神经网络在波谱分析中的应用：用亚图估计和预测烷烃的^13C NMR

系统研究了神经网络在波谱分析中的应用，采用多层／三层前馈神经网络以误差反传及改进算法估计和预测Ｃ１－Ｃ１０的６０余种烷烃的化学位移。烷烃中碳原子由十余种对应于所谓根亚树的相嵌频率描述子所决定。这些描述子等于由１至６个碳原子组成的更小结构骨加组成。     

Enhanced photogalvanic effect in the two-dimensional MgCl2/ZnBr2 vertical heterojunction by inhomogenous tensile stress

The photogalvanic effect (PGE) occurring in noncentrosymmetric materials enables the generation of a dc photocurrent at zero bias with a high polarization sensitivity, which makes it very attractive in photodetection. However, the magnitude of the PGE photocurrent is usually small, leading to a low photoresponsivity, and therefore hampers its practical application in photodetection. Here, we propose an approach to largely enhancing the PGE photocurrent by applying an inhomogenous mechanical stretch, based on quantum transport simulations. We model a two-dimensional photodetector consisting of the wide-bandgap MgCl₂/ZnBr₂ vertical van der Waals heterojunction with the noncentrosymmetric C_3v symmetry. Polarization-sensitive PGE photocurrent is generated under the vertical illumination of linearly polarized light. By applying inhomogenous mechanical stretch on the lattice, the photocurrent can be largely increased by up to 3 orders of magnitude due to the significantly increased device asymmetry. Our results propose an effective way to enhance the PGE by inhomogenous mechanical strain, showing the potential of the MgCl₂/ZnBr₂ vertical heterojunction in the low-power UV photodetection.     

Hybrid approach to high-frequency microfluidic mixing

We report the experimental verification of the predicted chaotic mixing characteristics for a polydimethylsioxane microfluidic chip, based on the mechanism of multistage cross-channel flows. While chaotic mixing can be achieved within short passage distances, there is an optimal side channel flow pulsation frequency beyond which the mixing becomes ineffective. Based on the physical understanding of a Poincaré section analysis, we propose the installation of passive flow baffles in the main microfluidic channel to facilitate high-frequency mixing. The combined hybrid approach enables chaotic mixing at enhanced frequency and reduced passage distance in two-dimensional flows.     

CPA-矩阵法测定舒尔芬片剂中两组分的含量

本文采用ＣＰＡ－矩阵法不经分离同时测定舒尔芬片剂中双氯芬酸钠和磷酸可待因的含量。计算程序用ＢＡＳＩＣ语言编制。双氯芬酸钠和磷酸可待因的平均回收率及ＲＳＤ分别为９９．８５％，０．４６％和９９．８０％，０．５０％。方法简便、快速。     

离子交换法制备自聚焦透镜的理论基础

本文主要阐述离子交换法制备自聚焦透镜的几个理论问题,即为什么会产生折射率的梯度分布,确定交换离子的根据,选择母棒玻璃组成的原则,以及抛物线性梯度折射率的数学推导。     

Bing的伪弧刻划定理的另证

在齐一维连续体的近期研究中,借用E.G.Effros([1],定理2.1.p.39)关于变换群一条定理而得到 引理1 (Hagopian) 设M是齐连续体,对任ε>0,都存在σ>0,若x,y∈M,p(x,y)<δ,则存在M到自身上的ε-同胚,把x送到y。     

微乳液在生物碱薄层色谱分析中的应用

以十二烷基硫钠－正丁醇－正庚烷－水微乳液作为一咱全新的展开剂,进行了４１种生物碱的薄层色谱分析。研究结果不明,当微乳液为油包水型和双连续型（含水量１５％～６０％）时,具有与有机溶剂相似的作用,生物碱的Ｒf值多为０．２～０．８之间,层析结果满意。通过调节微乳液的含水量,即能获得适宜的展开系统,可用于生物碱的分离鉴定。     

C4−H alkoxylation of 6-bromoindole and its application to the synthesis of breitfussin B

Subjecting 6-bromoindole to an iridium-catalysed triborylation-diprotodeborylation sequence followed by Chan-Evans-Lam coupling gives 6-bromo-4-methoxyindole in good overall yield. This indole C4?H alkoxylation process was used in a formal synthesis of the natural product breitfussin B.     

Insight into Local Structure and Molecular Dynamics in Organic Solid‐State Ionic Conductors

Elucidating the rate and geometry of molecular dynamics is particularly important for unravelling ion‐conduction mechanisms in electrochemical materials. The local molecular motions in the plastic crystal 1‐ethyl‐1‐methylpyrrolidinium tetrafluoroborate ([C₂mpyr][BF₄]) are studied by a combination of quantum chemical calculations and advanced solid‐state nuclear magnetic resonance spectroscopy. For the first time, a restricted puckering motion with a small fluctuation angle of 25° in the pyrrolidinium ring has been observed, even in the low‐temperature phase (?45 °C). This local molecular motion is deemed to be particularly important for the material to maintain its plasticity, and hence, its ion mobility at low temperatures.     

基于JPEG2000的压缩图像纹理信息重建

提出了基于JPEG2000的压缩图像纹理信息重建的一种方法．该方法在编码端用高斯模型来描述图像的统计纹理信息，并对这些纹理信息进行统计和编码，在解码端根据编码的信息重建图像的纹理．通过和非线性量化扩展补偿法的结果在客观指标和主观品质上的比较，说明本文提出的方法可以通过较小的比特开销（低于10％）重建丢失的纹理信息，从而获取压缩图像的品质在主观视觉效果上的提高．