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.     

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.     

电站锅炉系统性能仿真模型的建立

1引言根据热力学第二定律，燃料中的化学拥将近一半损失在锅炉的燃烧与传热过程中。因此，优化锅炉性能对降低整个火电机组的煤耗率具有明显效果。完整的锅炉系统由磨煤机、送风机、一次风机、弓讯机、炉膛、汽包、过热器、再热器、省煤器、空气预热器等单元组成，这些单元之间的联结错综复杂。本文建立了锅炉系统中通用单元的性能模型，并在此基础上，对锅炉系统的结构特点进行了分析，利用过程系统工程中的序贯模块法建立了整个锅炉系统的性能模型。对单元的划分、回路的切断及断裂流股的收敛与迭代策略提出了自己的观点。最后根据生产厂…     

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     

Some results on controllability of a nonlinear degenerate parabolic system by bilinear control

In this paper, we discuss the controllability of a nonlinear degenerate parabolic system with bilinear control. Based on the shrinking property of the solutions, we prove that the system is not globally approximately controllable. Furthermore, we give an approximate null controllability result. We also prove that the system is not globally exactly null controllable by a comparison principle.     

红黑排序混合算法收敛速度分析

The algorithm of applying the block Gauss elimination to the Red-Black or-dering matrix to reduce the order of the system then solve the reduced system byiterative methods is called Hybrid Red-Black Ordering algorithm.In this paper,we discuss the convergence rate of the hybrid methods combined with JACOBI,CG,GMRES(m).Theoretical analysis shows that without preconditioner thesethree hybrid methods converge about 2 times as fast as the corresponding natural ordering methods.For the case that all the eigenvalues is near the real axis, the GMRES(m) algorithm converges about 3 times faster than the natural ordering GMRES(m).Various numerical experiments are presented.For large scale prob-lem with preconditioners, numerical experiments show that the GMRES(m) hybrid methods converge from about 3 times to even 5 times as fast as the natural order-ing methods and the computing time is reduced to about 1/3 even 1/6 of that of the natural ordering methods.     

膨润土对结晶紫的吸附

用分光光度、显微电泳和ｘ－射线衍射等方法研究了膨润土对结晶紫的吸附；实验表明，钙型膨润土在吸收结晶紫溶液时，加入钠盐可明显改善吸附效果。     

柱前衍生高效液相色谱法测定四氢噻唑-2-硫酮-4-羧酸的光学纯度

用苯胺对四氢噻唑-2-硫酮-4-羧酸(TTCA)进行柱前衍生,将其衍生物在手性固定相上拆分,通过二极管阵列紫外检测器和在线旋光检测仪对其衍生物进行检测,建立了一种拆分TTCA消旋体、测定TTCA光学纯度的新方法。以正己烷和乙醇或异丙醇为流动相,在DNB-Leucine手性固定相上对TTCA衍生物进行了拆分,并考察了流动相组成和柱温对其衍生物分离的影响,获得较优分析条件,分离因子大于1.2。非手性试剂苯胺柱前衍生化法测定(R)-TTCA的光学纯度与旋光度方法比较,结果一致,相对偏差小于1.34%。