Insights into the Complexity of Weak Intermolecular Interactions Interfering in Host–Guest Systems

The recognition properties of heteroditopic hemicryptophane hosts towards anions, cations, and neutral pairs, combining both cation–π and anion–π interaction sites, were investigated to probe the complexity of interfering weak intermolecular interactions. It is suggested from NMR experiments, and supported by CASSCF/CASPT2 calculations, that the binding constants of anions can be modulated by a factor of up to 100 by varying the fluorination sites on the electron‐poor aromatic rings. Interestingly, this subtle chemical modification can also reverse the sign of cooperativity in ion‐pair recognition. Wavefunction calculations highlight how short‐ and long‐range interactions interfere in this recognition process, suggesting that a disruption of anion–π interactions can occur in the presence of a co‐bound cation. Such molecules can be viewed as prototypes for examining complex processes controlled by the competition of weak interactions.     

The Use of the Statistical Entropy in Some New Approaches for the Description of Biosystems

Some problems of describing biological systems with the use of entropy as a measure of the complexity of these systems are considered. Entropy is studied both for the organism as a whole and for its parts down to the molecular level. Correlation of actions of various parts of the whole organism, intercellular interactions and control, as well as cooperativity on the microlevel lead to a more complex structure and lower statistical entropy. For a multicellular organism, entropy is much lower than entropy for the same mass of a colony of unicellular organisms. Cooperativity always reduces the entropy of the system; a simple example of ligand binding to a macromolecule carrying two reaction centers shows how entropy is consistent with the ambiguity of the result in the Bernoulli test scheme. Particular attention is paid to the qualitative and quantitative relationship between the entropy of the system and the cooperativity of ligand binding to macromolecules. A kinetic model of metabolism. corresponding to Schrödinger’s concept of the maintenance biosystems by “negentropy feeding”, is proposed. This model allows calculating the nonequilibrium local entropy and comparing it with the local equilibrium entropy inherent in non-living matter.     

Effect of Mie resonance on photocatalytic hydrogen evolution over dye-sensitized hollow C-TiO_2 nanoshells under visible light irradiation

Light utilization is one of the key factors for the improvement of photocatalytic perfo rmance.He rein,we design C-TiO_2 hollow nanoshells with strong Mie resonance for enhanced photocatalytic hydrogen evolution in a dye-sensitized system under visible light irradiation(λ≥420 nm).By tuning the inner diameters of hollow nanoshells,the Mie resonance in hollow nanoshells is adjusted for better excitation of dye molecules,which thus greatly enhances the light utilization in visible light region.This work shows the potential of Mie resonance in nanoshells can be an alternative strategy to increase the light utilization for photocatalysis.     

双边配给问题的Shapley解及其在博物馆通票问题中的应用

双边配给问题描述了现实生活中一类带有二部图结构的稀缺资源配置问题, 例如, 在自然灾害期间救援物资的配给; 电力和天然气等自然资源按需分配; 高校引进人才调配等。本文通过求解线性规划, 并从联盟边际贡献的角度出发定义了双边配给问题的一个Shapley解。之后, 通过合作对策模型和解的公理化方法说明新解的合理性。首先, 建立双边配给问题的合作对策模型, 论证了新解与双边配给合作对策的Shapley值一致; 其次, 证明了Shapley解是唯一满足优先一致性的有效配给方案。最后, 将Shapley解应用于博物馆通票问题的研究, 探讨了博物馆合作制定通票后所得单票和通票收益的分配方式。     

基于Shapley值法的三级闭环供应链收益分配模型

以合作博弈为基本研究方法,构建了由制造商、第三方物流和零售商组成的三级闭环供应链收益分配模型,不同合作方式下各合作联盟收益的特征函数的计算结果表明:在采取合作时,各合作联盟的收益均大于或等于各成员在不合作时各自的收益之和,文章验证了在三级闭环供应链收益分配模型中应用Shapley值法的可行性,说明构建的收益分配模型具有普遍适用性.然后运用Shapley值法求得三级闭环供应链收益分配的合理均衡解,最后结合算例进行了分析论证.     

固态电解质中锂离子传输机理研究进展

固态电解质在室温下表现出非凡的离子导电性,使其有潜力应用于全固态锂离子电池.开发新的高性能固态电解质需要对锂离子传输机理及其规律进行深入研究.本文论述了近期研究中锂离子传输机理方面的研究进展,包括离子传输理论基础的概述;总结Li10GeP2S12、Li7La3Zr2O12和Li1+xAlxTi2-x(PO4)3固态电解...     

阴阳离子菁染料超快荧光动力学特性研究

采用飞秒荧光上转换技术,研究了阴阳离子菁染料及对应的阴离子和阳离子菁染料吸附在立方型和T型溴碘化银表面上形成J-聚集体的荧光衰减时间分辨特性,分析了几种菁染料增感体系的超快电子转移动力学过程及其对增感效率的影响.通过比较几种菁染料增感体系的荧光衰减特性,两种阴阳离子染料要明显快于阴离子染料、阳离子染料及二者的加合,说明阴阳离子染料聚集体到溴碘化银的电子注入速率较快,增感效果更好.对两种阴阳离子染料聚集体荧光衰减特性的比较,可以看出染料在T型颗粒溴碘化银上形成聚集体的荧光寿命更短,因而对T型颗粒的增感效果更好.染料Dye2的荧光衰减要快于染料Dye1,说明染料Dye2到溴碘化银的电子注入速率更快,增感效率更高.     

光敏热成像材料的化学增感进展

本文综述了近年来光敏热成像(PTG)材料在化学增感方面取得的相关新进展.在分析文献结果以及结合作者相关实验数据的基础上提出了进行化学增感的有效方法,即提高卤化银外部潜影的形成效率,或者提高银离子供应源在显影过程中的热迁移能力.文章对PTG材料在化学增感方面的发展提出了一些见解和想法.     

Spanning network games

We study fundamental properties of monotone network enterprises which contain public vertices and have positive and negative costs on edges and vertices. Among the properties studied are the nonemptiness of the core, characterization of nonredundant core constraints, ease of computation of the core and the nucleolus, and cases of decomposition of the core and the nucleolus. Received December 1994/Final version March 1998     

Sensitization of Luminescence of Europium Compounds on Solid Matrices by Terbium (III) Ions

The conditions of sensitization of the luminescence of Eu(III) by Tb(III) ions in complexes with inorganic (Na₂WO₄) and organic (nalidixic acid) ligands in sorbates on solid matrices (zeolite CaX and crystalline zirconium phosphate (ZrP)) and in coprecipitation with CaWO₄ have been investigated. It has been established that the maximum sensitization of the europium luminescence is attained in the case where Eu and Tb are present in a 1:0.5 ratio. In this case, the integral intensity of luminescence of Eu(III) (the band with _max = 612 nm) in the sorbate of its complex with nalidixic acid on ZrP accounts for more than 60% of the luminescence intensity of the industrial photoluminophor Y₂O₃:Eu (FL-612) possessing red luminescence, and the intensity of Tb(III) luminescence (the band with _max = 545 nm) accounts for about 40% of the luminescence intensity of the photoluminophor Gd₂O₂S:Tb possessing green luminescence.