基于CA和LS-SVM的TE过程多模型建模

针对TE化工过程高度非线性、复杂性的特点,本文提出了一种基于相关分析和最小二乘支持向量机对TE过程进行多模型建模方法,以提高模型性能。首先对TE过程采用相关分析法划分为3个子系统,对每个子系统分别采用基于C-均值聚类的最小二乘支持向量机建模和基于k均值聚类的最小二乘支持向量机多模型建模。实验表明,基于K-均值聚类的多模型建模能简化计算、提高模型精度、并且能更好的预测模型输出。     

基于非对称漂移双gamma跳-扩散过程的创新幂型期权定价模型

针对假设股价的对数收益率布朗运动在期权定价时产生的无法解释股价对数收益率的尖峰厚尾和序列相关性的缺陷,采用了Zhang提出的非对称漂移双gamma跳-扩散过程来描述资产(股价)的对数收益率运动形态(该过程是kou提出的双指数跳-扩散过程的推广),并利用Esscher风险中性变换,研究了幂型期权的定价公式.还设计了两种创新的幂型期权,在非对称漂移双gamma跳-扩散过程下给出了相应的定价公式.     

基于层次分析法的企业网络舆情危机应对评价研究

网络舆情危机应对评价是企业在新的舆论背景下研究危机应对的重点.采用定量和定性分析有机结合的层次分析法确定指标体系及权重,给出了企业网络舆情危机应对评价的步骤,并进行了评价验证.该评价体系为相关单位网络舆情危机应对评价提供一定的参考和指导.     

Fitting formula for the injection volume of a gas chromatograph for radio‐xenon sampling in the lower troposphere

GC is usually used for xenon concentration and radon removal in the International Monitoring System of the Comprehensive Nuclear‐Test‐Ban Treaty. In a gas chromatograph, the injection volume is defined to calculate the column capacity. In this paper, the injection volume was investigated and a fitting formula for the injection volume was derived and discussed subsequently. As a consequence, the xenon injection volume exponentially decreased with the column temperature increased, but exponentially increased as the flow rate increased.     

Optimization of sampling frequency for routine river water quality monitoring

Sampling frequency is an important factor to be considered during the design of a water monitoring network,and the cost-effective selection of possible ways and means for the optimization of sampling frequency is still needed.This paper introduces water pollution index deviation ratio comparison(WPI DRC),a procedure for the optimization of sampling frequency for a routine river water quality monitoring system.Sampling frequency optimized using WPI DRC at monitoring station X5 in the mainstream of Xiangjiang River is compared with that established using the traditional Statistical Algorithm method.The result of comparison indicates that WPI DRC is more feasible than the traditional one.And then,the sampling frequencies for other 16 monitoring stations also have been optimized,and the results show the sampling frequencies of all the stations except that X4 are reduced,and there is no unacceptable difference between water quality evaluation results at 17 stations before and after the optimization.Therefore,it is concluded that WPI DRC is an effective optimization process with operable results,which can be used to fulfill the requirement of practical monitoring work.     

Application of accelerated heteronuclear single quantum coherence experiments to the rapid quantification of monosaccharides and disaccharides in dairy products

Monosaccharides and disaccharides are important dietary components, but if insufficiently metabolized by some population subgroups, they are also linked to disease patterns. Thus, the correct analytical identification, quantification, and labeling of these food components are crucial to inform and potentially protect consumers. Enzymatic assays and high-performance anion-exchange chromatography with pulsed amperometric detection are established methods for the quantification of monosaccharides and disaccharides that, however, require long measuring times (60–180 min). Accelerated methods for the identification and quantification of the nutritionally relevant monosaccharides and disaccharides d -glucose, d -galactose, d -fructose, sucrose, lactose, and maltose were therefore developed. To realize this goal, the NMR experiments HSQC (heteronuclear single quantum coherence) and acceleration by sharing adjacent polarization (ASAP)-HSQC were applied. Measurement times were reduced to 27 and 6 min, respectively, by optimizing the interscan delay and applying non-uniform sampling. The optimized methods were used to quantify d -glucose, d -galactose, d -fructose, sucrose, and lactose in various dairy products. Results of the HSQC and ASAP-HSQC methods are equivalent to the results of the reference methods in terms of both precision and accuracy, demonstrating that these methods can be used to correctly analyze nutritionally relevant monosaccharides and disaccharides in short times.     

Siloxanes in Biogas: Approaches of Sampling Procedure and GC-MS Method Determination

A new approach of siloxane sampling based on impinger, micro-impinger, adsorption on active carbon, and direct TedlarBag methods followed by gas chromatography-mass spectrometry (GC-MS) was developed for the analysis of three linear (L2–L4) and four cyclic (D3–D5) volatile methyl siloxanes (VMSs). Three kinds of organic liquid-medium characterized by different polarities, namely acetone, methanol, and d-decane as siloxanes trap were arranged in the experiment which is widely discussed below. Thus, the GC-MS equipped with SUPELCOWAX-10 capillary column was employed to perform monitoring of VMS content in the analyzed biogas samples originating from landfill, wastewater treatment plants, and agriculture biogas plants. In all samples that have undergone the analysis, cyclic and linear VMSs were found in quantities exceeding 107.9 and 3.8 mg/m³, respectively. Significant differences between siloxanes concentrations depending on biogas origin were observed. Moreover, the high range of linearity (0.1 to 70.06 mg/m³), low LoD (0.01 mg/m³), low LoQ (0.04 mg/m³), and high recovery (244.1%) indicate that the procedure and can be applied in sensitive analyses of silica biogas contaminants. In addition to the above, the impinger method of sampling performed better than active-carbon Tube and TedlarBag, particularly for quantifying low concentrations of siloxanes. Overall, the evaluation of sampling methods for biogas collection simplified the analytical procedure by reducing the procedural steps, avoiding the use of solvents, as well as demonstrated its applicability for the testing of biogas quality.     

Rapid Characterization of Molecular Diffusion by NMR Spectroscopy

An NMR‐based approach for rapid characterization of translational diffusion of molecules has been developed. Unlike the conventional method of acquiring a series of 2D ¹³C and ¹H spectra, the proposed approach involves a single 2D NMR spectrum, which can be acquired in minutes. Using this method, it was possible to detect the presence of intermediate oligomeric species of diphenylalanine in solution during the process of its self‐assembly to form nanotubular structures.     

NMR波谱仪集中优化管理模式

论述了核磁中心采用的相对集中管理模式.集中管理模式主要体现在上样辅助、中央供气、数据集中上传与下载3个方面.另外,还提出了未来可以从集中供高纯N2和LN22个方面进一步改善中心的集中管理模式,从而能够更好的优化测试效率和工作环境.     

Direct Derivation of Free Energies of Membrane Deformation and Other Solvent Density Variations From Enhanced Sampling Molecular Dynamics

We report a methodology to calculate the free energy of a shape transformation in a lipid membrane directly from a molecular dynamics simulation. The bilayer need not be homogeneous or symmetric and can be atomically detailed or coarse grained. The method is based on a collective variable that quantifies the similarity between the membrane and a set of predefined density distributions. Enhanced sampling of this “Multi-Map” variable re-shapes the bilayer and permits the derivation of the corresponding potential of mean force. Calculated energies thus reflect the dynamic interplay of atoms and molecules, rather than postulated effects. Evaluation of deformations of different shape, amplitude, and range demonstrates that the macroscopic bending modulus assumed by the Helfrich–Canham model is increasingly unsuitable below the 100-Å scale. In this range of major biological significance, direct free-energy calculations reveal a much greater plasticity. We also quantify the stiffening effect of cholesterol on bilayers of different composition and compare with experiments. Lastly, we illustrate how this approach facilitates analysis of other solvent reorganization processes, such as hydrophobic hydration. Published 2019. This article is a U.S. Government work and is in the public domain in the USA.