用于同步辐射的压电变形镜控制策略数值模拟北大核心CSCD

为了提高同步辐射中压电变形镜的控制自由度和面形精度,解决压电致动单元数量过多引起的解算电压受噪声影响异常波动(过拟合)问题,建立了变形镜模型并进行仿真控制。通过有限元仿真获得36组压电响应方程,构建面形与电压的数学模型;为补偿重力造成的镜面畸变,以获得的椭圆面形分析并比较了使用最小二乘法和Tikhonov正则化两种电压解算方案的控制效果。结果表明:采用Tikhonov正则化算法反演后,面形控制误差相比最小二乘法降低了21.7%,相邻极板间电压波动极大值从1.019 kV下降为0.174 kV,反演结果符合工程实际要求;系统对测试噪声具有鲁棒性,相比最小二乘法有更加优越的应用价值。     

π相移光纤光栅对超声波致非均匀应变场的传感特性

π相移光纤光栅用于水中超声传感时,超声波沿光纤轴向入射和垂直光纤入射时的传感波形及幅度显著不同。针对这一现象,本文建立了基于光学传递矩阵的光纤光栅声传感理论模型,计算了超声波分别沿轴向和沿垂直方向入射时π相移光纤光栅中的非均匀应变场分布,进而分析了光谱偏移,揭示了两种入射角度下π相移光纤光栅的传感特性与声传播导致的应变场分布相关,并通过实验进行了验证。结果表明,两种入射角度产生的不同的非均匀应变场分布对π相移光纤光栅的传感特性影响明显。超声波垂直入射时的传感波形和幅度均优于轴向入射,且π相移处对传感有显著作用。当入射位置远离π相移处时,垂直入射的响应也明显降低。本研究可为π相移光纤光栅超声传感的机理分析提供参考。     

Substrate treatment and precursor stoichiometry effects on the homoepitaxy of CdTe grown by MOVPE on detector-grade (111)B-CdTe crystals

We report the metalorganic vapour phase epitaxy (MOVPE) of CdTe layers on detector-grade travelling heater method (THM)-grown (111)B-CdTe substrates, a technological step towards the fabrication of homoepitaxial p–i–n diodes as nuclear radiation detectors. CdTe layers were grown at 330 °C using dimethylcadmium (Me₂Cd) and di-isopropyltelluride. A quantitative analysis of the substrate X-ray surface reflectivity after a sequence of treatment steps, i.e. (i) Br₂–methanol etching, (ii) in situ H₂ heat cleaning at 350 °C, and (iii) H₂ heat cleaning and annealing in H₂+Me₂Cd atmosphere, demonstrated that the rms roughness of the (111)B surface steadily decreases after each treatment, the smoothest surface being obtained after annealing in H₂+Me₂Cd. The growth of (111)-oriented homoepitaxial layers depends critically on a combination of in situ substrate treatment and precursor stoichiometry during the MOVPE process. CdTe layers grown under a 1:1 molar flow ratio between Te and Cd precursors on H₂ heat cleaned substrates show a polycrystalline structure and a rough surface morphology, an effect ascribed to poor material nucleation on the Te-rich (111)B surface, as left upon Br₂–methanol etching of the THM-grown crystal. Further annealing of the substrates in H₂+Me₂Cd shifts the Te:Cd stoichiometry of the crystal surface closer to the ideal 1:1 bulk value. Layers grown on such Cd-annealed substrates show a more (111)-oriented crystalline texture and substantially improved surface morphologies, but also the occurrence of a tetragonal secondary phase. Fully epitaxial (111)-oriented layers were instead obtained on H₂ heat cleaned substrates by growing under Cd-rich vapour conditions. PACS 61.10.Kw; 68.55.Jk; 81.65.-b; 81.05.Dz; 81.15.Gh; 81.15.Kk     

Determination of the carbohydrate composition and the disulfide bond linkages of bovine lactoperoxidase by mass spectrometry

The extent and distribution of N-glycosylation and the nature of most of the disulfide bond linkages were determined for bovine lactoperoxidase through proteolytic and glycolytic digestions combined with matrix-assisted laser desorption/ionization mass spectrometric analysis. In addition, 98% of the primary sequence of the protein was confirmed. All five of the asparagines present in sequons were found to be glycosylated, predominantly by high mannose and complex structures. Six disulfide bonds were assigned, including Cys 32-Cys 45, Cys 146-Cys 156, Cys 150-Cys 174, Cys 254-Cys 265, Cys 473-Cys 530 and Cys 571-Cys 596.     

Syntheses of Anthracene-Centered Large PAH Diimides and Conjugated Polymers**

Polycyclic aromatic hydrocarbon (PAH) structures with suitable electron-withdrawing groups are useful building blocks for developing optical and electron-transporting materials. Here, we report the application of a double benzannulation process to the syntheses of PAH diimides with enlarged π-frameworks featuring a central anthracene moiety. The preparations are realized by copper-catalyzed [4+2] cycloaddition of ethynyl-substituted aromatic dicarboximide to 2,5-bis(phenylethynyl)terephthalaldehyde, followed by intramolecular photocyclization or direct arylation via Heck cross coupling. A central symmetric benzo[1,2-k:4,5-k′]-bis(fluoranthene)-3,4,12,13-tetracarboxyl diimide (BFDI) is acquired, with the single crystal structure revealing its completely planar polycyclic skeleton. Such a shape-persistent PAH expectedly exhibits a tendency to stack face-to-face and forms J-aggregates. Moreover, BFDI can be difunctionalized site-selectively at the reactive 9 and 10 positions of the anthracene unit and then applied to prepare conjugated polymers. When coupled with 1,4-diketopyrrolo[3,4-c]-pyrrole (DPP) via thiophene and dithiophene linkers, two polymers with significantly broadened absorption bands extended to the near-infrared regime are obtained, evidencing the effective π-conjugative extension ability of BFDI unit.     

内嵌金属碳氮化物团簇富勒烯的稳定性与生成机理

Fullerene molecules have nano-scale cavities in which various metal or metal clusters of different sizes can be embedded to form metallofullerenes with unique core-shell structures. The physical and chemical properties of metallofullerenes can be modified through the interaction between the encapsulated metals and the fullerene cages. As such, the investigation of metallofullerenes with novel structures has been a principal research focus in the field of fullerenes. In this study, we investigated the size matching effect between encapsulated clusters and fullerene cages for the endohedral metal carbonitride clusterfullerenes in order to discover new metallofullerenes. The stability and electronic structure of the metallofullerenes formed by encapsulating M₃NC clusters (M = Y, La, Gd) into D₂(186)-C₉₆ and D₂(35)-C₈₈ fullerenes were studied using quantum chemical calculations. It was found that the fullerene cages formed stable structures by accepting six electrons transferred from the encapsulated clusters. The change in configuration of the encapsulated clusters was clarified by a comparison with the corresponding M₃N@C_2n metal nitride clusterfullerenes; the size matching effect between M₃NC cluster and fullerene cage was elucidated on the basis of the calculated results and previous studies on Sc₃NC@I_h(7)-C₈₀. For the D₂(186)-C₉₆ fullerene, the Gd₃NC cluster was found to have smaller changes in the configuration as compared with the La₃NC cluster, proving that Gd₃NC is more suitable than La₃NC for encapsulation in the D₂(186)-C₉₆ fullerene cage. In addition, it was determined that the La₃NC cluster requires a large structural change to maintain its planar configuration. For the D₂(35)-C₈₈ fullerene cage, the Y₃NC cluster is more suitable than Gd₃NC for encapsulation owing to the smaller size of the Y₃NC cluster. The spatial distribution of the highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) of Gd₃NC@D₂(186)-C₉₆ were found to be similar to those of Gd₃N@D₂(186)-C₉₆. However, a unique endohedral cluster-based occupied molecular orbital was found for Gd₃NC@D₂(186)-C₉₆. This orbital is derived from the interaction between the NC unit and the Gd atoms. The spatial distribution of the HOMO of Y₃NC@D₂(35)-C₈₈ is similar to that of Y₃N@D₂(35)-C₈₈, while the LUMO of Y₃NC@D₂(35)-C₈₈ has a much larger contribution from the endohedral cluster as compared to Y₃N@D₂(35)-C₈₈. Thus, the addition of a carbon atom in the cluster has a remarkable impact on the electronic structure of the metallofullerenes. With respect to structural characteristics, we found that the three fullerene cages, D₂(186)-C₉₆, D₂(35)-C₈₈, and I_h(7)-C₈₀, have a uniform distribution of five-membered carbon atom rings; these fullerenes can be greatly stabilized in the form of C_2n^6- anions. However, the formation mechanism of fullerenes and metallofullerenes, at present, is poorly understood. Based on the structural analysis, we propose a direct mechanism for the formation of fullerenes without the Stone-Wales isomerization, i.e., the rearrangement of five-membered rings through the addition of carbon atoms and the transformation into larger carbon cages while maintaining stable structural units.     

An integrated digital polymerase chain reaction chip for multiplexed meat adulteration detection

Meat adulteration detection is a common concern of consumers. Here, we proposed a multiplex digital polymerase chain reaction method and a low-cost device for meat adulteration detection. Using a polydimethylsiloxane microfluidic device, polymerase chain reaction reagents could be pump-free loaded into microchambers (40 × 40 chambers) automatically. Due to the independence of multiplex fluorescence channels, deoxyribonucleic acid templates extracted from different animal species could be distinguished by one test. In this paper, we designed primers and probes for four types of meat (beef, chicken, pork, and duck) and labeled each of the four fluorescent markers (hexachlorocyclohexane [HEX], 6-carboxyfluorescein [FAM], X-rhodamine [ROX], and cyanine dyes 5 [CY5]) on the probes. Specific detection and mixed detection experiments were performed on four types of meat, realizing a limit of detection of 3 copies/µL. A mixture of four different species can be detected by four independent fluorescence channels. The quantitative capability of this method is found to meet the requirements of meat adulteration detections. This method has great potential for point-of-care testing together with portable microscopy equipment.