Chiral separation of anticholinergic drug enantiomers in nonaqueous capillary electrophoresis

Nonaqueous capillary electrophoretic (NACE) method for the separation of nine structurally similar chiral anticholinergic drugs was developed. The eight drug enantiomers were separated on baseline within 18 min using 20mM phosphoric acid and 10 mM NaOH, containing 10 mM heptakis(2,3-dimethyl-6-sulfato)-4beta-cyclodextrin (HDMS-beta-CD) in methanol. The results were compared with those obtained in the high performance liquid chromatography system.     

New lower bounds on 2-spontaneous emission error designs

The combinatorial object named $t$-spontaneous emission error design ($t$-SEED) was proposed by Beth et al. in 2003 in order to correct errors caused by quantum jumps. The newly rising category of $t$-SEEDs has been studied extensively in recent years. Especially, the maximal possible dimensions for 2-SEEDs with block size 3 were determined completely; lower bounds on 2-SEEDs were established by applying affine groups. In this paper we utilize the action of twisted affine groups on finite fields and obtain new lower bounds on the dimensions of 2-$(q^2,k;m)$ SEEDs, some of which outperform the known ones.     

Ternary Sn-Ti-O Electrocatalyst Boosts the Stability and Energy Efficiency of CO2 Reduction

Simultaneously improving energy efficiency (EE) and material stability in electrochemical CO₂ conversion remains an unsolved challenge. Among a series of ternary Sn-Ti-O electrocatalysts, 3D ordered mesoporous (3DOM) Sn_0.3Ti_0.7O₂ achieves a trade-off between active-site exposure and structural stability, demonstrating up to 71.5 % half-cell EE over 200 hours, and a 94.5 % Faradaic efficiency for CO at an overpotential as low as 430 mV. DFT and X-ray absorption fine structure analyses reveal an electron density reconfiguration in the Sn-Ti-O system. A downshift of the orbital band center of Sn and a charge depletion of Ti collectively facilitate the dissociative adsorption of the desired intermediate COOH* for CO formation. It is also beneficial in maintaining a local alkaline environment to suppress H₂ and formate formation, and in stabilizing oxygen atoms to prolong durability. These findings provide a new strategy in materials design for efficient CO₂ conversion and beyond.     

Effect of post heat treatment on microstructure and photocatalytic activities of TiO2 nanoribbons

Low-dimensional TiO₂ nanoribbons were synthesized by a simple one-step hydrothermal method. The TiO₂ nanoribbons were calcined over the temperature range 200-800 °C in order to enhance their photocatalytic properties by altering their crystal phase and increasing crystallization. Effects of hydrothermal temperature, calcinated temperature and calcination time on the formation of nanostructures have been observed and characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The (BET) specific surface area of the samples which with different post treatments were determined by N₂ absorption-desorption experiment. In addition, photocatalytic activities of the nanoribbons were evaluated by photodegradation of organic dyes methyl orange under the radiation of UV light. The results reveal that the post-treatments have great effects on the microstructures and the photocatalytic activities of TiO₂ nanoribbons.     

变厚度圆柱壳的轴对称弯曲问题

本文详细地研究了厚度h=h_0ξ~的圆柱壳的轴对称弯曲问题.文中通过引入一个位移函数H(ξ),将该问题的方程组化成一个关于H(ξ)的6阶常微分方程,用广义超几何函数给出问题的精确解.     

松弛与蠕变力学特性转换关系的研究

本文首先论述了拉伸应力松弛模量Ｅ（ｔ）与拉伸蠕变柔量Ｄ（ｔ）之间的近似与精确转换关系式，提出一种诊断Ｄ（ｔ）的数值积分算法，通过应力松弛模量实验给出一种固体推进剂Ｅ（ｔ）和Ｄ（ｔ）的实测与转换计算结果，计算结果有较小的误差具有重要的实用价值。     

太赫兹波导滤波器的分析与设计

分析了不同宽边情况下对滤波器加工精度的影响,分析结果表明对于不同频段的滤波器,需要选择合适的谐振腔的宽边才能达到较好的性能,同时分析了不同谐振模式的滤波器对加工精度的影响,分析表明,对于太赫兹频段滤波器,选用TE101谐振模式时存在腔体长度会比波导的宽边小很多的情况,而选用高阶谐振模式不但可以提高滤波器的品质因数Q值,减少损耗,同时也能在一定程度上降低滤波器对加工精度的要求。最后以0.34 THz 4阶带通滤波器为例验证此方法的正确性,测试表明该滤波器最低损耗为-0.73 dB,在0.335~0.349 THz范围内损耗在-2 dB以内。     

没有复杂几何概念的单方向场壳体有限变形模型综述

基于Simo和Fox的工作, 介绍一种没有复杂几何概念的现代壳体有限变形理论. 在推导上, 使用三维连续介质理论, 运用现代力学的表示方法. 这个模型提供了非线性几何精确壳体理论的力学分析基础. 这种模型的一个优点是虽然将壳体仍然看作二维结构, 但是它没有复杂的微分几何概念, 如没有协变导数、Riemannian-Christoffel记号等. 另外,还介绍了壳体局部平衡的弱形式或变分表示, 这种表示特别适用于数值计算.      

2-(氟代己酰胺基)-苯甲醛与NH3反应生成3-(1-亚胺基氟烷基)- 1H-喹啉-2-酮的反应机理理论研究

采用密度泛函方法(DFT)研究了2-(氟代己酰胺基)-苯甲醛与NH3的微观反应机理. 在B3LYP/6-31G*水平上优化了反应物、过渡态、中间体及产物的几何构型, 通过振动分析确认了过渡态的结构, 并用内禀反应坐标方法(IRC)确认反应途径. 应用分子中的原子理论(AIM)分析了这些物质的成键特征. 报道了可能的反应通道, 其中Re→TS1→ IM1→TS2→IM2→TS3→IM3→TS4→IM7→TS11→IM9→TS12→IM10→TS13→IM11→TS14→P1具有相对较低的活化能, 是反应的主要通道, 理论预测的主要产物与实验吻合. 采用连续介质模型(PCM)方法研究了反应体系的溶剂化效应, 结果表明反应过程中各物质的能量比气相要低. 溶剂化效应使转化能垒有一定程度的升高.     

Synthesis and characterization of the water-soluble silica-coated ZnS:Mn nanoparticles as fluorescent sensor for Cu ions

Silica-coated ZnS:Mn nanoparticles were synthesized by coating hydrophobic ZnS:Mn nanoparticles with silica shell through microemulsion. The core–shell structural nanoparticles were confirmed by X-ray diffraction (XRD) patterns, high-resolution transmission electron microscope (HRTEM) images and energy dispersive spectroscopy (EDS) measurements. Results show that each core–shell nanoparticle contains single ZnS:Mn nanoparticle within monodisperse silica nanospheres (40 nm). Photoluminescence (PL) spectroscopy and UV–vis spectrum were used to investigate the optical properties of the nanoparticles. Compared to uncoated ZnS:Mn nanoparticles, the silica-coated ZnS:Mn nanoparticles have the improved PL intensity as well as good photostability. The obtained silica-coated ZnS:Mn nanoparticles are water-soluble and have fluorescence sensitivity to Cu²⁺ ions. Quenching of fluorescence intensity of the silica-coated nanoparticles allows the detection of Cu²⁺ concentrations as low as 7.3 × 10⁻⁹ mol L⁻¹, thus affording a very sensitive detection system for this chemical species. The possible quenching mechanism is discussed.