Ab initio and infrared spectral study of 4′-substituted phenylthiolbenzoates

The geometry of the 4′-cyano-(4′-CNPTB) and the 4′-methoxy-(4′-MePTB) phenylthiolbenzoates were obtained by ab initio calculations employing 6–31G basis set at Hartee-Fock level of theory. The results predict an extended form of the molecules and torsional angle between the phenyl rings at 90.85(6)⁰ and 90.87(3)⁰, respectively. On the basis of vibrational analysis the frequency assignment was carried out. The calculated frequencies were compared with the experimental IR spectral data in carbon tetrachloride, carbon disulfide solutions and in solid state.     

多组分光谱相关色谱及其在中药色谱指纺图谱分析中的应用

基于正交投影理论和相关色谱方法提出多组分光色谱方法提出多组分光谱相关 色谱。为克服联用色谱仪器的不等性噪声影响，采用目标组分投影前后的光谱夹角 余弦判据，判断不同的中药色谱指纹图谱的相关组分色谱峰簇。该方法为中药指纹 图谱的数据处理、合理评价以及中药谱效学的基本理论研究提供一种实用的工具。     

Photocatalytic and antifouling properties of TiO2-based photocatalytic membranes

Photocatalysis has been extensively studied due to its potential ability to avoid the excessive use of chemical reagents and reduce the energy consumption by employing solar energy. Moreover, to alleviate the reduction in the membrane permeation selectivity, separation efficiency, and membrane service life caused by the emerging micro-pollutants and membrane fouling, membrane technology is often coupled with microbial, electrochemical, and catalytic processes. However, although physical/chemical cleaning and membrane module replacement can overcome the inherent limitations caused by membrane fouling and other membrane separation processes, high operating costs limit their practical applications. In this review, common preparation methods for TiO₂ photocatalytic membranes are described in detail, and the main approaches to enhancing their photocatalytic performance are discussed. More importantly, the mechanism of the TiO₂ photocatalytic membrane antifouling process is elucidated, and some applications of photocatalytic membranes in other areas are described. This review systematically outlines future research directions in the field of photocatalytic membrane modification, including metal and non-metal doping, fabrication of heterojunction structures, control over reaction conditions, increase in hydrophilicity, and increase in membrane porosity.     

Superized Troesch complexes and cohomology for strict polynomial superfunctors

We adapt a construction due to Troesch to the category of strict polynomial superfunctors in order to construct complexes of injective objects whose cohomology is isomorphic to Frobenius twists of the (super)symmetric power functors. We apply these complexes to construct injective resolutions of the even and odd Frobenius twist functors, to investigate the structure of the Yoneda algebra of the Frobenius twist functor, and to compute other extension groups between strict polynomial superfunctors. By an equivalence of categories, this also provides cohomology calculations in the category of left modules over Schur superalgebras.     

一类联图的距离谱半径以及盖理论（英文）

令X=(n₁,n₂,…,n_t),Y=(m₁,m₂,…,m_t)是两个t维递减序列.如果对所有的j,1≤j≤t,都有∑_i=1~j、n_i≥∑_i=1~j m_i以及∑_i=1~t n_i=∑_i=1~t m_i,则称X可盖Y,记作X■Y.如果X≠Y,则记作X■Y.本文考虑联图G(n₁,n₂,…,n_t;a)=(K_n1∪_n2∪…∪K_nt)∨K_a的谱半径,这里n₁+n₂+…+n_t+a=n,(n₁,n     

我国区域绿色技术创新效率的分类测度和提升模式研究——基于非期望产出的SBM-SupSBM模型

本文首先运用考虑非期望产出的SBM-SupSBM模型估计我国各省市绿色技术创新效率并进行分类:稳定上升类、平稳类、大幅度波动类以及下降类。之后从企业内部和外部两方面对绿色技术创新效率提升的影响因素提出假设,着重考虑大幅度波动类别省份的效率提升。运用面板数据模型各影响因素进行验证,结论显示:企业规模对绿色技术创新效率波动较大的省份起到显著的抑制作用,环境规制和技术进步对绿色技术创新效率波动较大的省份作用不明显。针对分析结果,提出结论:在提升绿色技术创新效率的过程中,应注重企业规模和技术进步的协同作用,以及技术的开放程度。     

Single machine group scheduling with ordered criteria

The single machine group scheduling problem is considered. Jobs are classified into several groups on the basis of group technology, i.e. jobs of the same group have to be processed jointly. A machine set-up time independent of the group sequence is needed between each two consecutive groups. A schedule specifies the sequence of groups and the sequence of jobs in each group. The quality of a schedule is measured by the criteriaF ₁, ...,F _m ordered by their relative importance. The objective is to minimize the least important criterionF _m subject to the schedule being optimal with respect to the more important criterionF _m–1 which is minimized on the set of schedules minimizing criterionF _m–2 and so on. The most important criterion isF ₁, which is minimized on the set of all feasible schedules. An approach to solve this multicriterion problem in polynomial time is presented if functionsF ₁, ...,F _m have special properties. The total weighted completion time and the total weighted exponential time are the examples of functionsF ₁, ...,F _m–1 and the maximum cost is an example of functionF _m for which our approach can be applied.The research of the authors was partially supported by a KBN Grant No. 3 P 406 003 05, the Fundamental Research Fund of Belarus, Project N 60-242, and the Deutsche Forschungsgemeinschaft, Project Schema, respectively. The paper was completed while the first author was visiting the University of Melbourne.     

Spectra of graphs and fractal dimensions II

This paper continues the study of exponentsd(x), d (x), d _R (x) andd (x) for graphG; and the nearest neighbor random walk {X _n } _nN onG, if the starting pointX ₀=x is fixed. These exponents are responsible for the geometric, resistance, diffusion and spectral properties of the graph. The main concern of this paper is the relation of these exponents to the spectral density of the transition matrix. A series of new exponentse, e ,e _R ,e are introduced by allowingx to vary along the vertices. The results suggest that the geometric and resistance properties of the graph are responsible for the diffusion speed on the graph.     

Estimates of logarithmic Sobolev constat for finite-volume continuous spin systems

LetM be a compact, connected Riemannian manifold (with or without boundary); we study the logarithmic Sobolev constant for stochastic Ising models on . Let {} be a sequence of cubes inZ ^d ; we show that the logarithmic Sobolev constant for the finite systems onM ^A shrinks at most exponentially fast in ||^(d-1)/d (d2), which is sharp in order for the classical Ising models withM=[–1, 1]. Moreover, a geometrical lemma proved by L. E. Thomas is also improved.     

On the two-dimensional stochastic Ising model in the phase coexistence region near the critical point

We consider the two-dimensional stochastic Ising model in finite square with free boundary conditions, at inverse temperature >₀ and zero external field. Using duality and recent results of Ioffe on the Wulff construction close to the critical temperature, we extend some of the results obtained by Martinelli in the low-temperature regime to any temperature below the critical one. In particular we show that the gap in the spectrum of the generator of the dynamics goes to zero in the thermodynamic limit as an exponential of the side length of , with a rate constant determined by the surface tension along one of the coordinate axes. We also extend to the same range of temperatures the result due to Shlosman on the equilibrium large deviations of the magnetization with free boundary conditions.