Toggle-switchable fluorescence of bisindolylmaleimide derivatives by reversible esterification/hydrolysis

Isomers based on the bisindolylmaleimide architecture were reported in this Letter. Introducing hydroxyl to this architecture lead to quenching the fluorescence of bisindolylmaleimide. The fluorescence was recovered with its hydroxyl group esterified. Ester group can be easily transformed to hydroxyl group by hydrolysis reaction. Thus, a toggle-switchable fluorescence, ‘off-on’ cycle can be established on the basis of reversible esterification/hydrolysis reaction.     

Oxygen vacancy pairs on CeO2(110): A DFT + U study

Oxygen vacancy pairs have been suggested to play a role in the reduction of NO molecules on ceria and for the oxidation processes of reducible rare-earth oxides. The formation energy of the oxygen vacancy pairs and the changes in the structural and electronic properties of the ceria (110) surface with oxygen vacancy pairs are investigated using density-functional theory (DFT + U) methodology within the generalized gradient approximation. It is found that the excess electrons localize on the Ce ions neighbouring the vacancies, and the most stable structure for the oxygen vacancy pairs on the ceria (110) surface is at next-nearest-neighbour site.     

Interaction of diethyl aniline methylphosphonate with DNA: Spectroscopic and isothermal titration calorimetry

In this study the diethyl aniline methylphosphonate (DAM) was synthesized, the interaction of DAM with ct-DNA has been investigated by fluorescence spectra, UV spectra, molecular modeling and isothermal titration calorimetry (ITC). The binding constant of DAM to ct-DNA calculated from both isothermal titration calorimetry and fluorescence spectra were found to be in the 10⁴ M⁻¹ range. According to the ethidium bromide displacement studies, UV spectra and isothermal titration calorimetry experimental results, it can be concluded that DAM is an intercalator that can slide into the G-C rich region of ct-DNA. Furthermore, the results obtained from molecular modeling corroborated the experimental results obtanied from spectroscopic and ITC investigations. At the same time, fluorescence spectra suggested that the mechanism of the interaction of DAM to ct-DNA was a static enhancing type. ITC data showed that ct-DNA/DAM binding is enthalpy controlled.     

Finite barrier width effects on exciton states and optical properties in wurtzite InGaN/GaN quantum well

Exciton states and optical properties in wurtzite (WZ) InGaN/GaN quantum well (QW) are investigated theoretically, considering finite barrier width and built-in electric field effects. Numerical results show that when the barrier width increases, the ground-state exciton binding energy, the interband transition energy and the integrated absorption probability increase first and then they are insensitive to the variation of the barrier width. For any barrier width, the ground-state exciton binding energy and the integrated absorption probability have a maximum when the well width is 1 nm; moreover, the integrated absorption probability goes to zero when the well width is larger than 6 nm. In addition, the competition effects between the built-in electric field and quantum confinement are also investigated in the WZ InGaN/GaN QW.     

微波-模板法合成锂离子电池正极材料LiMn2O4机理的光谱学研究

采用微波-PAM模板法合成了具有尖晶石结构的锰酸锂材料,利用动态红外光谱（FTIR）对该方法的反应机理进行了研究。在前驱体的制备和在LiMn2O4晶核形成过程中,由于聚丙烯酰胺与反应母体之间的弱键合作用,使其在晶粒生长过程中对LiMn2O4的团聚规律与缺陷结构起到重要调控作用。     

Mass spectrometry of molecules and radicals in glow discharge plasma

The article represents a method and equipment developed for mass spectrometric analysis of plasma, that is, for measurement of concentration of atoms and molecules, and their fragments, including free radicals. A compact and inexpensive mass spectrometer is based on a quadrupole residual gas analyzer (RGA-200, Stanford Research Systems). The design of the two-section differential pumping chamber makes it possible to bring the mass-spectrometer analyzer to the entrance diaphragm to a distance of 40 mm in order to measure quick reacting and easily condensed particles. The equipment was used for analyzing the composition of spherical glow discharge plasma in methanol vapor and acetone-nitrogen mixture. A procedure for mass spectrum processing is proposed. Time-varying concentrations of all observed neutral particles are measured. Presently available data on sections of complete and dissociative ionization of molecules and their fragments, which are necessary for reconstructing concentrations of particles in plasma from measured mass spectra, are presented.     

一种基于TOPSIS法的单值中智多属性决策新方法

单值中智集(SVNS)是中智集(NS)的一种特殊情况,它可以描述现实世界中大量存在的不精确、不确定和不一致信息.由于语言评价的模糊性,传统的模糊评价方法在解决多属性决策(MADM)问题上效果不佳.针对这种情况,提出了一种基于TOPSIS法的单值中智多属性决策新方法.首先介绍了中智集的一些基本概念和运算规则,给出了两个单...     

通过不对称氢转移/动态动力学拆分合成碳环N^3-嘌呤核苷

N^3-嘌呤核苷由于可能同时被嘌呤和嘧啶代谢酶识别,因而有望作为双靶点药物应用于抗病毒治疗.报道了一种以α-(N^3-嘌呤)取代的环烷酮为原料,通过不对称氢转移反应实现动态动力学拆分,高收率高立体选择性地合成系列碳环N^3-嘌呤核苷化合物.该催化体系也适用于α-嘧啶取代的环烷酮底物,且产物通过进一步衍生,合成了2’-F-,Ac S-,N^3-修饰的碳环嘧啶核苷.