XPS定量分析及其在CdTe（Ⅲ）面识别化学物种中的应用

我们用谱仪能量传输函数修正的相对原子灵敏度因子获得了ＸＰＳ定量数据。通过将定量结果与结合能的化学位移相结合的方法，分析了ＣｄＴｅ表面的两个氧化过程，结果表明，机械抛光样品表面的构成是：６６％ＣｄＴｅ，２８．９％的Ｃｄ（ＯＨ）２和５．１％ＴｅＯｘ（Ｘ＞２），而经化学抛光的表面构成是∶８４．４％的ＴｄＴｅＯ４和１５．６％ＴｅＯｘ（Ｘ＞１）。     

Hexacyanoferrate‐based ionic liquids as Fenton‐like catalysts for deep oxidative desulfurization of fuels

Two hexacyanoferrate‐based ionic liquids, [C₄Py]₃Fe(CN)₆ and [C₁₆Py]₃Fe(CN)₆, were synthesized and characterized using Fourier transform infrared and mass spectroscopies and CHN analysis. They were employed as Fenton‐like catalysts in extraction and catalytic oxidative desulfurization of model oil with dibenzothiophene (DBT), benzothiophene (BT), 4,6‐dimethyldibenzothiophene (4,6‐DMDBT), 4‐methyldibenzothiophene (4‐MDBT) and 3‐methylbenzothiophene (3‐MBT) as substrates. Various polar solvents, such as ionic liquids, water and organic solvents, were applied to choose a suitable extractant. The results showed the removal of DBT reached 97.1% with [C₄Py]₃Fe(CN)₆ as a catalyst and 1‐n‐octyl‐3‐methylimidazolium hexafluorophosphate ([C₈mim]PF₆) as an extractant under optimal conditions. The activity of sulfur removal followed the order DBT > 3‐MBT > BT > 4‐MDBT >4,6‐DMDBT. The effect of water content on sulfur removal was investigated by adding various concentrations of H₂O₂. It was found that excess water had a positive effect on sulfur removal but the catalysts were less sensitive than [FeCl₄^?]‐based catalysts to water. The mechanism was studied using electron spin‐resonance spectroscopy and gas chromatography–mass spectrometry. O₂^?? may be the active oxygen species in the catalytic oxidative desulfurization process and the oxidation products of various sulfur compounds were the corresponding sulfoxides and sulfones. Copyright © 2016 John Wiley & Sons, Ltd.     

Magneto-optical visualization of three spatial components of inhomogeneous stray fields

The article deals with the physical principles of magneto-optical visualization (MO) of three spatial components of inhomogeneous stray fields with the help of FeCo metal indicator films in the longitudinal Kerr effect geometry. The inhomogeneous field is created by permanent magnets. Both p- and s-polarization light is used for obtaining MO images with their subsequent summing, subtracting and digitizing. As a result, the MO images and corresponding intensity coordinate dependences reflecting the distributions of the horizontal and vertical magnetization components in pure form have been obtained. Modeling of both the magnetization distribution in the indicator film and the corresponding MO images shows that corresponding to polar sensitivity the intensity is proportional to the normal field component, which permits normal field component mapping. Corresponding to longitudinal sensitivity, the intensity of the MO images reflects the angular distribution of the planar field component. MO images have singular points in which the planar component is zero and their movement under an externally homogeneous planar field permits obtaining of additional information on the two planar components of the field under study. The intensity distribution character in the vicinity of sources and sinks (singular points) remains the same under different orientations of the light incidence plane. The change of incident plane orientation by π/2 alters the distribution pattern in the vicinity of the saddle points.     

Octapeptide-Specific and Sensitive Assay for Angiotensin II in Plasma

Abstract

Angiotensin-(1–8)octapeptide (angiotensin II) is the active principle of the reninangiotensin system. Crossreaction of angiotensin II-antisera with inactive precursors and metabolic fragments prevented the specific quantitation of this hormone in biological fluids. Peptide-extraction on bonded-phase silica followed by peptide-separation using isocratic reverse-phase high performance liquid chromatography and subsequent radioimmunoassay rendered possible the octapeptide-specific measurement of angiotensin II in 2 ml plasma with a detection limit of 0.4fmol/ml. The coefficient of variation for intra-assay precision was 0.06 and for inter-assay precision 0.13. ¹²⁵Iangiotensin II was recovered from plasma by solid-phase extraction to 99±2% (mean ± S.D.). The overall recovery of 5, 10 and 20 fmol unlabeled angiotensin II added to plasma was 80±10%. Plasma concentrations in supine normal humans averaged 4.1 ± 1.6 fmol/ml and were suppressed below the detection limit by angiotensin I converting enzyme inhibition.     

环路跟踪卡尔曼滤波算法的性能分析

基于卡尔曼滤波的环路跟踪算法多是通过一定仿真证明算法性能,没有系统性性能评估,难以较好指导工程应用。在原有算法基础上进行了优化,并系统性地对比分析、评估了基于卡尔曼环路滤波算法性能,以期为算法工程化提供指导。首先提出对跟踪环路反馈调整量进行预测,使之更符合系统实际,减小环路跟踪误差。而后基于卫星信号模拟器输出信号和自生产信号源,充分评估基于卡尔曼滤波环路跟踪算法的收敛时间和灵敏度。仿真结果表明,相比目前工程常用的二阶FFL辅助三阶PLL算法,基于卡尔曼滤波环路跟踪算法能够缩短环路所需稳定时间约90%,并能提升跟踪灵敏度约5 d B,有效改善弱信号场景中接收机输出信息的完好性和连续性。     

IMPORTANCE MEASURE OF CORRELATED VARIABLES IN POLYNOMIAL OUTPUT

为了解决一般工程问题中输出量为多项式情况下相关正态输入变量的贡献识别问题，以二次不含交叉项的多项输出量为例，利用多维相关正态分布及其条件分布的性质，解析地推导了相关正态输入变量对输出量总方差的独立贡献及相关贡献，采用算例验证了所推导的解析表达式的正确性．文中所推导的相关正态变量独立贡献和相关贡献的表达式可直接用于输出量为二次不含交叉项多项式或一次多项式情况下的输入变量贡献的识别，并且为其他新的算法提供了对照解，另外此方法亦可以推广至含交叉项的高阶多项式，解决更为复杂输出量情况下输入量的贡献识别问题．     

Bayesian robustness under a skew-normal class of prior distribution

We develop a global sensitivity analysis to measure the robustness of the Bayesian estimators with respect to a class of prior distributions. This class arises when we consider multiplicative contamination of a base prior distribution. A similar structure was presented by van der Linde [12]. Some particular specifications for this multiplicative contamination class coincide with well known families of skewed distributions. In this paper, we explore the skew-normal multiplicative contamination class for the prior distribution of the location parameter of a normal model. Results of a Bayesian conjugation and expressions for some measures of distance between posterior means and posterior variance are obtained. We also elaborate on the behavior of the posterior means and of the posterior variances through a simulation study.     

Determination of Ti-6242 α and β slip properties using micro-pillar test and computational crystal plasticity

The properties and behaviour of an α−β colony Ti-6242 alloy have been investigated at 20 °C utilising coupled micro-pillar stress relaxation tests and computational crystal plasticity. The β-phase slip strength and intrinsic slip system strain rate sensitivity have been determined, and the β-phase shown to have stronger rate sensitivity than that for the α phase. Close agreement of experimental observations and crystal plasticity predictions of micro-pillar elastic-plastic response, stress relaxation, slip activation in both α and β-phases, and strain localisation within the α−β pillars with differing test strain rate, β morphology, and crystal orientations is achieved, supporting the validity of the properties extracted. The β-lath thickness is found to affect slip transfer across the α−β−α colony, but not to significantly change the nature of the slip localisation when compared to pure α-phase pillars with the same crystallographic orientation. These results are considered in relation to rate-dependent deformation, such as dwell fatigue, in complex multiphase titanium alloys.     

Efficient computation of operator‐type response sensitivities for uncertainty quantification and predictive modeling: illustrative application to a spent nuclear fuel dissolver model

This work honors the 75th birthday of Professor Ionel Michael Navon by presenting original results highlighting the computational efficiency of the adjoint sensitivity analysis methodology for function‐valued operator responses by means of an illustrative paradigm dissolver model. The dissolver model analyzed in this work has been selected because of its applicability to material separations and its potential role in diversion activities associated with proliferation and international safeguards. This dissolver model comprises eight active compartments in which the 16 time‐dependent nonlinear differential equations modeling the physical and chemical processes comprise 619 scalar and time‐dependent model parameters, related to the model's equation of state and inflow conditions. The most important response for the dissolver model is the time‐dependent nitric acid in the compartment furthest away from the inlet, where measurements are available at 307 time instances over the transient's duration of 10.5 h. The sensitivities to all model parameters of the acid concentrations at each of these instances in time are computed efficiently by applying the adjoint sensitivity analysis methodology for operator‐valued responses. The uncertainties in the model parameters are propagated using the above‐mentioned sensitivities to compute the uncertainties in the computed responses. A predictive modeling formalism is subsequently used to combine the computational results with the experimental information measured in the compartment furthest from the inlet and then predict optimal values and uncertainties throughout the dissolver. This predictive modeling methodology uses the maximum entropy principle to construct an optimal approximation of the unknown a priori distribution for the a priori known mean values and uncertainties characterizing the model parameters and the computed and experimentally measured model responses. This approximate a priori distribution is subsequently combined using Bayes' theorem with the “likelihood” provided by the multi‐physics computational models. Finally, the posterior distribution is evaluated using the saddle‐point method to obtain analytical expressions for the optimally predicted values for the parameters and responses of both multi‐physics models, along with corresponding reduced uncertainties. This work shows that even though the experimental data pertains solely to the compartment furthest from the inlet (where the data were measured), the predictive modeling procedure used herein actually improves the predictions and reduces the predicted uncertainties for the entire dissolver, including the compartment furthest from the measurements, because this predictive modeling methodology combines and transmits information simultaneously over the entire phase‐space, comprising all time steps and spatial locations. Copyright © 2016 John Wiley & Sons, Ltd.     

Differences in Salivary Proteins as a Function of PROP Taster Status and Gender in Normal Weight and Obese Subjects

Taste plays an important role in processes such as food choices, nutrition status and health. Salivary proteins contribute to taste sensitivity. Taste reduction has been associated with obesity. Gender influences the obesity predisposition and the genetic ability to perceive the bitterness of 6-n-propylthiouracil (PROP), oral marker for food preferences and consumption. We investigated variations in the profile of salivary proteome, analyzed by HPLC-ESI-MS, between sixty-one normal weight subjects (NW) and fifty-seven subjects with obesity (OB), based on gender and PROP sensitivity. Results showed variations of taste-related salivary proteins between NW and OB, which were differently associated with gender and PROP sensitivity. High levels of Ps-1, II-2 and IB-1 proteins belonging to basic proline rich proteins (bPRPs) and PRP-1 protein belonging to acid proline rich proteins (aPRPs) were found in OB males, who showed a lower body mass index (BMI) than OB females. High levels of Ps-1 protein and Cystatin SN (Cyst SN) were found in OB non-tasters, who had lower BMI than OB super-tasters. These new insights on the role of salivary proteins as a factor driving the specific weight gain of OB females and super-tasters, suggest the use of specific proteins as a strategic tool modifying taste responses related to eating behavior.