High-performance nonfused ring electron acceptor with a steric hindrance induced planar molecular backbone

Three nonfused ring electron acceptors (NFREAs) TTC6,TT-C8T and TT-TC8 were purposefully designed and synthesized.The molecular geometry can be adjusted by the steric hindrance of lateral substituents.According to the DFT calculations,from TTC6 to TT-C8T and TT-TC8,planarity of the molecular backbone is gradually improved,accompanying with the enhancing of intramolecular charge transfer effect.As for TT-TC8,the two phenyl substituents are almost perpendicular to the molecular backbone,which endues the acceptor with good solubility and suppresses it to form over-aggregation.Multidirectional regular molecular orientation and closer molecular stacking are formed in TT-TC8 film.As a result,TT-TC8 based devices afford the highest PCE of 13.13%,which is much higher than that of TTC6 (4.41%) and TT-C8T (10.42%) and among the highest PCE values based on NFREAs.     

Simultaneous determination of cinnamaldehyde and its metabolite in rat tissues by gas chromatography–mass spectrometry

Cinnamaldehyde (CA), an active ingredient isolated from the traditional Chinese medicine Cortex Cinnamomi, has a wide range of bioactivities. To clarify the distribution characteristics of CA, a selective and sensitive method utilizing gas chromatography–mass spetrometry was initially developed for simultaneously determining the concentration of CA and its metabolite cinnamyl alcohol in rat tissues. Selected ion masses of m/z 131, 105 and 92 were chosen, and separation of the analytes was performed on a DB‐5 ms (30 m × 0.25 mm, 0.25 µm, thickness) capillary column by gas chromatography–mass spectrometry. The calibration curves demonstrated good linearity and reproducibility over the range of 20–2000 and 20–4000 ng/mL for various tissue samples. Recoveries ranged from 86.8 to 107.5%, while intra‐ and interday relative standard deviations were all <11.3%. The analysis method was successfully applied in tissue distribution studies for CA and cinnamyl alcohol. As CA and cinnamyl alcohol may inter‐convert to one another, simultaneous determination of both analytes provides a comparative and accurate data for tissue study. The concentrations of CA and cinnamyl alcohol remaining in spleen were the highest among the main organs, including heart, liver, spleen, lung, kidney and brain. In addition, there was no long‐term accumulation of CA in rat tissues. Copyright © 2014 John Wiley & Sons, Ltd.     

盐酸伊达比星杂质A的合成工艺优化及其高效液相分析

通过对盐酸伊达比星脱羟基杂质A的合成研究，为盐酸伊达比星的质控标准提供参考。以盐酸伊达比星为起始原料，经过4步反应得到脱羟基杂质A。本文提供了盐酸伊达比星杂质A的制备方法以及高效液相色谱分析方法，为杂质含量控制提供了依据。该工艺可以稳定、快速制备高纯度脱羟基杂质A，制备总收率为57.20%，纯度为57.20%，其结构经¹H NMR， ¹³C NMR和MS(ESI)表征。     

流体静高压下的锂离子导电性

本文改进实验方法,在0.0001—1.23GPa流体静高压下测量了整片非晶锂离子导体B₂O₃-0.7Li₂O-0.7LiCl-xAl₂O₃(x=0.05;0.15)及其粉末压片的离子电导率及激活体积。发现粉末压片电导率峰值是由非晶微粒间的接触电导及非晶微粒体电导两者叠加;对整片非晶电导率的压力效应用离子迁移通道的物理图象给出初步的微观解释。此外,还观测到氧化铝组分减少使电导率的压力转变点明显降低;测量出不同温度热处理以及300℃等温热处理4—20h后离子电导率-压力曲线的变化规律,仍可归因于非晶态相分离及两种非晶相的先后晶化。 关键词：     

A novel methodology for the synthesis of 1-desoxy-Δ-tetrahydrocannabinol (THC) analogues

A versatile and efficient sequence was developed for the synthesis of 1-desoxy-Δ⁸-THC analogues and is demonstrated by the synthesis of sulfonamide analogues with an acetylene group at the C-2^′ position in the side chain. In this procedure the 1-desoxy-Δ⁸- THC ring structure is built first and the synthesis of the side chain is then developed.     

螺旋线径向挤压变形对其慢波结构冷测特性的影响

 介绍了用MAFIA软件的准周期边界条件计算螺旋线行波管慢波结构的色散和耦合阻抗，以及用ANSYS软件对螺旋线径向挤压变形建模的方法，并对螺旋线受挤压径向变形对其冷测特性的影响进行了详细的分析。结果表明:螺旋线径向挤压变形会导致相速增大，而在通常的变形范围内耦合阻抗也会增加；当变形继续增大时耦合阻抗上升到最大值后开始下降。     

防紫外线伞ATR-OMNI采样器的FTIR分析

本实验使用OMNI采样器，直接对伞面内外进行单反射ATR的分析，快速、简便、不破坏样品，得到分辨率很好的红外图谱，再配合红外谱库的谱图检索，可以分别得到匹配率95％以上的尼龙－6和聚酯型聚氨酯的分析结果。     

非晶态锂离子导体B2O3-0.7Li2O-0.7LiCl-xAl2O3-0.1V2O5的电学性质和电子自旋共振研究

对两种非晶态B₂O₃-0.7Li₂O-0.7LiCl-xAl₂O₃-0.1V₂O₅(x=0.05和0.15),用差热分析、电导率测量、X射线衍射和电子自旋共振进行研究,发现:1)V₂O₅不仅作非晶网络形成剂,而且改变了晶化过程;2)对B₂O₃-Li_{2关键词：}     

牛顿弦截法预估校正迭代格式的收敛阶

研究如下形式的牛顿弦截法的预估校正(P.C.)格式:P(预估):~xk+1=xk-(xk-xk-1)f(xk)f(xk)-f(xk-1)C(校正):xk+1=xk-(~xk+1-xk)f(xk)f~(xk+1)-f(xk)证明了它的收敛阶为2.618.     

质子化丙酮分子团簇的结构和振动光谱

用密度泛函B3LYP/ 6 3 1G(d)方法 ,对质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)弱相互作用体系进行了全自由度能量梯度优化 ,得到了该系列团簇的稳定结构及其对应的体系能量 .通过对构型的分析得出了质子化丙酮分子团簇 (CH3COCH3) nH+ (n =1～ 7)的生长规律 .计算了中性丙酮分子团簇体系的质子亲合能并总结出其变化趋势 .分析讨论了质子化团簇的红外振动光谱 ,发现质子化团簇的振动光谱普遍较中性环型团簇的振动光谱复杂 ,最强的振动峰来源于质子在溶剂壳中两个氧原子之间的振动 ,而且随着团簇尺寸的增加羰基的伸缩振动峰的数目也随之增多