直觉结合算子模糊逻辑

定义了一直觉结合算子 ,并给出一相应的结合算子格 ,在此格上建立了一种新的模糊逻辑系统 ,并讨论该系统的一些性质及范式表示 .

区间数结合算子模糊逻辑及λ-归结

［０，１］上的所有区间数作成一个结合算子格Ｌ１，本文在此格上建立了一种新的模糊逻辑系统ＩＯＦＬ，讨论了该逻辑系统的一些性质。

Syntheses,crystal structures,and quantum chemistry calculation of two Ni(Ⅱ)coordination polymers

Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2.

一类群体决策模型

本文利用距离的概念求得一个与各专家所给的数的距离总和最小的数作为对备择对象的总体衡量。首先我们指出海明距离与欧几里得距离的应用可导出现已存在的两个模型，然后对一个特殊的距离给出一些结论。最后，我们利用单调函数去构造更一般的结合算子，从而导出很多常用的算子作为特例。

Hybrid aggregation operator and its application to multiple attribute decision making problems

By combining the advantages of the additive weighted mean (AWM) operator and the ordered weighted averaging (OWA) operator, this paper first presents a hybrid operator for aggregating data information, and then proposes a hybrid aggregation (HA) operator-based method for multiple attribute decision making (MADM) problems. The theoretical analyses and the numerical results show that the HA operator generalizes both the AWM and OWA operators, and reflects the importance of both the given argument and the ordered position of the argument. Thus, the HA operator can reflect better real situations in practical applications. Finally, an illustrative example is given.

Computational Calculations of Molecular Properties and Molecular Docking of New and Reference Cephalosporins on Penicillin Binding Proteins and Various β-Lactamases

An approach of using molinspiration calculations and molecular docking on PBPs （penicillin-binding proteins） and certain β-lactamases is employed to predict the molecular properties, bioactivity and resistance of newer and reference cephalosporins. The previously synthesized cephalosporins 1-8 and reference cephalosporins were subjected to extensive evaluations by calculating the molecular properties, drug-likeness scores on the bases of Lipinski＇s rule and bioactivity prediction using the method of molinspiration web-based software. The TPSA （topological polar surface area）, OH-NH interactions, n-violation and the molinspiration Log partition coefficient （miLogP） values were also calculated. The investigated cephalosporins were subjected to molecular docking study on PBPs （lpyy） and on β-lactamases produced by S. aureus, K. pneumonia, E. coil and P. auroginosa using 1-click-docking website. Molecular properties of 1-8 recorded higher ＂FPSA than cephalexin and were lower than the reference cephalosporins and do not fulfill the requirements for Lipinski＇s rule. Bioactivities of 1-8 were predicted to be less and their docking scores on PBPs were comparable to those of the reference cephalosporins, particularly ceftobiprole. The references recorded various docking scores on the above β-lactamases and as expected, cefiobiprole recorded the lowest scores on all β-lactarnases. Cephalosporins 1-8 recorded various docking scores on β-lactamases. Molecular docking studies on PBPs and β-lactamases are considered as very useful, reliable and practical approach for predicting the bioactivity scores and to afford some information about the stability and selectivity of the newly proposed cephalosporins against β-lactamases of certain pathogenic microbes, such as P. auroginosa and MRSA, by recording the relative docking scores in comparison with those of reference cephalosporins.

Effects of Transverse Field on Internal Energy and Specific Heat of a Molecular-Based Materials

The molecular-based magnetic materials AFe11 Fe111（C2O4）3 have a honeycomb structure in which FeII （S = 2） and FeIH （S= 5/2） occupy sites alternately. They can be described as mixed spin-2 and spin-5/2 Ising model with ferrimagnetic interlayer coupling. The influences of the transverse field on the internal energy and the specific heat of the molecalar-based magnetic system have been studied numerically by using the effective-field theory with self-spin correlations and the differential operator technique.

Neutral pyrimidine C-H donor as anion receptor

Anion receptors including pyrimidine subunit were designed and synthesized and their binding abilities with various anions were investigated by fluorescence and ~1H NMR titration experiments.DFT calculations provided some information for anion recognition.It is confirmed that both of two new pyrimidine anion receptors have the selectivity for Cl-.

代数的算子的Rota纲领、重写系统和Grobner-Shirshov基

许多年前,Rota提出了Rota纲领:找出所有能被(结合)代数上的线性算子满足的代数恒等式.经过一段时间的沉寂之后,近些年来在带算子代数和Grobner-Shirshov基的观点下,Rota纲领有了快速的进展,发表在一系列从特殊情形到一般情形的论文中.这也表明,Rota的远见卓识可以非常广泛地应用到其他代数结构上,比如李代数和更为广泛的operad.本文介绍了Rota纲领的动机、早期发展及最近在结合代数和李代数上的进展,主要用到了重写系统和Grobner-Shirshov基的方法.本文回顾了一些老问题,也提出了一些新问题,以推动Rota纲领的进一步发展.

JBW-代数上的局部导子

本文证明了JBW-代数上的局部导子是导子,举反例说明了JBW-代数上的局部内导子未必是内导子,并且给出了JBW-代数的一个充要条件使得它上的局部内导子是内导子,

COMPOSITION OPERATORS ON BERGMAN SPACES

The authors obtain function theoretic characterizations of the compactness on the standardweighted Bergman spaces of the two operators formed by multiplying a composition operatorwith the adjoint of another composition operator.

Computation of concentrations of characteristic atoms of alloys in BCC structure

In this paper, taking Nb-Mo alloy system as an example, the equations of concentration of characteristic atoms of alloys in BCC structure were obtained on the basis of the idea of systematic science of alloys and the number of coordination atoms. The concentrations of characteristic atoms in B2-NbMo type ordered alloys were calculated as functions of ordering degree（s） and composition Xuo. When S=Smax, the concentrations of characteristic atoms of stoichiometric B2-NbMo intermetallic compound are equal to that of alloys, that is, X8^Nb = 0.5 at, X0^Mo= 0.5 at. As ordering degree decreases, characteristic atoms A8^Nb and A0^Mo of B2-NbMo type ordered alloy split. And the degree of splitting of characteristic atoms increases with the ordering degree decreasing. Therefore, disordered alloys and various types of ordered alloys can be designed.

Effects of hydrostatic pressure and external electric field on the impurity binding energy in strained GaN/Al_xGa_(1-x)N spherical quantum dots

The binding energy and Stark effect energy shifts of a shallow donor impurity state in a strained GaN/AlxGa1-xN spherical finite-potential quantum dot (QD) are calculated using a variational method based on the effective mass approximation. The binding energy is computed as a function of dot size and hydrostatic pressure. The numerical results show that the binding energy of the impurity state increases, attains a maximum value, and then decreases as the QD radius increases for any electric field. Moreover, the binding energy increases with the pressure for any size of dot. The Stark shift of the impurity energy for large dot size is much larger than that for the small dot size, and it is enhanced by the increase of electric field. We compare the binding energy of impurity state with and without strain effects, and the results show that the strain effects enhance the impurity binding energy considerably, especially for the small QD size. We also take the dielectric mismatch into account in our work.

Quantum Entanglement Dynamics of Two Atoms in Two Coupled Cavities

Quantum entanglement dynamics for two atoms trapped in two coupled cavities is investigated.Numerical results show that the present of the two atomic excitations is mainly accounted for the entanglement-sudden-death(ESD) effect with the two cavities initially in the vacuum.The entanglement can also be controlled by the hopping rate and the imbalances between the two atom-cavity coupling rates.

A molecular dynamics and computational study of human KAT3 involved in KYN pathway

Kynurenine aminotransferases （KATs） catalyze the transamination of kynurenine （KYN） pathway and endogenous KYNs have been suggested to highly correlate to abnormal brain diseases. HKAT3 is a key member of KAT family, while the binding mechanism of KYN and cofactor with HKAT3 has not been determined yet. In this study, we focus on the structure-function relationship among KYN, cofactor and HKAT3. The binding models of KYN complex and KYN＆cofactor complex were ob- tained and were studied by molecular dynamics （MD） simulations. We identified several critical residues and influence of conformational changes in human kynurenine aminotransferase 3 （HKAT3） complexes. The cofactor may contribute largely not only to the catalysis, but also to the binding. In addition, a hypothesis is proposed that a strong hydrophobic interaction between Tyr159 and Lys280 may influence the binding mode and the binding region of the substrate and the cofactor. Our re- suits will be a good starting point for further determination of the biological role.