-hua3
    J4. 2013, 48(3):  13-18. 
    Abstract ( 479 )   PDF (2046KB) ( 1348 )   Save
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    The crystal structure of 3C-SiC was optimized by the first-principle plane-wave density functional theory super-soft pseudo-potential method. We obtained the lattice parameter which consistent with experimental value. The electronic structure and elastic constants were calculated at 0 up to 100GPa pressure. The result shows the structure of 3C-SiC is stable, and the energy gap decreases as the pressure increases. The thermodynamic properties of 3C-SiC was obtained in the temperature from 0 to 2100K and pressure from 0 to 100GPa through the quasi-harmonic Debye model. When the temperature increases or the pressure decreases, the heat capacity, thermal expansion coefficient and entropy increase, while Debye temperature decreases.

    A research of screening of salt-tolerance of 12 elm clones in vitro culture
    MU De-yu
    J4. 2013, 48(3):  19-23. 
    Abstract ( 408 )   PDF (799KB) ( 1027 )   Save
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    The main focuses of this thesis are evaluate and screening of the growth of 12 Elm Clones under different concentration of NaCl (0.3%,0.4%,0.5%,0.6%,0.7%,0.8%) in Vitro Culture. The impact of changes in the external environment and conditions on clone salt-tolerance of Ulmus pumila was excluded. By using the method of membership function, the ability of NaCl tolerance for the 12 elm clones has analyzed and evaluated. The result shows that No.58, No.30 and No.50 elm clones have strong resistance, also the result from principal component analysis are similarity; at the same time, the result of principal component analysis (PCA) divides the 12 Elm Clones into 3 classes according to the application situation, which provide a reliable evaluation methodology for the tolerance of elm clones toward NaCl.

    A new method to evaluate the exponential sums of quadratic functions on finite field with character 2
    YIN Hua-jun1,2, ZHANG Xi-yong1,2*
    J4. 2013, 48(3):  24-30. 
    Abstract ( 534 )   PDF (726KB) ( 1319 )   Save
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    Let f(x)=∑1≤i≤kaix1+2αi, k<n/2, x∈F2nai∈F2m, m|n be a quadratic function. If the companion polynomial of f(x) has the particular factorization of f′(z)≡g(z)·g*(z)(modzn+1), a new method to compute the exponential sum S(f(x),n)=∑x∈F2n(-1)Tr(f(x))was obtained, where Tr(·) is the trace function from F2n to F2, and g*(z) is the reciprocal polynomial of g(z). By this method, the computation of the exponential sums of a large class of quadratic function can be converted to the present result which can be explicitly evaluated.

    The triangular domain extension of T-Bézier basis for 4-order trigonometric polynomial space
    CHEN Su-gen1, SU Ben-yue2, WANG Zhi-hua1
    J4. 2013, 48(3):  31-36. 
    Abstract ( 501 )   PDF (2188KB) ( 1102 )   Save
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    The T-Bézier curve surfaces are all tensor form. In order to further study T-Bézier basis in non-polynomial space and perfect the theory of triangular domain, a kind of trigonometric basis for trigonometric polynomial space of order 4 over triangular domain was proposed. The constructed basis over triangular domain was  proved to have nice properties such as positivity, partition of unity, symmetry, boundary representation and linear independence and so on. Some properties of the corresponding surface are also proved. Finally, some applications of the proposed T-Bézier surface are shown.

    S-rough equivalent classes and knowledge dynamic miningdiscovery
    XU Feng-sheng1, YU Xiu-qing1, ZHANG Huan-li2
    J4. 2013, 48(3):  37-41. 
    Abstract ( 492 )   PDF (737KB) ( 1170 )   Save
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     Based on one direction S-rough sets(one direction singular rough sets), dual of one direction S-rough sets(dual of one direction singular rough sets), the concepts and structures of S-rough equivalent classes, dual of Srough equivalent classes and rough equivalent classes are proposed. The relationship among the three kinds of equivalent classes is analysed. And attribute theorems and dynamic separate theorems about S-rough equivalent classes and dual of S-rough equivalent classes are obtained. Finally, theories about dual of Srough equivalent classes given in the paper are applied to knowledge dynamic mining-discovery.

    Trust between principal and agent based on the sequential reciprocal equilibrium
    XU Min-li, GUO Sha-sha
    J4. 2013, 48(3):  42-47. 
    Abstract ( 486 )   PDF (1017KB) ( 1286 )   Save
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    In order to establish the mechanism of trust in the principal-agent problem, the two phases trust and repeat trust game between the principal and agent were studied by using the sequential reciprocity equilibrium (SRE) and limited rational thinking. The results show that as long as the certain conditions are met to mutual sensitivity, the optimal strategy of the principal is to trust the agent, and the agent′s optimal strategy is worth the principal trust. Trust game is effective in the principalagent problem.

    Geometric average asian option pricing in fractional brownian environment
    SHEN Ming-xuan1, HE Chao-lin2
    J4. 2013, 48(3):  48-52. 
    Abstract ( 414 )   PDF (690KB) ( 1359 )   Save
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     Under the assumption that the stock pricing processes obeys the stochastic differential equation driven by fractional Brownian motion, the pricing formula of geometric average Asian option with floated-strike was obtained by using the quasi-conditional expectation.

    Aggregating of the general intuitionistic uncertain linguistic variables based on Archimedean tnorm
    GONG Zeng-tai, QI Ying
    J4. 2013, 48(3):  53-63. 
    Abstract ( 407 )   PDF (770KB) ( 1105 )   Save
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    Considering that the representation of the intuitionistic uncertain linguistic variable is always restricted by the historical knowledge of policy makers, perceptual judgment and other factors in the game playing, in the process of benefit groups voting or decision, we improve the relationship between the membership and the nonmembership degree for the intuitionistic sets, and  the generalized intuitionistic uncertain linguistic variables by means of the fuzzy logic non-portal operators are defined. Also, by using the Archimedean t-conorm and t-norm, the generalized intuitionistic uncertain linguistic variable and its aggregating theory are established.

    Boundedness of fractional Marcinkiewicz integrals with variable kernel on Hardy type spaces
    PAN Ya-li1, WANG Xin-song2
    J4. 2013, 48(3):  64-72. 
    Abstract ( 516 )   PDF (757KB) ( 1296 )   Save
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    The boundedness of the fractional type Marcinkiewicz integrals μΩ,α with variable kernels on Hardy spaces and Herz type Hardy spaces are established. Some properties of μΩ,α which kernel satisfies certain condition are given by the atomic decomposition theorem. Also, the integral μΩ,α is an operator of type H1,Lnn-α and of type (Hp,Lq). The boundedness from Herz type Hardy spaces to Herz spaces about the integral μΩ,α are presented.

    Existence and uniqueness of the solution to neutral stochastic functional differential equations under non-Lipschitz conditionswith infinite delay at phase space Ch
    YUE Chao-hui, ZHANG Chang-qin*, WU Jian
    J4. 2013, 48(3):  73-79. 
    Abstract ( 492 )   PDF (719KB) ( 1174 )   Save
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    The existence and uniqueness of the solution to neutral stochastic functional differential equations with infinite delay at phase space (Ch, |·|h) under nonLipschitz conditions on the coefficients was proved by means of the Picard approximations.

    Lagrange optimality conditions for set-valued optimization problem in the sense of ε-strongly efficient elements
    XU Yi-hong, HAN Qian-qian, WANG Tao, L Qiang
    J4. 2013, 48(3):  80-83. 
    Abstract ( 442 )   PDF (683KB) ( 1502 )   Save
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    By applying properties of the nearly cone-subconvexlike setvalued map, the result was proved that for a nearly cone-subconvexlike ordered pair set-valued map, its relevant Lagrange map is also nearly cone-subconvexlike. With help of such result, a Lagrange optimality necessary condition was established in the sense of  ε-strongly efficiency. By taking advantage of properties of an  ε-strongly efficient point, a Lagrange optimality sufficient condition was  also obtained.

    Convergence rate of EM scheme for SDDEs with markovian jump
    LIU Jun
    J4. 2013, 48(3):  84-88. 
    Abstract ( 516 )   PDF (748KB) ( 1037 )   Save
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    The convergence rate of Euler-Maruyama scheme for a class of SDDEs which are highly nonlinear with respect to the delay variables was  obtained. It shows that it is quite different from the case without Markovian jump. The example is given to conform the results.

    The consistency of nonparametric regression model for average process of  φ-mixing sequence
    TANG Ling
    J4. 2013, 48(3):  89-92. 
    Abstract ( 418 )   PDF (686KB) ( 1166 )   Save
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    The consistency of nonparametric regression model for moving average process was investigated based on φ-mixing sequence. Under some general conditions, the qmean convergence and uniform q-mean convergence for the estimator of nonparametric regression model were obtained by using Cr inequality, Jensen inequality, Hlder inequality, moment inequality of the φ-mixing sequence and some properties of weighted functions, and some related results were generalized.

    Multistate Markov repairable system with fatigue time omission
    LIANG Xiao-lin, ZHANG Ni, NIU Cai-yun
    J4. 2013, 48(3):  93-98. 
    Abstract ( 428 )   PDF (856KB) ( 1314 )   Save
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    First, the original system models were established by assuming that the systems have three states (perfect work, fatigue work, failure) and a repairman, and perfect working time, fatigue working time and repair time were exponentially distributed. Second, the new system models were obtained under the conditions of the assumption that ignoring the effects of fatigue time. Final, the reliability indices of the original and the new systems including reliability, availability, mean down time and so on were discussed by using probability analysis and Laplace transform technique.

    ε-strongly subdifferential of set-valued mapping and application
    YU Li
    J4. 2013, 48(3):  99-105. 
    Abstract ( 485 )   PDF (717KB) ( 965 )   Save
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    In Hausdorff locally convex topological vector spaces, the concept of ε-strongly efficient subdifferential for a set-valued mapping was introduced. Under certain condition, by using the convex set separation theorem, the existence theorem for ε-strongly efficient subdifferential was proposed. As an application, the necessary optimality condition of the constraint set-valued optimization problem for ε-strongly efficient solutions was established in terms of Lagrange multiplier by using the concept of εstrongly efficient subdifferential for setvalued mapping.

    Optimal premium policy of an insurance firm  with stochastic interest rates
    MENG Xiang-bo1, ZHANG Li-dong1*, DU Zi-ping2
    J4. 2013, 48(3):  106-110. 
    Abstract ( 467 )   PDF (696KB) ( 1204 )   Save
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    The optimization problem was studied which an insurance firm faced under the stochastic interest rates. The decision-makers can control its cash-balance dynamics by adjusting the underlying premium rate. The firm’s objective is to minimize the total deviation of its cash-balance process. Thus the optimal premium policy and the optimal cost function were obtained.