2,3-Disubstituted Fluorene Scaffold for Efficient Green Phosphorescent Organic Light-Emitting Diodes

Fluorene is a classic three-membered polycyclic aromatic hydrocarbon, and it has been widely used in optoelectronic devices. Here we explore a simple and efficient strategy for the derivatization at the 2- and 3- positions in fluorene unit. By introducing different types of substituents, we design two pairs of 2,3-disubstituted fluorene isomers and use them as host materials for phosphorescent organic light-emitting diodes (PHOLEDs). The green PHOLEDs hosted by these fluorene derivatives realize high external quantum efficiencies (EQE) over 20 % with low efficiency roll-off. Particularly, the devices hosted by 2TRz3TPA and 2TPA3TRz achieve nearly 24 % EQE and 104 lm W⁻¹ power efficiency. These results clearly demonstrate that the 2,3-disubstituted fluorene platforms are potentially useful for constructing host materials.     

Research Progress and Application of Ion Funnel Technique

Ion funnel is a new-style ion guider which can reduce spatial divergence and energy dispersity of the transmission ions by using radio frequency (RF) electric field to confine the ions radially and the direct current (DC) axial electric field to move the ions toward the exit, and thus it can greatly increase the ion transmission efficiency and improve the sensitivity of the mass spectrometry. Since ion funnel was invented in 1997, it has attracted a close attention of mass spectrometry scientists all over the world. Ion funnel has been used in various kinds of mass spectrometry, and built a bridge with high efficiency ion transmission between low vacuum ionization source and high vacuum mass analyzer. In this paper, the principle, technology development, and application progress of ion funnel are reviewed, and the future prospects are prospected.     

Microwave‐associate synthesis of Co3O4 nanoparticles as an effcient nanocatalyst for the synthesis of arylidene barbituric and Meldrum's acid derivatives in green media

In this study, Co₃O₄ nanocatalysts were constructed in environmentally appropriate conditions using controlled, effective, and facile microwave method. The final nanostructures were characterized by SEM, XRD, and TEM analyses. The products had a small size distribution, homogeneous morphology, and crystallographic structures associated with the formation of Co₃O₄ nanostructures. Moreover, EDS mapping analysis confirmed the existence of Co and O elements in the final structure, and the magnetic properties of the samples were investigated by VSM. The application of this nanostructure in a catalytic process was further examined, and the results suggested that it could be used as a novel candidate for the synthesis of arylidene barbituric and Meldrum^,s acid through Knoevenagel condensation of aldehydes by barbituric and Meldrum^,s acid in aqueous media. The high yield of these nanocatalysts would be justified by the nature of the nanostructure as well as the experimental procedure developed in this study, which affected the physicochemical features of the products.     

利用静电场中光电离效率谱精确确定1,3-二乙氧基苯分子的电离能

电离能是原子和分子的重要的特性参数,在光物理和光化学过程中起着重要作用,精确电离能对相关研究具有重要意义.电离能是调试零动能光谱信号的重要参考数据,在判断异构物数量和分子构型方面也起着关键作用.1,3-二乙氧基苯是一种重要的苯的衍生物,实验证实在超声分子束中包含两种旋转异构物Ⅰ(downup)和Ⅲ(down-down).它们的精确电离能还未见文献报道.本文采用直线式飞行时间质谱仪测量了静电场中1,3-二乙氧基苯光电离效率曲线,通过不同电场强度下测量的电离能(Stark效应)对场强的平方根线性拟合给出了两种异构物Ⅰ和Ⅲ精确的电离能分别为(62419±2)cm^–1和(63378±2)cm^–1.相对于通常的脉冲电场加速机制和零动能光谱测量的电离能,精确度大约分别由(±10)cm^–1和(±5)cm^–1提高到(±2)cm^–1.分析和讨论了不同方法测量的物理机制和优缺点.     

Classical Backfitting for Smooth-Backfitting Additive Models

Smooth backfitting has been shown to have better theoretical properties than classical backfitting for fitting additive models based on local linear regression. In this article, we show that the smooth backfitting procedure in the local linear case can be alternatively performed as a classical backfitting procedure with a different type of smoother matrices. These smoother matrices are symmetric and shrinking and some established results in the literature are readily applicable. The connections allow the smooth backfitting algorithm to be implemented in a much simplified way, give new insights on the differences between the two approaches in the literature, and provide an extension to local polynomial regression. The connections also give rise to a new estimator at data points. Asymptotic properties of general local polynomial smooth backfitting estimates are investigated, allowing for different orders of local polynomials and different bandwidths. Cases of oracle efficiency are discussed. Computer-generated simulations are conducted to demonstrate finite sample behaviors of the methodology and a real data example is given for illustration. Supplementary materials for this article are available online.     

Estimating Individual Treatment Effect in Observational Data Using Random Forest Methods

Estimation of individual treatment effect in observational data is complicated due to the challenges of confounding and selection bias. A useful inferential framework to address this is the counterfactual (potential outcomes) model, which takes the hypothetical stance of asking what if an individual had received both treatments. Making use of random forests (RF) within the counterfactual framework we estimate individual treatment effects by directly modeling the response. We find that accurate estimation of individual treatment effects is possible even in complex heterogenous settings but that the type of RF approach plays an important role in accuracy. Methods designed to be adaptive to confounding, when used in parallel with out-of-sample estimation, do best. One method found to be especially promising is counterfactual synthetic forests. We illustrate this new methodology by applying it to a large comparative effectiveness trial, Project Aware, to explore the role drug use plays in sexual risk. The analysis reveals important connections between risky behavior, drug usage, and sexual risk. Supplementary material for this article is available online.     

Toward computational design of efficient plasticizers for nylon

Polyamides are semi‐crystalline polymers useful in a wide range of applications in the plastics industry. Some applications require higher flexibility and workability of the polyamides. Therefore, plasticizers are added to ease compounding and processing procedures and produce the desired product properties. The goal of the present study was to use computational tools to estimate plasticizer efficiency in plasticizing nylon 66/6. It is known that plasticizer efficiency is greatly influenced by structural effects of the plasticizer and the nature of the polymer, and therefore in this research, a systematic study is reported to explore these factors. A homology series of esters of 4‐hydroxybenzoate with various chain lengths of the alcohol moiety was examined. Also, the efficiency of linear plasticizers was compared to branched ones and stereoisomers were considered. Plasticizer efficiency was determined by calculating cohesive energy density (CED), solubility parameters, free volume and interaction intensities of pristine nylon and the nylon–plasticizer blends. It was found that plasticizer efficiency of esters with linear alcohol moiety is higher than branched chains. Whereas plasticizer efficiency increases when the branched side chain is more bulky, no coherent trend was observed for the linear side chain of the alcohol moiety. Surprisingly, a significant difference was observed between the pair of enantiomers. The most efficient plasticizer of the eight examined was the chiral molecule (R)‐2‐Methylbutyl‐4‐Hydroxybenzoate (R‐MB4HB), increasing the free volume of the nylon by 60‐fold (3‐fold greater than the original Methyl 4‐Hydroxybenzoate (M4HB)). Copyright © 2013 John Wiley & Sons, Ltd.     

Beiträge der Radiotracertechnik zur Rationalisierung einer großtechnischen Anlage zur Caprolactamproduktion

This paper reviews ways in which radioactive tracer techniques can he used to improve the efficiency of a caprolactam production plant, Residence time spectra and material distributions in different parts of the plant were measured by application of sodium 24, bromine 82 and technetium 99m. The investigations led to improved cumeneoxidators and gave useful informations on the catalytic decomposition of the phenolic tar and the hydrogenation process of phenol. It could he shown that the construction of the lactam extractor must he varied and the results of the tracerexperiments made in the distillation unit contributed to a higher quality of the final product.     

Characterization and Bioavailability of Vitamin C Nanoliposomes Prepared by Film Evaporation-Dynamic High Pressure Microfluidization

Vitamin C nanoliposomes were prepared by combining a conventional method (film evaporation) with dynamic high pressure microfluidization. Their physicochemical characterizations (antioxidant activity, particle size, entrapment efficiency, morphology, in vitro drug release, and storage stability) and skin permeation behavior were investigated. The results showed that vitamin C nanoliposomes, having equivalent DPPH (2, 2-diphenyl-1-picrylhydrazyl) free radical scavenging capacity of pure vitamin C solution without loss of their biological activity, exhibited better storage stability at 37°C for 24 hours and at 4°C for 60 days, a more excellent sustained drug release as well as higher skin penetration rate than vitamin C liposomes.     

Unpredictable adsorption and visible light induced decolorization of nano rutile for the treatment of crystal violet

Photocatalysts containing different ratios of anatase and rutile are prepared via heat treatment of Degussa P-25 titania. X-ray diffraction (XRD), Bruuauer-Emmett-Teller (BET), ultraviolet–visible light diffuse reflectance spectra (DRS), Raman spectra (Raman), positron annihilation lifetime spectra (PAL) and temperature-programmed desorption (TPD) are applied to investigate the phase composition of the synthesized catalysts. Using crystal violet (CV) as the target pollutant, the unexpected visible light decolorization of rutile is observed. Despite the decreased specific surface area, the as-synthesized rutile samples exhibit much higher adsorption capability of CV than P-25 does, which in turn leads to improved photoreaction efficiency. Since the rutile samples can't absorb the visible light, the degradation under visible light irradiation is attributed to self-sensitization of CV on the surface of rutile.