过渡金属掺杂在Bi2Te3体系中诱导产生的磁性

用从头计算方法研究了在Bi₂Te₃体系采用过渡金属掺杂从而诱导出磁性的可能性．用一个过渡金属原子置换一个Bi原子之后,可以在该体系中产生磁矩,这主要是由于过渡金属原子的3d轨道电子的自旋极化导致的．当一个Ti、V、Cr、Mn和Fe原子分别替代一个Bi原子时,体系显示的磁矩分别为0.92、1.97、2.97、4.04和4.98 μ_B．当引入两个过渡金属原子代替两个Bi原子的时候,交换耦合的特性取决于取代Bi原子的分布;代替的Bi原子的位置在Bi1和Bi5的位置时,这两个过渡金属原子之间的距离为11.52 ?, Bi_1.84TM_0.16Te₃体系能量最稳定并且表现出铁磁性耦合．     

Access to Novel Graphene‐Like Sheet of Hydroboron: First‐Principles Investigation

We designed a cyclic borane (B₆H₁₂) molecule with a benzene‐like structure, in which the six B atoms are located in the same plane. Three methods of B3LYP, MP2, and CCSD with the 6‐311++G** basis were used to investigate its structure, electronic property, and stability. Next, we calculated the stability and electronic property of three hydroboron derivatives with fused rings of B₁₀H₁₈, B₁₄H₂₄, and B₁₆H₂₆. Finally, we investigated three types of novel two‐dimensional infinite hydroboron sheets with diborane as a building block. The results of the phonon spectra ensure the dynamic stability of these predicted structures. Furthermore, the three types of hydroboron sheets are shown to have different band gap energies of less than 3.0 eV. Some investigations on the optical properties have also been performed. The predicted sheets are candidates for semiconductors, whose band gap energy can be tuned by the positions of the bridge hydrogen atoms in the sheets.     

Target-driven DNA association to initiate cyclic assembly of hairpins for biosensing and logic gate operation

A target-driven DNA association was designed to initiate cyclic assembly of hairpins, which led to an enzyme-free amplification strategy for detection of a nucleic acid or aptamer substrate and flexible construction of logic gates. The cyclic system contained two ssDNA (S1 and S2) and two hairpins (H1 and H2). These ssDNA could co-recognize the target to produce an S1–target–S2 structure, which brought their toehold and branch-migration domains into close proximity to initiate the cyclic assembly of hairpins. The assembly product further induced the dissociation of a double-stranded probe DNA (Q:F) via toehold-mediated strand displacement to switch the fluorescence signal. This method could detect DNA and ATP as model analytes down to 21.6 pM and 38 nM, respectively. By designing different DNA input strands, the “AND”, “INHIBIT” and “NAND” logic gates could be activated to achieve the output signal. The proposed biosensing and logic gate operation platform showed potential applications in disease diagnosis.     

Exponential synchronization for fractional‐order chaotic systems with mixed uncertainties

This article focuses on the problem of exponential synchronization for fractional‐order chaotic systems via a nonfragile controller. A criterion for α‐exponential stability of an error system is obtained using the drive‐response synchronization concept together with the Lyapunov stability theory and linear matrix inequalities approach. The uncertainty in system is considered with polytopic form together with structured form. The sufficient conditions are derived for two kinds of structured uncertainty, namely, (1) norm bounded one and (2) linear fractional transformation one. Finally, numerical examples are presented by taking the fractional‐order chaotic Lorenz system and fractional‐order chaotic Newton–Leipnik system to illustrate the applicability of the obtained theory. © 2014 Wiley Periodicals, Inc. Complexity 21: 114–125, 2015     

Robust ℋ∞ tracking control for uncertain Markovian jumping systems with interval time‐varying delay

In this article, the problem of robust tracking control for a class of uncertain Markovian jump systems with interval time‐varying delay is investigated. Based on an augmented Lyapunov–Krasovskii functional with triple integral term, partitioning the delay's lower bound and reciprocally convex approach, delay‐dependent conditions for the existence of desired controller are achieved. Meanwhile, stability criteria for delayed Markovian jump systems are also provided with less conservativeness and less matrix variables than some recent results. Finally, two simulation examples are given to illustrate the effectiveness of the proposed design method. © 2014 Wiley Periodicals, Inc. Complexity 21: 355–366, 2015     

Enlarged ferromagnetic hysteresis in InMnP:Be epilayers formed by thermal diffusion using MBE-grown Mn/InP:Be bilayers

The p-type InMnP:Be epilayers, which were prepared by thermal diffusion of Mn through in-situ deposition of Mn layer using molecular beam epitaxy (MBE) onto MBE-grown InP:Be epilayers and subsequent in-situ annealing at 300–350 °C, were investigated. InMnP:Be epilayers prepared by the above sequence clearly showed the Mn-related emission band at 1.1–1.2 eV, which indicates the effective incorporation of Mn²⁺ ions into the host layer InP:Be. The samples demonstrated very large ferromagnetic hysteresis loops with enhanced coercivity, and the ferromagnetic-to-paramagnetic transition of the samples was observed to occur at ∼85 K. These results suggest that InP-based ferromagnetic semiconductor layers having enhanced ferromagnetism can be effectively formed by the above-mentioned sequential in-situ processes.     

Particle size control of PbTe quantum dots incorporated in the germano-silicate glass optical fiber by heat treatment

The effect of heat treatment of the germano-silicate glass optical fiber incorporated with PbTe quantum dots on the absorption characteristics was investigated. Incorporation of the PbTe QDs in the fiber core was confirmed by the absorption peaks that appeared at 687 nm and 1055 nm and their shift upon heat treatment. The absorption peak was found to shift linearly toward a longer wavelength after heat treatment at 700 °C, 1000 °C, and 1100 °C for 1 h. The red shift of the excitonic absorption peak was attributed to the increase in the average size of the PbTe QDs in the fiber core.     

Aerobic Biodegradation of a Sulfonated Phenylazonaphthol Dye by a Bacterial Community Immobilized in a Multistage Packed-Bed BAC Reactor

A microbial community able to aerobically degrade the azo dye Acid Orange 7 was selected from riparian or lacustrine sediments collected at sites receiving textile wastewaters. Three bacterial strains, pertaining to the genera Pseudomonas, Arthrobacter, and Rhizobium, constitute the selected community. The biodegradation of AO7 was carried out in batch-suspended cell culture and in a continuously operated multistage packed-bed BAC reactor. The rapid decolorization observed in batch culture, joined to a delay of about 24 h in COD removal and cell growth, suggests that enzymes involved in biodegradation of the aromatic amines generated after AO7 azo-bond cleavage (1-amino-2-naphthol [1-A2N] and 4-aminobenzenesulfonic acid [4-ABS]), are inducible in this microbial consortium. After this presumptive induction period, the accumulated byproducts, measured through COD, were partially metabolized and transformed in cell mass. At all azo dye loading rates used, complete removal of AO7 and 1-A2N was obtained in the multistage packed-bed BAC reactor (PBR).; however, the overall COD (η _COD ) and 4-ABS (η _ABS ) removal efficiencies obtained in steady state continuous culture were about 90%. Considering the toxicity of 1-A2N, its complete removal has particular relevance. In the first stages of the packed-bed BAC reactor (Fig. 4a–c), major removal was observed. In the last stage, only a slight removal of COD and 4-ABS was obtained. Comparing to several reported studies, the continuously operated multistage packed-bed BAC reactor showed similar or superior results. In addition, the operation of large-packed-bed BAC reactors could be improved by using several shallow BAC bed stages, because the pressure drop caused by bed compaction of a support material constituted by small and fragile particles can be reduced.     

Extended Veytsman statistics for the solid–fluid transition in the framework of lattice fluid

Lattice fluid can describe a vapor–liquid transition but not a solid–fluid transition. In this work, we propose a simple and analytic term which yields a solid–fluid transition when coupled with a lattice based equation of state (EOS). The proposed term is derived based on the two assumptions that (1) solid can be considered as highly associated phase affected by strong attractive force and (2) this force is distinct from the conventional attractive forces yielding a vapor–liquid transition. To formulate these assumptions, we extend Veytsman statistics by modifying its density dependency. The derived term was combined with a quasi-chemical nonrandom lattice fluid theory (QLF) developed by the authors. The combined model was found to require only two parameters besides 3 QLF parameters for physical properties calculation of three phases. When tested against equilibrium properties of 8 components, the combined model was found to closely reproduce melting pressure, sublimation pressure, and vapor pressure, but underestimate solid density as well as heat of melting at the triple point temperature. It was found that the present approach can yield a solid–liquid transition at all temperatures.     

新型哌嗪并[2,1-a]异喹啉类化合物合成及抗真菌活性的研究

设计、合成了36个新型哌嗪并[2,1-a]异喹啉类化合物,并测试了其体外抗真菌活性.结果表明所有化合物对5种临床致病真菌都有抗真菌活性.其中化合物5h,5j～5l,6g～6k和6l对除白念菌外的4种测试菌的抗真菌活性强于或相当于对照药氟康唑;特别是大多数目标化合物对于氟康唑无效的薰烟曲霉菌显示出较好抗真菌活性.对接研究显示所设计的目标化合物与靶酶活性腔中氨基酸功能残基结合.结果表明新型哌嗪并[2,1-a]异喹啉类化合物是一类全新结构类型的抗真菌化合物,为抗真菌药物研究提供了新的结构类型.