Absolute Minimal Sampling of Homonuclear 2D NMR TOCSY Spectra for High-Throughput Applications of Complex Mixtures

Modern applications of 2D NMR spectroscopy to diagnostic screening, metabolomics, quality control, and other high-throughput applications are often limited by the time-consuming sampling requirements along the indirect time domain t₁. 2D total correlation spectroscopy (TOCSY) provides unique spin connectivity information for the analysis of a large number of compounds in complex mixtures, but standard methods typically require >100 t₁ increments for an accurate spectral reconstruction, rendering these experiments ineffective for high-throughput applications. For a complex metabolite mixture it is demonstrated that absolute minimal sampling (AMS), based on direct fitting of resonance frequencies and amplitudes in the time domain, yields an accurate spectral reconstruction of TOCSY spectra using as few as 16 t₁ points. This permits the rapid collection of homonuclear 2D NMR experiments at high resolution with measurement times that previously were only the realm of 1D experiments.     

Two-Phase Filtration in a Transversally Isotropic Porous Medium: Experiment and Theory

The results of an experimental determination of the relative phase permeabilities during flow of two immiscible fluids in stratified sandstone with transversally isotropic characteristics are presented. The measurements were performed on samples oriented in three directions: along, perpendicular to and at an angle of 45° to the stratification plane. An approximate solution of the problem of steady two-phase flow toward a finite gallery in an anisotropic porous medium for arbitrary relative orientation of the gallery and the principal axes of the absolute permeability tensor is given. This solution was tested against the experimental results. The good agreement between the theoretical and experimental results makes it possible to recommend for engineering calculations both the relations between the absolute and phase permeabilities for transversally isotropic and orthotropic porous media and the approximate solution obtained.     

DYNAMICS ANALYSIS OF STOCHASTIC SPATIAL FLEXIBLE MULTIBODY SYSTEM 1)

轻质、高精度的柔性多体系统被广泛应用于实际工程领域中.由于实际设计公差、制造误差及环境温度等多种不确定因素的存在,使得柔性多体系统的结构参数(物理参数和几何参数)表现出随机性.具有随机结构参数的动力学模型能够客观地反映出真实系统的动力学行为,且结构参数的不确定性对空间柔性多体系统动力学响应的影响是不容忽视的.针对具有多个随机参数的空间柔性多体系统,提出了一种基于广义alpha算法的非侵入式随机柔性多体系统动力学计算方法.采用绝对节点坐标公式(absolute node coordinate formulation, ANCF)来描述柔性体, 推导建立多体系统动力学模型.利用混沌多项式展开(polynomial chaos expansion, PCE)法构建系统随机动力学方程的代理模型,然后将随机响应面法(stochastic response surface method, SRSM)嵌入广义-alpha方法中,分别采用改进抽样的回归方法(regression method of improved sampling, RMIS)和单项求容积法则(Monte Carlo simulation, MCR)来确定样本点.将数值计算结果与蒙特卡洛模拟(Monte Carlo simulation, MCS)结果进行对比, 验证了所提算法的有效性.在相同的定积分精度的条件下,根据单项求容积法则确定的样本点的计算结果稳定性更强, 且其计算效率更高.     

薄膜沿加热平板下落的稳定性分布

本文分析了薄膜沿加热平板下落的稳定性。在时间模式下，发现流动的不稳定性是由表面波不稳定和加毛细不稳定构成的，同时当流体的热扩散越大以及界面热量损失越小时，热毛细不稳定越剧烈，在时空模式下，流动随着Marangoni数的增大。流动有可能从对流不稳定过渡到绝对不稳定，这一结论尚待实验验证。     

圆柱尾流的绝对不稳定性

在水槽和低湍流度水洞中进行亚临界雷诺数圆柱尾流稳定性实验来流速度由零缓慢增长到一定值后保持不变,稳定足够长时间后,在流向某站位处给流场一个有限幅值的脉冲扰动,测量扰动前后相当长时间内下游尾流速度信号的变化情况当雷诺数处于高亚临界值时,未受扰动的尾流速度脉动很小,处于定常状态,但对近尾流进行脉冲扰动后,能够激发出不衰减的旋涡脱落发现扰动位置限制在圆柱后一定范围内才能有效,再往下游则扰动随时间衰减．说明圆柱近尾流中存在一个绝对不稳定区,在该区域内的扰动将在当地放大,经过复杂的演化,最后形成不衰减的旋涡脱落.     

聚丙烯腈基碳纤维原丝在纺丝过程中纳米孔变化规律与机理研究

应用小角X射线散射等方法, 系统、定量地测试表征了聚丙烯腈基碳纤维原丝中纳米孔的尺寸、形状、体积分数、单位体积中纳米孔绝对数量以及纤维总孔洞率等形态结构参量, 并对这些参量在水洗、水洗牵伸、热致密化、高压蒸汽牵伸及热稳定化等工艺过程中的变化规律及原因进行了研究. 结果表明, 纺丝过程中牵伸及高温热处理均可使纤维总孔洞率逐步下降. 纳米孔尺寸体积分数V_i测试表明, 对于小于10 nm³的小纳米孔和大于10³ nm³的较大纳米孔, 两者的V_i在纺丝初期水洗牵伸工艺中分别为0.217和0.369, 而在纺丝后期热稳定化处理后发生大幅度改变, 分别为0.948 与0.015. 其原因并不是在高压蒸汽牵伸及热稳定处理中较小纳米孔含量的增加, 而是较大纳米孔含量的大幅度减少. 纳米孔形状研究表明, 纺丝工艺中的多次牵伸处理均使纳米孔的长短轴比加大, 而大于玻璃化温度的热处理均使纳米孔长短轴比收缩, 并且对于较小纳米孔来说这种收缩更为显著.     

Stochastic comparison of aggregate claim amounts between two heterogeneous portfolios and its applications

The aggregate claim amount in a particular time period is a quantity of fundamental importance for proper management of an insurance company and also for pricing of insurance coverages. In this paper, we show that the proportional hazard rates (PHR) model, which includes some well-known distributions such as exponential, Weibull and Pareto distributions, can be used as the aggregate claim amount distribution. We also present some conditions for the use of exponentiated Weibull distribution as the claim amount distribution. The results established here complete and extend the well-known result of Khaledi and Ahmadi (2008).     

Automated flow-based anion-exchange method for high-throughput isolation and real-time monitoring of RuBisCO in plant extracts

In this work, a miniaturized, completely enclosed multisyringe-flow system is proposed for high-throughput purification of RuBisCO from Triticum aestivum extracts. The automated method capitalizes on the uptake of the target protein at 4 °C onto Q-Sepharose Fast Flow strong anion-exchanger packed in a cylindrical microcolumn (105 × 4 mm) followed by a stepwise ionic-strength gradient elution (0-0.8 mol/L NaCl) to eliminate concomitant extract components and retrieve highly purified RuBisCO. The manifold is furnished downstream with a flow-through diode-array UV/vis spectrophotometer for real-time monitoring of the column effluent at the protein-specific wavelength of 280 nm to detect the elution of RuBisCO. Quantitation of RuBisCO and total soluble proteins in the eluate fractions were undertaken using polyacrylamide gel electrophoresis (PAGE) and the spectrophotometric Bradford assay, respectively. A comprehensive investigation of the effect of distinct concentration gradients on the isolation of RuBisCO and experimental conditions (namely, type of resin, column dimensions and mobile-phase flow rate) upon column capacity and analyte breakthrough was effected. The assembled set-up was aimed to critically ascertain the efficiency of preliminary batchwise pre-treatments of crude plant extracts (viz., polyethylenglycol (PEG) precipitation, ammonium sulphate precipitation and sucrose gradient centrifugation) in terms of RuBisCO purification and absolute recovery prior to automated anion-exchange column separation. Under the optimum physical and chemical conditions, the flow-through column system is able to admit crude plant extracts and gives rise to RuBisCO purification yields better than 75%, which might be increased up to 96 ± 9% with a prior PEG fractionation followed by sucrose gradient step.     

A NOTE ON GENERALIZED ABSOLUTE SUMMABILITY FACTORS FOR A TRIANGULAR MATRIX

In this paper, a general theorem on | A, δ |k -summability factors of infinite series is proved under different conditions.     

曲线拟合的广义最小一乘法

介绍了最小一乘法的方程式解法;讨论了这种方程式解法与最小一乘逼近之间的关系;说明了它不仅适用于线性函数类也适用于非线性函数类的最佳逼近的实现;提出了零偏差点附近数据变化的两个重要特征;建立了一种具有"人为"因素的广义最小一乘法;并给出了该法在预测方面的几个应用实例.