Advances in Microwave-Assisted Combinatorial Chemistry Without Polymer-Supported Reagents

Summary Combinatorial methodologies have dramatically changed the chemical research and discovery process, offering an unlimited source of new molecule entities to be screened for activity. The application of microwave irradiation in Combinatorial Chemistry and high-throughput synthesis has become increasingly popular. By taking advantage of this energy source, compound libraries for lead generation can be assembled in a fraction of time required by conventional thermal heating. This review focuses on the advances in developing synthetic methodologies in microwave without polymer-supported reagents suitable for combinatorial chemistry, including the advances in microwave-assisted fluorous synthesis technology.     

A modern Bayesian look at the multi‐armed bandit

A multi‐armed bandit is an experiment with the goal of accumulating rewards from a payoff distribution with unknown parameters that are to be learned sequentially. This article describes a heuristic for managing multi‐armed bandits called randomized probability matching, which randomly allocates observations to arms according the Bayesian posterior probability that each arm is optimal. Advances in Bayesian computation have made randomized probability matching easy to apply to virtually any payoff distribution. This flexibility frees the experimenter to work with payoff distributions that correspond to certain classical experimental designs that have the potential to outperform methods that are ‘optimal’ in simpler contexts. I summarize the relationships between randomized probability matching and several related heuristics that have been used in the reinforcement learning literature. Copyright © 2010 John Wiley & Sons, Ltd.     

基于贝叶斯序贯方法的微波效应实验设计

提出了一种基于贝叶斯验后概率的序贯检验方法,建立了检验的判别准则,给出了判别准则临界值的计算方法。在给定截尾实验次数的条件下,提出了一种截尾方案,建立了截尾判断方法。将其用于解决验证效应物在微波作用下失效概率达到给定水平的微波效应实验设计问题,给出了相应的实验方案和所需样本量的估计。最后,通过实例对上述方法的应用过程进行了说明,并和现有方法进行了分析比较。     

Synthesis of α-In 2 Te 3 thin films from In/Te bilayer by Si ion irradiation

In this work, In/Te bilayer thin films were prepared using sequential thermal evaporation method and subsequently irradiated using swift heavy ions (SHIs) of 100 MeV silicon (Si) with different fluences (1×10¹³ to 5×10¹³/cm²). The inter-diffusion of In and Te layers was highly controlled by SHI irradiation and the In₂Te₃ formation capability was compared with that of the conventional annealing method. The structural as well as optical properties of a post-sintered SHI-irradiated In/Te bilayer were investigated using X-ray diffraction (XRD) measurements and UV–visible spectroscopy, respectively. We found that irradiated samples showed single-phase In₂Te₃ under post-annealed conditions at 150 °C unlike that prepared using the conventional thermal annealing method, which showed mixed phases under similar conditions. This confirms the effective inter-diffusion in bilayer films by SHI irradiation toward the formation of single-phase In₂Te₃. The estimated optical band gap energy was found to be 1.1±0.5 eV and strongly corroborated the XRD results. In addition, the estimated refractive index (n) value of the SHI-irradiated sample (～3.3) was higher than that of the sample obtained through the conventional annealing method (～2.8). This proves that SHI offers a highly compact nature even at low temperatures. This work has a wide scope for achieving single-phase alloyed films through bilayer mixing by SHI irradiation.     

空间望远镜分块式主镜共相位调整的优化算法研究

以应用主动控制系统进行分块镜共相位调整的大口径空间望远镜为研究对象,分析了分块式主镜致动器位移与相位误差之间的对应关系以及共相位调整的目标。研究采用一种求解非线性约束问题的序列二次规划法优化求解主镜致动器的位移控制指令,校正分块式主镜相位误差。数学仿真结果表明,应用序列二次规划法对分块式主镜进行共相位调整优化,控制精度得到了很大地提高。     

估计感度分布中位数的两阶段优化序贯试验设计方法研究

感度试验在爆炸科学领域有非常广泛的应用,其中位数是含能材料的一个关键性能指标.高效估计感度分布中位数是实际工程应用中的重要问题.文章提出一种两阶段的优化序贯试验设计方法来估计感度分布的中位数,并将正交设计与两阶段优化序贯试验设计方法相结合给出了筛选影响含能材料安定性重要因子的试验设计方法.广泛的模拟比较验证了所提方法在小样本情况下可以获得感度分布中位数的准确估计,并且对模型假设和初始参数猜测具有一定的稳健性.当因子效应不是太小的时候,因子筛选方法可以准确地筛选出有显著影响的因子.     

可用于连续识别Cu^2+和阴离子、中性分子荧光探针的研究进展

铜(Cu)含量的高低直接影响着生命体的正常运转和自然体系的平衡.检测铜离子的方法多种多样,其中具有较高敏感度和选择性的荧光化学传感器应用更加广泛.综述了以Cu^2+为基的荧光化学传感器通过"替换"法实现了对阴离子S^2-, CN^-, H2PO4^-, PPi和I^-以及中性分子ATP、ADP和生物硫醇等的连续识别的研究进展.     

Novel Simultaneous Determination of Calcium and Magnesium Based on Flow Injection Gradient Titration

A novel approach based on flow injection gradient titration is proposed for the simultaneous spectrophotometric determination of Ca and Mg based on parameters of a single signal. Two reagents, calmagite and EDTA, are used to perform the determinations. Calmagite is introduced into a sample to form complexes with the analytes and the solutions are introduced into the holding coil of a sequential injection system in the sequence: carrier, air, sample, EDTA, and sample. In the system, EDTA replaces calmagite to form more stable complexes in turn with Ca and Mg. Next, the flow is reversed and the mixture is directed to the detector where the signal is measured at 680?nm. The signal consists of two parts: a short plateau (the signal for the sum of absorbance of complexes of Ca and Mg with calmagite) and a peak (the signal corresponding to titration of both complexes using EDTA). The absorbance values measured at the plateau and appropriately measured peak width were applied to determine analytes using two-component calibration. The method was verified for the determination of analytes in synthetic samples and in a certified reference material of surface water. Using the developed method, Mg and Ca were determined within the concentration ranges of 0.5–5.0 and 1.0–10.0?mg?L^?1, with precision better than 2.2 and 4.2% (relative standard deviation) and accuracy of 7.0 and 6.8% (relative error). The detection limits were 0.1 and 0.3?mg?L^?1 for Mg and Ca, respectively. The method was applied to analysis of mineral water samples.