Influence of drying procedure on the mesoporosity and surface fractal dimensions of silica xerogels prepared with different agitation methods

Silica xerogels were prepared by thermal drying wet gels in an electric oven (70 degrees C) after certain duration of ambient drying, and the relevant effect is investigated on the mesopore structures and surface fractal dimensions of the resultant xerogels. The silica gels were derived from a hydrochloric acid-catalyzed TEOS (tetraethylorthaosilicate) system, and both magnetic stirring and ultrasonic vibration were adopted during sol preparation. The percentage mesoporosity and surface fractal dimensions are evaluated using image analysis methods, based on FE-SEM (field emission gun-scanning electron microscopy) images. The results show that the mesoporosity of the resultant xerogels decreases with the duration of ambient drying for samples prepared using magnetic stirring and low-intensity ultrasonic vibration, while samples subjected to high-intensity ultrasound show a somewhat reverse trend. Samples prepared with magnetic stirring have almost constant surface fractal dimensions (nearly 3), irrespective of the ambient drying before thermal drying. The surface fractal dimensions of samples prepared using ultrasound increase with the duration of ambient drying.     

The Synthesis of Some New N‐[1‐(2,5‐Dichlorophenyl)‐5‐Methyl‐1,2,3‐Triazol‐4‐yl]‐Carbamic Acid Ester Derivatives

The synthesis of some new N‐[1‐(2,5‐dichlorophenyl)‐5‐methyl‐1,2,3‐triazol‐4‐yl]‐carbamic acid ester derivatives are reported in this paper. The yielded products 6a‐l were confirmed by Elemental analyses, NMR, MS, and IR spectra.     

Identification and determination of effective components in Euphrasia regelii by capillary zone electrophoresis

A capillary zone electrophoresis (CZE) method has been developed for simultaneous determination of eukovoside, cinnamic acid and ferulic acid in Euphrasia regelii for the first time. The electrophoresis buffer was 20 mmol/L sodium borate containing 10% (v/v) methanol (pH 8.50). The effects of concentration of borate and electrolyte pH on electrophoretic behavior and separation were studied. Regression equations revealed linear relationships (correlation coefficients 0.9995-0.9998) between the peak area of each analyte and the concentration. The levels of analytes in the different parts of Euphrasia regelii were easily determined with recoveries ranging from 95.5 to 104.2%.     

Theoretical insights into the mechanism of acetylcholinesterase-catalyzed acylation of acetylcholine

Acylation of acetylcholine (ACh) catalyzed by acetylcholinesterase (AChE) has been studied using high-level theoretical calculations on a model system that mimics the reaction center of the enzyme, and compared with uncatalyzed acylation reaction. The geometries of all the intermediates and transition states, activation energies, and solvent effects have been calculated. The calculations predict simultaneous formation of two short-strong hydrogen bonds (SSHB) in the rate-determining transition state structures [the first SSHB involves the hydrogen atom of Ser-200 (H(s)) and another involves the hydrogen atom of His-440 (H(h))]. In the intermediate states, the H-bond corresponding to H(h) involves SSHB, whereas the one corresponding to H(s) does not.     

基于双尺度渐近分析的有限元算法

1．引言正如文山所说，由于复合材料和周期结构的材料系数ail（x）在局部区域内间断且跳跃性很大，加上区域内含有周期性洞穴或裂缝，且周期长度很小．一般而言，直接采用有限元方法进行数值模拟，其计算量大得惊人，甚至难以实现．文山针对这种特征，提出了一种可计算的双尺度渐近分析模式，本文在此基础上给出了相应的有限元算法，它包括：1．周期解在一个基本构造上的有限元计算；2．边界层的有限元计算．同时，给出了相应的误差分析．2．周期解的有限元计算首先考虑下列形式的边值问题；其中把，代E尸（on叫，iii（0关于E—（EI，ZZ…     

DMAO-activated Rare-earth Metal Catalysts for Styrene and Its Derivative Polymerization

The catalytic performance of rare-earth metal dialkyl complexes in combination with DMAO(dry methylaluminoxane) is explored.In the presence of 60 equivalents of DMAO,the half-sandwich complex(C₁₃H₈ CH₂ Ph)Sc(CH₂ SiMe₃)₂(THF)(1) is inert for styrene polymerization,but(C₅ Me₄ Ph)Sc(CH₂ C₆ H₄ NMe₂-o)₂(2) converts 18% styrene into syndiotactic polystyrene.Und...     

“Solid-Liquid” Vitrimers Based on Dynamic Boronic Ester Networks

The "solid-liquid" behavior of vitrimers have not been systematically investigated. Herein, a series of "solid-liquid" vitrimers bearing varying contents of dynamic boronic ester bonds were synthesized via thiol-ene click reactions. These vitrimers allow for flexibile modulation of their network structures and thus show a range of intriguing properties including high stretchability, flexible transition from elasticity to plasticity, strong strain rate dependence, and solid-liquid performance. Th...     

Analysis of secondary electron emission using the fractal method

Based on the rough surface topography with fractal parameters and the Monte–Carlo simulation method for secondary electron emission properties, we analyze the secondary electron yield(SEY) of a metal with rough surface topography. The results show that when the characteristic length scale of the surface, G, is larger than 1 × 10^-7, the surface roughness increases with the increasing fractal dimension D. When the surface roughness becomes larger, it is difficult for entered electrons to escape surface. As a result, more electrons are collected and then SEY decreases. When G is less than 1 × 10^-7,the effect of the surface topography can be ignored, and the SEY almost has no change as the dimension D increases. Then,the multipactor thresholds of a C-band rectangular impedance transfer and an ultrahigh-frequency-band coaxial impedance transfer are predicted by the relationship between the SEY and the fractal parameters. It is verified that for practical microwave devices, the larger the parameter G is, the higher the multipactor threshold is. Also, the larger the value of D,the higher the multipactor threshold.     

Analyze the Effect of Steaming on the Chemical Constituents,Defecation and Liver Injury of Polygonum Multiflorum Radix (Heshouwu) by Multiple Analysis Techniques Combined with Multivariate Statistics

Steaming is a characteristic pharmaceutical skill in Traditional Chinese Medicine (TCM). Polygonum multiflorum radix (PM) and its steamed products have been used in Asia for centuries. Raw Polygonum multiflorum radix (RPM) is commonly used to promote defecation but can exert toxicity, especially in liver injury. However, RPM can be made converted into Polygoni multiflori radix praeparata (PMP) by steaming; this is considered a good method to reduce defecation and liver injury caused by PM in Asia. The chemical constituents of TCM are the key to its action. We systematically analyzed the effect of steaming on PM constituents, defecation, and liver injury. We identified 13 main constituents from PM and PMP; the results showed that after being steamed, two constituents (TSG, catechin) had decreased, six constituents (such as procyanidin B1 or B2) had disappeared, four constituents (such as emodin, physcion) had increased, emodin-8-O-β-D-glucoside remained unchanged in PMP. Pharmacological experiments showed that PM could promote defecation; however, there were no obvious effects in response to PMP. Only a high dose of PM for 14 days caused some degree of liver injury, although this injury disappeared after 14 days of drug withdrawal. Network pharmacology and molecular docking studies showed that TSG, emodin and physcion were the most effective in promoting defecation and causing liver injury. Collectively, our findings show that steaming can reduce the effect of PM on promoting defecation and reducing liver injury. TSG may be one of the important constituents in PM that can promote defecation and cause liver injury.     

Integrating a Luminescent Porous Aromatic Framework into Indicator Papers for Facile,Rapid, and Selective Detection of Nitro Compounds

Porous aromatic framework materials with high stability, sensitivity, and selectivity have great potential to provide new sensors for optoelectronic/fluorescent probe devices. In this work, a luminescent porous aromatic framework material (LNU-23) was synthesized via the palladium-catalyzed Suzuki cross-coupling reaction of tetrabromopyrene and 1,2-bisphenyldiborate pinacol ester. The resulting PAF solid exhibited strong fluorescence emission with a quantum yield of 18.31%, showing excellent light and heat stability. Because the lowest unoccupied molecular orbital (LUMO) of LNU-23 was higher than that of the nitro compounds, there was an energy transfer from the excited LNU-23 to the analyte, leading to the selective fluorescence quenching with a limit of detection (LOD) ≈ 1.47 × 10⁻⁵ M. After integrating the luminescent PAF powder on the paper by a simple dipping method, the indicator papers revealed a fast fluorescence response to gaseous nitrobenzene within 10 s, which shows great potential in outdoor fluorescence detection of nitro compounds.