(Yb3+, Mn2+) Co-doped CdTe nanocrystals with enhanced quantum yields and red-shift emission

We prepared the nanocrystals (NCs) of CdTe, CdTe:Yb, and CdTe:Yb, Mn vis water phase synthesis and examined their structural, morphological, and optical properties. All NCs have a particle diameter of about 2–4 nm, and the monodispersed, uniform spherical, cubic structure of the CdTe NC remains largely unchanged after the doping with Yb and Mn. According to the X-ray diffraction results, the CdTe, CdTe:Yb, and CdTe:Yb, Mn NCs all have a cubic structure, and the diffraction peak of CdTe:Yb NC is at a lower 2θ angle compared with that of the CdTe NC. With the CdTe NC as the reference, the UV–Vis absorption of the CdTe:Yb and the CdTe:Yb, Mn NCs exhibits a blueshift and a redshift, and the emission of CdTe:Yb and CdTe:Yb, Mn has a blueshift of about 12 nm and a redshift of about 73 nm, respectively. The CdTe:Yb, Mn NCs have higher quantum yields than the CdTe:Yb NC, and the quantum yield is the highest when CdTe is doped with 1:1 Mn²⁺/Yb³⁺. In addition, both the CdTe:Yb and CdTe:Yb, Mn NCs have a shorter fluorescence lifetime than the CdTe NC.     

Testing multivariate uniformity and its applications

Some new statistics are proposed to test the uniformity of random samples in the multidimensional unit cube These statistics are derived from number-theoretic or quasi-Monte Carlo methods for measuring the discrepancy of points in . Under the null hypothesis that the samples are independent and identically distributed with a uniform distribution in , we obtain some asymptotic properties of the new statistics. By Monte Carlo simulation, it is found that the finite-sample distributions of the new statistics are well approximated by the standard normal distribution, , or the chi-squared distribution, . A power study is performed, and possible applications of the new statistics to testing general multivariate goodness-of-fit problems are discussed.

     

液滴撞击壁面铺展及换热过程数值模拟

基于喷雾冷却时液滴撞击壁面现象,本文采用CLSVOF(coupled level set and volume of fluid)方法对不同工况下单液滴撞壁过程进行数值模拟,获得了单液滴撞击热壁面动态特性;分析了初始速度、液滴直径等初始参数对液滴撞壁后的动态铺展规律以及壁面换热特性的影响规律,获得了上述参数变化时液滴铺展系数和热流密度的变化趋势;探讨了场协同效应、液滴内部气泡以及三线接触点对壁面换热的影响。碰壁现象的研究对于大型制冷机组室外机散热、高热流电子器件散热等领域优化与控制喷雾有重要意义。     

Investigation of Bessel beam propagation in scattering media with scalar diffraction method

Bessel beam propagation in scattering media is simulated using the angular spectrum method combined with slice-by-slice propagation model. Generating Bessel beams with a spatial light modulator, which provides a means to adjust flexibly the parameters of the Bessel beam, allows us to validate the simulation results experimentally. The study reveals that the self-reconstructing length changes oppositely with the axicon angle （i.e., the larger the axieon angle, the shorter the self-reconstructing length）. The radius of the incident beam has little influence on the self-reconstruction of the Bessel beam central lobe.     

Covalent bonding photosensitizer–catalyst dyads of ruthenium-based complexes designed for enhanced visible-light-driven water oxidation performance

Transition Metal Chemistry - We have successfully prepared two ruthenium-based covalent bonding photosensitizer–catalyst dyads through a simple procedure. 1H NMR spectra of both dyads show...     

Charge Transport through Peptides in Single‐Molecule Electrical Measurements

Charge transport across the peptide chains is one of the vital processes in the biological systems, so understanding their charge transport properties is an indispensable prerequisite to explain the complex biochemical phenomenon. Here, we review the charge transport mechanism, the influence of the special groups and the experimental conditions on the charge transport through the peptide backbone by employing the single‐molecule electrical measurements. Besides, we further review the recent progresses in charge transport properties of supramolecular interaction among the adjacent peptide chains. Finally, we discuss some experimental and theoretical contradictions existing in the charge transport through peptides and provide new inspiration for the future development of the bioelectronics at the single‐molecule scale.     

Optimizing Antimicrobial Peptide Dendrimers in Chemical Space

We used nearest‐neighbor searches in chemical space to improve the activity of the antimicrobial peptide dendrimer (AMPD) G3KL and identified dendrimer T7 , which has an expanded activity range against Gram‐negative pathogenic bacteria including Klebsiellae pneumoniae, increased serum stability, and promising activity in an in vivo infection model against a multidrug‐resistant strain of Acinetobacter baumannii. Imaging, spectroscopic studies, and a structural model from molecular dynamics simulations suggest that T7 acts through membrane disruption. These experiments provide the first example of using virtual screening in the field of dendrimers and show that dendrimer size does not limit the activity of AMPDs.     

结晶型聚合物注塑过程冷却模型的数值模拟

对HDPE平板状注塑件的冷却过程进行了数值模拟 .基于小分子结晶性物质的冷却模型 ,建立了固相、液相及固液相界面的控制方程 ,方程中引入热焓E和参数T 后 ,将带耦合条件的热传导方程转变为非线性抛物型方程 ,按控制容积法将其离散后 ,用数学软件Matlab获得了PE的三维温度场 ,这为探讨带相转变的热传导问题提供了一种有效的数值方法 .通过对制件芯层温度变化的模拟值与实验值的比较 ,比较了不同相变温度下理论结果的准确性 ,结果表明 ,在引入一定过冷度后 ,将相变温度定义在低于平衡熔点以下时 ,该方法的模拟值具有更好的准确性 .同时 ,模型分析了不同工艺条件对制件芯层冷却过程的影响 ,通过相变平台出现的先后以及终止时间的不同 ,说明充模温度主要影响熔体阶段的冷却以及相变出现的先后 ,而模具温度主要影响固体阶段的冷却以及相变平台终止的先后 .     

Local linear regression for data with AR errors

In many statistical applications, data are collected over time, and they are likely correlated. In this paper, we investigate how to incorporate the correlation information into the local linear regression. Under the assumption that the error process is an auto-regressive process, a new estimation procedure is proposed for the nonparametric regression by using local linear regression method and the profile least squares techniques. We further propose the SCAD penalized profile least squares method to determine the order of auto-regressive process. Extensive Monte Carlo simulation studies are conducted to examine the finite sample performance of the proposed procedure, and to compare the performance of the proposed procedures with the existing one. From our empirical studies, the newly proposed procedures can dramatically improve the accuracy of naive local linear regression with working-independent error structure. We illustrate the proposed methodology by an analysis of real data set.     

白藜芦醇探针同步荧光法测定蛋白质含量

在Tris-HCl缓冲溶液体系中(pH=7.4),白藜芦醇与人血清白蛋白相互作用,对蛋白的内源性荧光产生猝灭作用,而且,同步荧光的强度与人血清白蛋白的浓度成正比。 基于此,建立了以白藜芦醇为荧光探针,运用固定波长同步荧光光谱法测定生物样品中蛋白质含量的新方法。 体系同步荧光光谱特征及强度受Δλ、反应介质和离子强度等因素的影响。 在最佳实验条件下,体系的同步荧光强度(I)与人血清白蛋白在1.380~276.0 mg/L的浓度范围内呈良好的线性关系,检测限为1.037 mg/L(n=11)。 对血清、尿样和唾液等生物样品进行测定,回收率在93.5%~105.8%之间,与传统的考马斯亮蓝(G-250)法作对照,结果一致。