差分拉曼光谱结合聚类分析检验电线塑料外皮研究

为建立一种高效准确的差分拉曼光谱检验电线塑料外皮的方法,利用便携式差分拉曼光谱仪测得了35个不同品牌不同类型的电线塑料外皮的差分拉曼光谱数据;再根据样品的主要成分和所含填料的不同,对样品进行初步分类;利用主成分分析对初步分类后的拉曼数据进行降维,再利用系统聚类将样品分组,最后应用K-均值聚类分析对分组结果准确性进行检验...     

A Single Molecular Beacon Probe Is Sufficient for the Analysis of Multiple Nucleic Acid Sequences

Molecular beacon (MB) probes are dual‐labeled hairpin‐shaped oligodeoxyribonucleotides that are extensively used for real‐time detection of specific RNA/DNA analytes. In the MB probe, the loop fragment is complementary to the analyte: therefore, a unique probe is required for the analysis of each new analyte sequence. The conjugation of an oligonucleotide with two dyes and subsequent purification procedures add to the cost of MB probes, thus reducing their application in multiplex formats. Here we demonstrate how one MB probe can be used for the analysis of an arbitrary nucleic acid. The approach takes advantage of two oligonucleotide adaptor strands, each of which contains a fragment complementary to the analyte and a fragment complementary to an MB probe. The presence of the analyte leads to association of MB probe and the two DNA strands in quadripartite complex. The MB probe fluorescently reports the formation of this complex. In this design, the MB does not bind the analyte directly; therefore, the MB sequence is independent of the analyte. In this study one universal MB probe was used to genotype three human polymorphic sites. This approach promises to reduce the cost of multiplex real‐time assays and improve the accuracy of single‐nucleotide polymorphism genotyping.     

一种基于可预测元分析的故障诊断方法

将可预测元分析(Fore CA)引入到过程监控中,通过选取合适的可预测元并构造能够反映系统运行状况的统计量对在线数据进行统计监控,克服了主元分析(PCA)方法假设数据服从高斯分布且无法反映系统动态时序特性的缺陷,能很好地描述工业过程的动态特性并进行故障检测。TE模型上的仿真结果证明了Fore CA在工业过程监控中的可行性与有效性。     

Fluorescent Nucleoside Analogs: Probes for Investigating Nucleic Acid Structure and Function

Base-modified fluorescent nucleoside analog probes have been very valuable in the study of nucleic acid structure and function. Many of them structurally resemble natural bases, and also display useful properties, such as large Stokes shifts and sensitivity to microenvironment changes. Therefore, unlike traditional fluorescence probes, which mostly report global changes, nucleoside analogs, when incorporated into oligonucleotides, can photophysically report changes that occur around the site of interest, at the nucleotide level. In this review, we provide an overview of various strategies that have been employed to design base-modified fluorescent nucleoside analogs. Then we review recent developments and applications of new generation fluorescent nucleoside analogs with a particular focus on the synthesis, photophysical characterizations and applications of heterobicycle-conjugated pyrimidine nucleoside analogs that have been developed by our group. These analogs, which have a minimal effect on the structures of the oligonucleotides into which they are incorporated, show emission in the visible region and excellent fluorescence solvatochromism. Notably, unlike the majority of fluorescent nucleoside analogs developed so far, these analogs retain their fluorescence efficiency when incorporated into oligonucleotides. We anticipate that these nucleoside analogs, with such photophysical properties, would be useful in designing robust biophysical assays to study nucleic acids.     

定量分析法测定核酸的技术进展

介绍核酸的定量分析方法，包括化学发光法、光度分析法、荧光分析法、共振光散射分析法及电化学分析法等方法，评述各方法的特点及研究进展情况。     

A Quencher-Free Linear Probe from Serinol Nucleic Acid with a Fluorescent Uracil Analogue

With the goal of developing a quencher-free probe composed of an artificial nucleic acid, the fluorescent nucleobase analogue 5-(perylenylethynyl)uracil (^PeU), which was incorporated into totally artificial serinol nucleic acid (SNA) as a substitute for thymine, has been synthesized. In the context of a 12-mer duplex with RNA, these fluorophores reduce duplex stability slightly compared with that of an SNA without ^PeU modification; thus suggesting that structural distortion is not induced by the modification. If two ^PeUs were incorporated at separate positions in an SNA, the fluorescent emission at λ≈490 nm was clearly enhanced upon hybridization with complementary RNA. A quencher-free SNA linear probe containing three ^PeUs, each separated by six nucleobases, has been designed. Detection of target RNA with high sensitivity and discrimination of a single-base mismatch has also been demonstrated.     

差热分析在测定松香软化点、酸值研究上的应用

用实际例子论述了差热分析 (DTA)在测定松香软化点、酸值研究上的应用     

基于部分DPCA的动态系统故障隔离

Principal component analysis （PCA） is a useful tool in process fault detection, but offers little support on fault isolation. In this article, structured residual with strong isolation property is introduced. Although it is easy to get the residual by transformation matrix in static process, unfortunately, it becomes hard in dynamic process under control loop. Therefore, partial dynamic PCA（PDPCA） is proposed to obtain structured residual and enhance the isolation ability of dynamic process monitoring, and a compound statistic is introduced to resolve the problem resulting from independent variables in every variable subset. Simulations on continuous stirred tank reactor （CSTR） show the effectiveness of the proposed method.     

人工神经网络法预测有机物基础物性

用神经网络法预测有机物的物性,提出用主成分分析和回归分析的方法,求得输入参数,对有机物的正常沸点、临界温度、临界压力、临界体积、汽化焓、偏心因子等基础物性作了定量预测,估算精度可满足化工计算的要求。     

间歇生产过程鲁棒统计监控及其应用

In order to reduce the variations of the product quality in batch processes, multivariate statistical process control methods according to multi-way principal component analysis (MPCA) or multi-way projection to latent structure (MPLS) were proposed for on-line batch process monitoring. However, they are based on the decomposition of relative covariance matrix and strongly affected by outlying observations. In this paper, in view of an efficient projection pursuit algorithm, a robust statistical batch process monitoring (RSBPM) framework, which is resistant to outliers, is proposed to reduce the high demand for modeling data. The construction of robust normal operating condition model and robust control limits are discussed in detail. It is evaluated on monitoring an industrial streptomycin fermentation process and compared with the conventional MPCA. The results show that the RSBPM framework is resistant to possible outliers and the robustness is confirmed.     

主成分分析法在卷烟质量评价中的应用

文章以SPSS软件为工具,运用主成分分析法对15个牌号的卷烟质量进行了评价。结果表明：（1）按累积贡献率≥85%的标准,筛选出化学成分因子、感官质量因子、烟气成分因子共3个主成分,其对变异的累积贡献率达94.37%。（2）不同牌号卷烟的综合评价得分差异明显,其中A,B,C三个牌号的卷烟质量高于其他牌号的卷烟,而M,N,O三个牌号的卷烟质量得分则低于其他牌号的卷烟质量得分。     

A Robust Statistical Batch Process Monitoring Framework and Its Application

In order to reduce the variations of the product quality in batch processes, multivariate statistical process control methods according to multi-way principal component analysis (MPCA) or multi-way projection to latent structure (MPLS) were proposed for on-line batch process monitoring. However, they are based on the decomposition of relative covariance matrix and strongly affected by outlying observations. In this paper, in view of an efficient projection pursuit algorithm, a robust statistical batch process monitoring (RSBPM) framework, which is resistant to outliers, is proposed to reduce the high demand for modeling data. The construction of robust normal operating condition model and robust control limits are discussed in detail. It is evaluated on monitoring an industrial streptomycin fermentation process and compared with the conventional MPCA. The results show that the RSBPM framework is resistant to possible outliers and the robustness is confirmed.     

改性多孔氧化硅材料的差热性能分析

采用溶胶凝胶+超临界干燥法制备了纳米氧化硅气凝胶块体,用KH550和氟硅烷对其进行了表面改性,利用DTA分析了两种改性剂对多孔氧化硅的接枝特性.结果表明,KH550与氟硅烷相比,可与气凝胶表面接枝反应良好,降低表面羟基含量以及对空气中水分的吸附,从而在超临界干燥之后形成结构强度最高的块体.     

基于多尺度分析与主元分析的聚丙烯熔融指数神经元软测量预报模型

Prediction of melt index （MI）, the most important parameter in determining the product＇s grade and quality control of polypropylene produced in practical industrial processes, is studied. A novel soft-sensor model with principal component analysis （PCA）, radial basis function （RBF） networks, and multi-scale analysis （MSA） is proposed to infer the MI of manufactured products from real process variables, where PCA is carried out to select the most relevant process features and to eliminate the correlations of the input variables, MSA is introduced to a~quire much more information and to reduce the uncertainty of the system, and RBF networks are used to characterize the nonlinearity of the process. The research results show that the proposed method provides promising prediction reliability and accuracy, and supposed to have extensive application prospects in propylene polymerization processes.     

C3 Halogen and C8′′ Substituents on Stilbene Arotinoids Modulate Retinoic Acid Receptor Subtype Function

The synthesis and biological evaluation of the entire series of C3‐halogenated derivatives and bulkier substituents at the C8′′ position of the parent stilbene‐based RARβ‐selective agonist BMS641 4 c was undertaken. The synthesis uses an E‐selective Horner–Wadsworth–Emmons (HWE) condensation of C8‐substituted C5‐dimethyl dihydronaphthaldehyde and the benzylic phosphonates derived from the C3‐halogenated benzoates to construct the stilbene skeleton. Transactivation studies revealed the synergistic effect of small halogen atoms at C3 (F, Cl) and the moderately bulky phenyl group at C8′′ (in 4 b and 4 c ) to achieve RARβ selectivity. Our results, supported by computational studies, provide a structural rationale for the mixed agonist–antagonist activities of these arotinoids, which are potent agonists of the RARβ subtype and antagonists of the RARα paralogue. Moreover, transitions from partial agonists to inverse agonists and antagonists can be accomplished with the incorporation of the same halogen atoms into the structures of known modulators BMS701 ( 5 a ) and BMS493 ( 6 a ), which have bulkier substituents than phenyl (p‐tolyl and phenylethynyl, respectively) at C8′′. Conversely, incorporation of halogen atoms in 6 a converted the ligand from an RARβ inverse agonist ( 6 b ) to an antagonist ( 6 c ) or an agonist ( 6 d ). Amazingly, 6 a – c commonly acted as inverse agonists for RARα, while 6 d and 6 e acted as regular RARα antagonists, not affecting co‐repressor interaction. In the case of the mixed agonist/antagonist 5 a , C3‐halogenation yields inverse RARα and RARβ agonists ( 5 b – d ) with the exception of iodinated 5 e , which is a regular antagonist for both these receptors. Because RARβ gene expression is frequently deleted or epigenetically silenced in several tumor cells, the novel repertoire of receptor and function‐selective RAR agonists, mixed agonist/antagonists, regular antagonists, and inverse agonists will be useful in the elucidation of the mechanism of tumor suppression by retinoids.     

基于光谱图像分析的镀液中铁离子检测方法研究

以精确检测出镀液中的铁离子为目标,提出一种基于光谱图像分析的镀液中铁离子的检测方法。依据铁离子在镀液中呈现出的独特影像特征,建立铁离子光谱向量的线性观测模型,计算待检测镀液中铁离子光谱图像局部奇异度,并融合主成分分析算法建立光谱图像正交投影空间,结合光谱角度匹配技术实现对镀液中铁离子的精确检测。试验结果表明:基于光谱分析的镀液中铁离子的检测方法可行且有效,检测效果优于常用检测方法的,检测精度高且误差率低。     

五种抗HIV活性菊科中草药微量元素主成分分析

对具有抗HIV活性的菊科中草药艾叶、紫茎泽兰、臭灵丹、叶下花、辣子草进行微量元素含量测定、含量问相关性分析和主成分分析,找出微量元素主成分的影响。再根据主成分值和综合评价值进行二维聚类,发现微量元素含量与抗HIV活性呈一定正相关。为药用菊科资源的开发与利用提供了理论依据。     

Nonlinear multiscale modelling for fault detection and identification

In order to detect abnormal events at different scales, a number of multiscale multivariate statistical process control (MSPC) approaches which combine a multivariate linear projection model with multiresolution analysis have been suggested. In this paper, a new nonlinear multiscale-MSPC method is proposed to address multivariate process performance monitoring and in particular fault diagnostics in nonlinear processes. A kernel principal component analysis (KPCA) model, which not only captures nonlinear relationships between variables but also reduces the dimensionality of the data, is built with the reconstructed data obtained by performing wavelet transform and inverse wavelet transform sequentially on measured data. A guideline is given for both off-line and on-line implementations of the approach. Two monitoring statistics used in multiscale KPCA-based process monitoring are used for fault detection. Furthermore, variable contributions to monitoring statistics are also derived by calculating the derivative of the monitoring statistics with respect to the variables. An intensive simulation study on a continuous stirred tank reactor process and a comparison of the proposed approach with several existing methods in terms of false alarm rate, missed alarm rate and detection delay, demonstrate that the proposed method for detecting and identifying faults outperforms current approaches.     

Determining the Nucleation Rate Curve for Lithium Disilicate Glass by Differential Thermal Analysis

The crystallization of lithium disilicate (Li₂O·2SiO₂) glass nucleated at various temperatures was studied by differential thermal analysis (DTA). A plot of the DTA crystallization peak height versus nucleation temperature closely resembles the classical nucleation rate curve for lithium disilicate glass whose maximum is at 453°C. The glass becomes saturated with internal nuclei when heated at 453°C for 10 h. The DTA technique is a rapid, alternative method for determining the temperature for maximum nucleation. The activation energy for crystallization, E , and the heat of crystallization, H , are independent of the concentration of nuclei and are 249±10 and 67±3 kJ/mol, respectively. The Avrami exponent, n , depends strongly on the concentration of nuclei in the glass.