基于色谱–光谱联用和斜投影法分析丹皮酚含量

将色谱–光谱仪联用(HPLC–UV)法与斜投影法结合,建立了丹皮酚含量快速分析方法。通过色谱–光谱联用采集丹皮酚结晶母液的紫外多波长光谱三维数据,构建不含丹皮酚的背景数据库以及丹皮酚光谱数据库,基于斜投影法步骤测定了批量样本中丹皮酚含量。结果表明:该方法计算结果和高效液相色谱分析结果接近,相对误差小于5.0%。测定结果的相对标准偏差为0.4%~1.0%(n=5),回收率为98.8%~101.3%。该方法快速、准确,操作简单,可为丹皮酚结晶产品及各种制剂质量控制提供可行方案。     

Stability of fully discrete schemes with interpolation-type fractional formulas for distributed-order subdiffusion equations

Two fully discrete methods are investigated for simulating the distributed-order sub-diffusion equation in Caputo’s form. The fractional Caputo derivative is approximated by the Caputo’s BDF1 (called L1 early) and BDF2 (or L1-2 when it was first introduced) approximations, which are constructed by piecewise linear and quadratic interpolating polynomials, respectively. It is shown that the first scheme, using the BDF1 formula, possesses the discrete minimum-maximum principle and nonnegativity preservation property such that it is stable and convergent in the maximum norm. The method using the BDF2 formula is shown to be stable and convergent in the discrete H ¹ norm by using the discrete energy method. For problems of distributed order within a certain region, the method is also proven to preserve the discrete maximum principle and nonnegativity property. Extensive numerical experiments are provided to show the effectiveness of numerical schemes, and to examine the initial singularity of the solution. The applicability of our numerical algorithms to a problem with solution which lacks the smoothness near the initial time is examined by employing a class of power-type nonuniform meshes.     

A facile chemical reduction method for synthesis of platinum–iron catalysts on carbon fiber papers for methanol oxidation

To enhance catalytic activity and durability for methanol oxidation reaction (MOR), we have fabricated bimetallic Pt–Fe catalysts on carbon fiber papers (denoted as Pt–Fe@CFP) by a facile chemical reduction method using iron as the precursor, ascorbic acid and sodium hypophosphite as the reductants, respectively. When ascorbic acid is using as the reductant, the Pt–Fe@CFP catalysts are composed of platinum and disordered Pt–Fe phases. The atomic ratio between Pt and Fe can be adjusted by altering deposition conditions. The Pt–Fe@CFP catalysts with Pt/Fe ratio of 1.1, which deposited with surfactant CTAB in bath at room temperature, exhibit excellent catalytic activity and stability in MOR. However, when sodium hypophosphite is employed as the reductant, the co-deposition of phosphorus would lead to a decreased catalytic performance in MOR.     

High‐order compact schemes for fractional differential equations with mixed derivatives

In this article, we consider two‐dimensional fractional subdiffusion equations with mixed derivatives. A high‐order compact scheme is proposed to solve the problem. We establish a sufficient condition and show that the scheme converges with fourth order in space and second order in time under this condition.© 2017 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 2141–2158, 2017     

Density functional theory study of p‐chloroaniline adsorption on Pd surfaces and clusters

The adsorption mode of aromatic molecules on transition metal surfaces plays a key role in their catalytic transformation. In this study, by means of density functional theory calculations, we systematically investigate the adsorption of p‐chloroaniline on a series of Pd surfaces, including stepped surfaces, flat surfaces, and clusters. The adsorption energies of p‐chloroaniline on these substrates [Pd(221), Pd(211), Pd(111), Pd(100), Pd₁₃‐icosahedral, Pd₁₃‐cubo‐octahedron, Pd₅₅] are ?1.90, ?2.13, ?1.70, ?2.11, ?2.53, ?2.65, ?2.23 eV, respectively. Benzene ring is adsorpted on catalyst rather than amine group in p‐chloroaniline molecular. A very good linear relationship is further found between the adsorption energies of p‐chloroaniline and the d‐band center of both Pd surfaces and clusters. The lower of d‐band center of Pd models, the stronger adsorption of p‐chloroaniline on catalysts. In addition, the frontier molecular orbital and density of states analysis explain the adsorption energy sequence: cluster Pd₁₃ > stepped Pd(221) surface > flat Pd(111) surface. © 2014 Wiley Periodicals, Inc.     

Effect of film thickness on morphological evolution in dewetting and crystallization of polystyrene/poly(ε-caprolactone) blend films

In this Article, the morphological evolution in the blend thin film of polystyrene (PS)/poly(ε-caprolactone) (PCL) was investigated via mainly AFM. It was found that an enriched two-layer structure with PS at the upper layer and PCL at the bottom layer was formed during spinning coating. By changing the solution concentration, different kinds of crystal morphologies, such as finger-like, dendritic, and spherulitic-like, could be obtained at the bottom PCL layer. These different initial states led to the morphological evolution processes to be quite different from each other, so the phase separation, dewetting, and crystalline morphology of PS/PCL blend films as a function of time were studied. It was interesting to find that the morphological evolution of PS at the upper layer was largely dependent on the film thickness. For the ultrathin (15 nm) blend film, a liquid-solid/liquid-liquid dewetting-wetting process was observed, forming ribbons that rupture into discrete circular PS islands on voronoi finger-like PCL crystal. For the thick (30 nm) blend film, the liquid-liquid dewetting of the upper PS layer from the underlying adsorbed PCL layer was found, forming interconnected rim structures that rupture into discrete circular PS islands embedded in the single lamellar PCL dendritic crystal due to Rayleigh instability. For the thicker (60 nm) blend film, a two-step liquid-liquid dewetting process with regular holes decorated with dendritic PCL crystal at early annealing stage and small holes decorated with spherulite-like PCL crystal among the early dewetting holes at later annealing stage was observed. The mechanism of this unusual morphological evolution process was discussed on the basis of the entropy effect and annealing-induced phase separation.     

Seed‐Mediated and Iodide‐Assisted Synthesis of Gold Nanocrystals with Systematic Shape Evolution from Rhombic Dodecahedral to Octahedral Structures

We report the development of a seed‐mediated and iodide‐assisted method for the synthesis of monodisperse gold nanocrystals with systematic shape evolution from rhombic dodecahedral to octahedral structures. Particle growth is complete in 15 min at room temperature, so the process is fast and energy‐efficient. By progressively increasing the volume of KI used in a growth solution while keeping the amount of ascorbic acid added constant, nanocrystals with morphologies that vary from rhombic dodecahedral to rhombicuboctahedral, edge‐ and corner‐truncated octahedral, corner‐truncated octahedral, and octahedral structures were synthesized. The nanocrystals are monodisperse in size and readily form self‐assembled structures on substrates. By simply adjusting the volume of gold seed solution added to a growth solution, particle sizes of the octahedral gold nanocrystals can be tuned with average opposite corner‐to‐corner distances of 42, 48, 54, 60, 68, 93, 107, and 125 nm. In the presence of HAuCl₄, iodide may act as a reducing agent. Variation of its volume in the solution may slightly modulate the reduction rate and affect the final crystal morphology. Intermediate structures collected during crystal growth reveal the presence of many twisted structures that surround a developing nanocrystal core. This nanocrystal growth mechanism and the less important role of surfactant in directing the polyhedral nanocrystal morphology is discussed.     

体积相位全息光栅的设计与制备

本文指出全息干版薄膜在曝光后处理过程中的收缩性和折射率变化对制备全息光栅的周期、倾斜度、布喇格入射角及衍射角的影响问题,并根据实验数据对光栅设计进行修正,再结合Kogelnik衍射方程及折射率调制度和曝光量的线性关系,在实验中基本上能准确设计出指定周期、倾斜度和衍射效率的全息光栅。     

一维光子晶体的有效折射率及色散特性

对有限长度一维光子晶体引入了复有效折射率的概念.它的实部描述了一维光子晶体的色散特性, 虚部反映了光在光子禁带被损耗衰减而消失的特征.从具体计算λ/4 波片堆组成的一维光子晶体的复有效折射率的结果可以看到,它的实部受到光子带结构的调制,在光子禁带及透射带中的一部分出现反常色散现象.在很大的频率范围内,有效折射率变得小于1.     

QUANTITATIVE THEOREM AND SATURATION THEOREM FOR MULTIVARIATE RANDOMFUNCTIONS

1IntroductionSincetheapproximationaboutpositivelinearoperatorscanbenaturallyinterpretedasthecorrespondingtopicsinprobabilitytheoryswecanuseprobabilitymethodtoconstructorsolvetherelatedproblem([1],[2]).Meanwhile,thetechniquesandidealsusedinapproximationtheorycanbeusedtodealwithsomequestionsinprobabilitytheory,especiallytodiscussthelimittheoryandtoestimatetheconvergentrates.Recently,M.WebastudiedthecentrallimittheorybyusingKorovkintheoryinapproximationtheory([1],[2]).Correspondingtoclassofgene…