一类具有连续变量的二阶非线性阻尼差分方程的振动准则

考虑了一类具有连续变量的二阶非线性阻尼差分方程,利用积分变换和广义R iccati变换,给出了此类方程的振动准则.     

发夹型荧光分子探针用于DNA甲基化酶的活性分析及其在药物筛选中的应用

报道了一种基于发夹型荧光探针的甲基化酶活性的分析方法, 甲基化酶和相应的限制性内切酶的识别位点被设计在发夹型探针的茎部, 四甲基罗丹明(TAMRA)被连接在探针的5'端, 其荧光被连在3'端的熄灭基团4-(4'-二甲基对胺基偶氮苯)苯甲酸(DABCYL)所熄灭. 限制性内切酶可切割未发生甲基化修饰的探针, 导致探针的发夹结构遭到破坏, 引起TAMRA荧光信号的恢复. 根据荧光信号的恢复程度可实现对甲基化酶活性的分析. 在此基础上, 建立了一种简便、快速分析抗肿瘤药物对DNA甲基化酶活性的影响的方法, 为筛选针对基因甲基化异常引起的恶性肿瘤的治疗药物提供了一种新的思路和方法.     

电拓扑状态预测有机磷酸酯类化合物的气相色谱保留指数

以原子类型电拓扑状态指数(ETSI)有效表征35个有机磷酸酯类化合物(OP)的分子结构, 应用基于预测的变量选择与模型化(VSMP)方法建立OP化合物在3种不同固定相上的气相色谱保留指数(RI)与分子结构(ETSI)的定量相关模型. 结果表明, 影响不同固定相上OP色谱保留的主要结构因素都是由7个ETSI描述子对应的子结构碎片, 即: ＝CH₂,≡C—, aaC—, ＝O, —O—, Cl和Br. 其中子结构aaC—, ＝O和—O与OP化合物母体骨架密切相关, 而＝CH₂,≡C—, —Cl和—Br反映支链或取代基的变化. 通过多元线性回归法建立OP化合物在三个固定相上的定量结构-保留相关模型(QSRR)发现, 各QSAR模型的估计相关系数均在0.99以上, LOO检验相关系数在0.98以上, 表明模型具有良好估计能力与稳定性. 应用28个OP训练集样本构建的QSRR模型预测外部7个检验集RI结果表明训练集模型具有良好预测能力.     

能量选择中子成像技术及其应用

能量选择中子成像技术是利用特定范围波长(能量)的中子进行成像。在热/冷中子范围内(<25meV),能量选择中子成像技术主要基于布拉格边效应和衍射机制,相比常规中子成像技术不但可以显著提高图像对比度,而且能分析应变、应力、织构。在超热中子范围内(>1eV),能量选择中子成像技术主要基于中子共振吸收,中子截面随能量变化是同位素特有的,存在明显的共振吸收峰,因此可以进行同位素的“指纹”识别。能量选择中子成像技术在工程、材料、化学、物理、生物、考古等众多科研领域中有着非常广阔的应用前景。     

遵循OBE理念的制药工程专业认识实习教学设计与实施*

依据工程教育专业认证OBE理念,阐述了制药工程专业毕业生的能力要求,认识实习学习成果定位、教学内容设计、教学实施策略、学习成果数据处理与评价、教学质量持续改进等,对于当前认识实习课程教学中所存在的问题与不足,提升认识实习课程教学质量,促进专业认证以及制药工程专业课程建设具有指导与借鉴意义。     

Self-sustained oscillations within the temperature hysteresis in CO oxidation over Pd: Mathematical model of a cascade of continuous stirred-tank reactors

The results of temperature-programmed reaction experimental studies and mathematical modeling of self-sustained oscillations within an inverse temperature hysteresis in CO oxidation over Pd catalyst are presented. The experimental data demonstrate the influence of the reaction medium on the catalyst activity under reaction conditions. Under oxygen excess in the feeding gas mixture and high temperature, the defects appeared on the initially flat surface of metallic palladium due to deep oxidation of palladium (three-dimensional PdO nanoparticles were observed). The palladium oxide reduced under cooling of the catalytic system, and the catalyst surface became flat again. To take into account these variations of the palladium surface structure, we consider the piecewise-constant dependence of the rate constant of some reaction step on the concentrations of oxygen species, namely, the dissolved oxygen or oxide in the palladium bulk. The proposed model of the process in the cascade of continuous stirred-tank reactors that account for these dependences qualitatively describes the inverse temperature hysteresis as well as the oscillatory dynamics within the hysteresis loop which were obtained experimentally.     

Simultaneous Credible Regions for Multiple Changepoint Locations

Within a Bayesian retrospective framework, we present a way of examining the distribution of changepoints through a novel set estimator. For a given level, α, we aim at smallest sets that cover all changepoints with a probability of at least 1 ? α. These so-called smallest simultaneous credible regions, computed for certain values of α, provide parsimonious representations of the possible changepoint locations. In addition, combining them for a range of different α’s enables very informative yet condensed visualizations. Therewith we allow for the evaluation of model choices and the analysis of changepoint data to an unprecedented degree. This approach exhibits superior sensitivity, specificity, and interpretability in comparison with highest density regions, marginal inclusion probabilities, and confidence intervals inferred by stepR. While their direct construction is usually intractable, asymptotically correct solutions can be derived from posterior samples. This leads to a novel NP-complete problem. Through reformulations into an Integer Linear Program we show empirically that a fast greedy heuristic computes virtually exact solutions. Supplementary material for this article is available online.     

N-Methylated Peptide Synthesis via Generation of an Acyl N-Methylimidazolium Cation Accelerated by a Brønsted Acid

The development of a robust amide-bond formation remains a critical aspect of N-methylated peptide synthesis. In this study, we synthesized a variety of dipeptides in high yields, without severe racemization, from equivalent amounts of amino acids. Highly reactive N-methylimidazolium cation species were generated in situ to accelerate the amidation. The key to success was the addition of a strong Brønsted acid. The developed amidation enabled the synthesis of a bulky peptide with a higher yield in a shorter amount of time compared with the results of conventional amidation. In addition, the amidation can be performed by using either a microflow reactor or a conventional flask. The first total synthesis of naturally occurring bulky N-methylated peptides, pterulamides I–IV, was achieved. Based on experimental results and theoretical calculations, we speculated that a Brønsted acid would accelerate the rate-limiting generation of acyl imidazolium cations from mixed carbonic anhydrides.     

基于自归一化神经网络的脉冲星候选体选择

脉冲星候选体选择是脉冲星搜寻任务中的重要步骤.为了提高脉冲星候选体选择的准确率,提出了一种基于自归一化神经网络的候选体选择方法.该方法采用自归一化神经网络、遗传算法、合成少数类过采样这三种技术提升对脉冲星候选体的筛选能力.利用自归一化神经网络的自归一化性质克服了深层神经网络训练中梯度消失和爆炸的问题,大大加快了训练速度.为了消除样本数据的冗余性,利用遗传算法对脉冲星候选体的样本特征进行选择,得到了最优特征子集.针对数据中真实脉冲星样本数极少带来的严重类不平衡性,采用合成少数类过采样技术生成脉冲星候选体样本,降低了类不平衡率.以分类精度为评价指标,在3个脉冲星候选体数据集上的实验结果表明,本文提出的方法能有效提升脉冲星候选体选择的性能.     

EBCMOS相机盲元检测方法的研究

电子轰击型（electron bombarded，EB）CMOS传感器工艺缺陷导致图像出现盲元，对图像质量影响较大。提出了一种基于多幅图像交叉计算的盲元检测新算法。对不同平均亮度的无目标图像，通过设置不同阈值，对图像进行二值化处理；再对多幅二值化图像按“亮点”位置进行交叉“相与”计算，生成盲元标记模板图，最后按盲元位置进行分类和取舍，得到最终盲元标记模板。最终盲元标记模板信息，为评价EBCMOS传感器品质和实际后续产品中盲元补偿提供可靠依据。