钢球质量监测最佳抽检方案的确定

本文介绍概率抽样法在钢球生产过程中的应用,通过此法确定钢球生产中各工序质量监测的最佳抽检方案,以确保产品被接受的概率最大。     

Determination of styrene in olive oil by an automatic purge-and-trap system coupled to gas chromatography-mass spectrometry

Summary A new gas chromatographic method using an automatic purge-and-trap system coupled to a GC with mass selective detection to analyze styrene at the parts-per-trillions (ng kg^–1) level is described. The method shows a good sensitivity and the detection limit is 10 ng kg^–1 with a relative standard deviation (RSD) of 4.7% for 164 ng kg^–1 styrene in olive oil. This analytical method has been successfully applied to the analysis of styrene in extra-virgin olive oil from the European market.     

Short-range order and F ion diffusion inside the Pb1 − xAlxF2 + x solid solution Part II: Al NMR investigation and proposal of clustering process

A ²⁷Al nuclear magnetic resonance (NMR) investigation at room temperature of the Pb_{1 − x}Al_xF_{2 + x} (0 ≤ x ≤ 0.12) solid solution and of the ordered Pb₉Al₂F₂₄ phase is carried out. Two different types of aluminium ions are identified and their ratio is determined as a function of x. A clustering process based on the formation of column clusters, more and more extended when x increases, is proposed on the basis of results issued from the ¹⁹F (Part I) and ²⁷Al NMR investigations.     

GS-221高速摄影测量仪测角信息的采集与处理

在GS-221高速摄影测量仪中,测角信息采集与处理速度的快慢是重要性能指标之一。本文讨论了如何在尽可能短的时间内对测角信息进行采集和处理的软件实现方法。     

反光板(合作目标)反射率测量仪

本文介绍了反光板（合作目标）反射率测量仪的研制。仪器采用对称双光路比较测量法，给定两束相等光通量的光束，分别作为参考光束和测试光束，并用分束器实现原光路取样，从而解决了合作目标反光板入射光线与反射光线重合不能用常规测试方法来检测的难题。由于采用对称双光路的方法，入射光通量是相对恒定的，不受外界因素影响，从而使反射率测量仪达到精度高、重复性好和环境要求低的设计要求。     

Random tunneling by means of acceptance-rejection sampling for global optimization

Any global minimization algorithm is made by several local searches performed sequentially. In the classical multistart algorithm, the starting point for each new local search is selected at random uniformly in the region of interest. In the tunneling algorithm, such a starting point is required to have the same function value obtained by the last local minimization. We introduce the class of acceptance-rejection based algorithms in order to investigate intermediate procedures. A particular instance is to choose at random the new point approximately according to a Boltzmann distribution, whose temperatureT is updated during the algorithm. AsT 0, such distribution peaks around the global minima of the cost function, producing a kind of random tunneling effect. The motivation for such an approach comes from recent works on the simulated annealing approach in global optimization. The resulting algorithm has been tested on several examples proposed in the literature.     

Feasibility of using solid sampling graphite furnace atomic absorption spectrometry for speciation analysis of volatile and non-volatile compounds of nickel and vanadium in crude oil

A method for the direct determination of volatile and non-volatile nickel and vanadium compounds in crude oil without previous treatment using direct solid sampling graphite furnace atomic absorption spectrometry is proposed. The crude oil samples were weighed directly onto solid sampling platforms using a microbalance and introduced into a transversely heated solid sampling graphite tube. In previous work of our group losses of volatile nickel and vanadium compounds have been detected, whereas other nickel and vanadium compounds were thermally stable up to 1300 and 1600 °C, respectively. In order to avoid this problem different chemical modifiers (conventional and permanent) have been investigated. With 400 μg of iridium as permanent modifier, the signal started to drop already after two atomization cycles, possibly because of an interaction of nickel (which is a catalyst poison) with iridium. Twenty micrograms of palladium applied in each determination was found to be optimum for both elements. The palladium was deposited on the platform and submitted to a drying step at 150 °C for 75 s. After that the sample was added onto the platform and submitted to the furnace program. The influence of sample mass on the linearity of the response and on potential measurement errors was also investigated using four samples with different nickel content. For the sample with the lowest nickel concentration the relationship between mass and integrated absorbance was found to be non-linear when a high sample mass was introduced. It was suspected that the modifier had not covered the entire platform surface, which resulted in analyte losses. This problem could be avoided by using 40 μL of 0.5 g L⁻¹ Pd with 0.05% Triton X-100. Calibration curves were established with and without modifier, with aqueous standards, oil-in-water emulsions and the certified reference material NIST SRM 1634c (trace metals in residual fuel oil). The sensitivity for aqueous standards and emulsions was close to that for SRM 1634c, making possible the use of aqueous standards for calibration. The limits of detection and quantification obtained for nickel and vanadium under this condition were found to be 0.02 and 0.06 μg g⁻¹, respectively, for both elements, based on 10 mg of sample. Nickel and vanadium were determined in the samples with (total Ni and V) and without the use of Pd (thermally stable compounds), and the concentration of volatile compounds was calculated by difference. The results were compared with those obtained by high-resolution continuum source graphite furnace atomic absorption spectrometry by emulsion technique; no significant differences were found for total Ni and V at the 95% confidence level according to a Student's t-test.     

Sampling and local models for multivariate image analysis

Local models are a very important concept for microscopic and macroscopic imaging. Different methods of sub-sampling a multivariate image are described both in general and for three examples. The need for sub-sampling and its influence on multivariate image analysis and visualization are studied. Examples from MRI (256 × 256), satellite imaging (7 × 512 × 512) and biofuel studies (6 × 512 × 512) are used to illustrate some of the principles involved.     

Binding Ensembles of p53-MDM2 Peptide Inhibitors by Combining Bayesian Inference and Atomistic Simulations

Designing peptide inhibitors of the p53-MDM2 interaction against cancer is of wide interest. Computational modeling and virtual screening are a well established step in the rational design of small molecules. But they face challenges for binding flexible peptide molecules that fold upon binding. We look at the ability of five different peptides, three of which are intrinsically disordered, to bind to MDM2 with a new Bayesian inference approach (MELD × MD). The method is able to capture the folding upon binding mechanism and differentiate binding preferences between the five peptides. Processing the ensembles with statistical mechanics tools depicts the most likely bound conformations and hints at differences in the binding mechanism. Finally, the study shows the importance of capturing two driving forces to binding in this system: the ability of peptides to adopt bound conformations (ΔGconformation) and the interaction between interface residues (ΔGinteraction).