Polymerizable C70 derivatives with acrylate functionality for efficient and stable solar cells

Fullerene-based organic solar cells are generally suffering from severe microstructure evolution occurring in their bulk heterojunction active layers and thus are extremely stable. To address it, four polymerizable C₇₀ fullerene derivatives, [6,6]-phenyl-C₇₁-ethyl acrylate (PC₇₁EA), [6,6]-phenyl-C₇₁-propyl acrylate (PC₇₁PrA), [6,6]-phenyl-C₇₁-butyl acrylate (PC₇₁BA), and [6,6]-phenyl-C₇₁-pentyl acrylate (PC₇₁PeA), have been designed, synthesized, and investigated. These fullerene compounds have a molecular structure, shape and size very like the conventional C₇₀ fullerene acceptor, [6,6]-phenyl-C₇₁-butyric acid methyl ester (PC₇₁BM), and have been found no different in their light absorption, redox potentials, and frontier orbital energy levels. Using these fullerene acrylates individually as acceptor and poly(3-hexylthiophene) as donor, organic solar cells have been fabricated and gave optimal efficiencies ranging from 3.32% to 4.16%, comparable to PC₇₁BM-based reference cells (4.06%). Owing to their acrylate functionality, these fullerene derivatives can turn into insoluble upon heating, and thus endow their solar cell devices much better thermostability than PC₇₁BM-based reference cells. The best one, coming from PC₇₁PeA devices, reported an optimal efficiency of 4.16%, and maintained 91.7% efficiency after heat treatment at 150 °C for 35 h. As a sharp contrast, the PC₇₁BM reference cell dropped its optimal efficiency from 4.06% to 0.48% only after 5 h heat treatment. X-ray diffraction, optical and atomic force microscopy, and space-charge-limited current method have been carried out to understand active layer structure, morphology, and charge mobility change during heat treatment.     

Country road and field surface profiles acquisition,modelling and synthetic realisation for evaluating fatigue life of agricultural machinery

Fatigue life of agricultural machinery is strongly affected by the surfaces that these machines operate on. In the present paper a sensor-frame was developed to acquire road and field profiles in absolute geo-referenced coordinates. The sensor-frame was validated by measuring discrete trapezoidal bumps with known dimensions resulting in a root mean squared (RMS) error of 6–8 mm. Profiles were acquired from a country road and from a mowed grass field. Using the quarter-car vehicle model, the movement of an agricultural vehicle was simulated for various speeds. The resulted vertical loads were rainflow-counted and the accumulated fatigue pseudo damage was calculated using Palmgren–Miner linear rule. Based on the derived Power Spectrum Density (PSD), the profiles were classified according to ISO 8608 standard. Two methodologies were followed to model and create a number of synthetic realisations for each profile: Direct Spectrum Estimate (DSE) and ISO based modelling. Simulating the produced synthetic profiles with the quarter-car vehicle model, the corresponding pseudo damage was calculated. The accumulated damages from the DSE models were closer to the corresponding ones from the measured profiles. ISO based models could not model the profile irregularities, which proved to contribute the largest part of the accumulated fatigue damage.     

荧光光谱结合支持向量机测定食用色素纯度

采用一种由原点矩法改造所得的特征压缩算法对荧光光谱数据进行预处理,将处理后的数据与加权最小二乘支持向量机(WLS-SVM)算法结合,建立鲁棒回归模型,用以预测实际食用色素粉末的纯度。以亮蓝和胭脂红这2种色素为例论述该方法对实际食用色素粉末纯度的预测效果。首先,利用FLS920荧光光谱仪测量获得两种色素的标准样本和实际样本在最佳激发波长下的荧光发射光谱数据,利用由原点矩法改造所得的特征压缩算法对获取的荧光光谱数据进行压缩和变换,一方面缩短了算法的运算时间,另一方面也提高了模型的预测精度。将预处理后的荧光光谱数据输入加权最小二乘支持向量机中建立浓度预测模型,该模型对亮蓝、胭脂红实际样本溶液给出的预测光谱与它们的实测光谱吻合程度好,半高峰宽区间内的平均决定系数分别为0.662和0.931。所有亮蓝、胭脂红溶液的预测浓度和标称浓度之间具有良好的线性关系,相关系数分别为0.997和0.992。由此通过多项式拟合得到的亮蓝、胭脂红粉末的预测纯度分别为61.0%和72.3%。     

天然钻石与合成钻石的特异性光谱初步研究

通过紫外-可见-近红外(UV-Vis-NIR) 吸收光谱、傅里叶变换红外(FTIR)光谱及钻石观测仪( DiamondViewTM)对天然钻石、经辐照或热处理的天然钻石、高温高压(HTHP)合成钻石及化学气相沉积(CVD)合成钻石进行了较系统的谱图及微区生长结构的对比研究。结果表明：天然钻石、经辐照或高温退火处理后的天然钻石、高温高压(HTHP)合成钻石的UV-Vis-NIR吸收谱图在200～1 100 nm区间谱图的反射率变化明显。相比之下,CVD合成钻石的反射率的变化相对较小。基于钻石样品的红外光谱分析,在其图谱中的800～1 600 cm-1区间,合成钻石样品、特别是CVD合成钻石在上述区间无明显的特征吸收峰位。此外,DiamondViewTM检测表明：一般而言,经HTHP处理后的CVD合成钻石出现平行的位错线,并呈现淡蓝色荧光。部分天然钻石可见典型的八面体生长线或称为树的年轮状图像,且因样品经辐照与高温高压处理后其荧光图像的颜色发生改变。高温高压合成钻石呈现出块状几何生长图像。限于钻石样品类别的多样性及合成钻石工艺的复杂且不断更新特征,天然钻石与合成钻石 的UV-Vis-NIR或FTIR光谱特征存在一定的相似性,因此不具有典型天然钻石图谱特征的样品需进一步辅以DiamondViewTM、光致发光光谱等其他检测仪器予以综合分析。     

A New Synthetic Approach to Elvucitabine

A new synthetic approach to elvucitabine started from L-xylose via the reactions of 10 steps in an overall yield of 20% was developed. The key steps included trimethylsilyl trifluoromethanesulfonate(TMSOTf)-mediated stereocontrolled β-glycosidation and exquisite choice of chloroacetyl group for the protection of hydroxyl groups as well as the corresponding deprotection under notably mild conditions. The structure of elvucitabine, in particular, the stereochemistry thereof, was unambiguously determined by comparison of the physical properties, such as ¹H NMR data and the specific rotation, of the synthesized sample with those reported.     

Analysis of Synthetic Drugs in Chinese Medicine by High Performance Liquid Chromatography/Mass Spectrometry with In‐Source Collision Induced Dissociation

Sixteen chemical drugs, often found in adulterated Chinese medicine, were studied by high performance liquid chromatography/atmospheric ionization mass spectrometry. Under optimal conditions, three pairs of compounds were either coeluted or unresolved. The lack of chromatographic resolution and the lack of specificity in UV detection were overcome by a method based on high performance liquid chromatography/electrospray mass spectrometry. This method was capable of detecting the adulterants based on their retention times, molecular ions, and characteristic fragments resulting from in‐source collision induced dissociation.     

Signal Level Simulation Modeling for Antenna Array of Aperture Synthesis Radiometer Based on the Equivalent Complex Baseband Representations

This paper presents a signal-level simulation model for simulating the process that antenna array of Aperture Synthesis Radiometer (ASR) collecting thermal radiation and transforming thermal radiation signal into radio frequency (RF) signal. By using the equivalent complex baseband signals to represent the practical thermal radiation and RF signals, simulation efficiency is improved significantly. The statistic characteristics of simulation results are found to match the corresponding theoretical analysis well. Results of an imaging simulation experiment show that this model can be employed in ASR system-level simulator design.     

The unusual physicochemical properties of azulene and azulene-based compounds

This review shows the unusual physicochemical properties and wide application of azulene and its derivatives. The recent synthesis strategies of kinds of substituted azulene are also listed.     

Directed Homogeneous Hydrogenation [New Synthetic Methods (65)]

Stereochemical control is a major concern in the application of homogeneous catalysis to organic chemistry. In this context, the directed hydrogenation of olefins employing cationic rhodium or iridium catalysts has considerable potential, for very high selectivity can be attained under mild reaction conditions. The only requirement is a polar functional group in proximity to the double-bond which remains bound to the metal during the catalytic cycle and thereby controls the Stereochemical course of hydrogen delivery through the constraints of chelation. The substituent is most frequently a hydroxy group OH but can also be an ester, amide or carbamate group; other groups remain to be scrutinized. In cyclic compounds, directed hydrogenation can lead to face-selectivity, and the polar substituent may be in the β-, γ-, or δ-position to the double-bond. Acyclic stereoselection ensues with β- or γ-substituents in appropriate compounds, and the configuration of reduced product is predictable on the basis of simple rules. The application of optically active rhodium complexes leads to useful kinetic resolution procedures.     

New Reductive Transformations of Unsaturated Cyclic Hydrocarbons [New Synthetic Methods (66)]

The successive reduction of fully conjugated cyclic hydrocarbons leads to singly and multiply charged ions with unusual bonding. The charge distribution in these ions can be determined spectroscopically, and the information so obtained is then used in kinetically controlled trapping reactions for the regioselective introduction of electrophilic groups. When non-benzenoid substrates are used, syntheses become possible which can either not be carried out or can only be carried out with great difficulty in other ways. Examples of new preparative applications are cycloannelation and bridging reactions as well as polymerization reactions. The ion pair structure of the intermediate and the type of electrophile used are of paramount importance in controlling the mechanism of these reductive transformations.