化学平衡的多重性、稳定性和重现性

利用动力学方法讨论了非理想的化学反应体系中化学平衡态的多重性、稳定性和实验上的可重现性。分析了实验结果(化学平衡态)与初始条件以及其它动力学过程之间的依赖关系,并简略讨论了化学平衡多重性和稳定性问题在某些实际问题和工程设计中的重要性。     

小波包去噪信号的分形特征

将分形理论与小波包滤波相结合，用盒维数的大小来评判信号曲线的滤波情况。随着小波包分解尺度的增大，滤波后信号曲线的盒维数逐渐减小，并最后趋于稳定值。因此可以根据盒维数-分解尺度曲线来选择最佳分解尺度。对仿真含噪信号进行了滤波实验，结果表明：即使在信噪比低至0．5时仍能得到较好的结果，并且该法用于毛细管电泳实验数据的处理结果同样令人满意。     

一种基于二进小波变换的自适应滤波方法

根据信号和噪声经小波变换后在不同尺度上有不同的特征，将相邻尺度二进小波变换值的相关量进行归一化处理并与小波变换值比较来判断信号与噪声，以噪声在各尺度的方差作为终止迭代的标准，提出了一种基于二进小波变换小波域选择噪声的自适应滤波方法。研究了模拟信号的去噪过程、半峰宽和信噪比对去噪结果的影响，并对模拟含噪信号和含噪毛细管电泳信号去噪前后的结果进行了比较。实验结果表明：由于该方法具有良好的自适应性和显著的滤波效果，必将得到广泛的应用。     

经验模态分解对瞬态电化学响应的滤波处理

用经验模态分解(EMD)对恒电量瞬态响应信号进行滤波处理. 通过计算机仿真实验评估EMD的滤波效果. 为了提高EMD滤波的实用性和减少滤波过程的主观性, 仿真实验主要针对混迭了白噪声、高频噪声和市电干扰以及上述混合噪声的恒电量瞬态响应. 在此基础上, 阐述了EMD滤波对多个时间常数恒电量瞬态响应的重要性, 并利用电化学阻抗谱结果验证了EMD滤波后的恒电量频谱. 结果表明, 经过EMD滤波的恒电量频谱和EIS有很好的相关性. 恒电量瞬态响应的EMD滤波, 采用前两项内在模函数(IMF)和IMF4的50 Hz成分置零的固定模式, 可以获得满意的滤波结果.     

“元素化学实验”中的“异常”现象(一)--Mn元素化学实验中的“异常”现象及其探析

大一学生在“元素化学实验”教学过程中,对反应条件如温度、催化剂、酸度、浓度或试剂用量等因素的影响考虑不周,可能出现某些实验现象和预想的或理论分析的结果不一致的“异常”现象。本文就学生在Mn元素化学实验过程中遇到的一些“异常”现象进行分析和总结,借助生动直观的演示实验,引导学生探究“异常”现象产生的可能原因和直观认识反应条件对反应结果的影响,培养学生的观察、分析、判断、归纳、推理和解决实际问题的能力。     

“元素化学实验”中的“异常”现象(一)--Mn元素化学实验中的“异常”现象及其探析

大一学生在“元素化学实验”教学过程中,对反应条件如温度、催化剂、酸度、浓度或试剂用量等因素的影响考虑不周,可能出现某些实验现象和预想的或理论分析的结果不一致的“异常”现象。本文就学生在Mn元素化学实验过程中遇到的一些“异常”现象进行分析和总结,借助生动直观的演示实验,引导学生探究“异常”现象产生的可能原因和直观认识反应条件对反应结果的影响,培养学生的观察、分析、判断、归纳、推理和解决实际问题的能力。     

培养高阶思维和核心素养的高考有效复习——以“从海洋到餐桌上的碘”为例

选择学生比较熟悉的碘元素,结合海带提碘和精碘制碘酸钾工业生产情境展开复习教学,综合利用元素性质、反应原理探索含碘物质之间相互转化的最优路径,并对转化过程中的某些现象进行实验探究。通过设置有梯度的问题串引导学生在思考、分析、探究、归纳中完成综合型学习任务,实现知识规律化和体系化整合以及高阶思维培养。     

多孔离子交换树脂内的扩散

本文评论了多孔离子交换树脂内的离子扩散过程研究的近期发展,着重讨论了二级分散扩散模型的应用;利用该模型处理和分析实验结果,获得了某些重要的结论。     

无相移滤波技术用于分析化学信号处理

把无相移滤波技术引入了分析化学信号处理领域。其方法为：先将输入序列按顺序滤波，然后将所得结果逆转后反向通过滤波器，再将所得结果逆转后输出。通过对色谱信号的实验研究表明，与普通的数字滤波方法相比较，无相移滤波不但具有普通数字滤波的优点，而且不会产生滤波前后的相位偏移，具有良好的应用前景，尤其对于需要准确计算保留时间的场合，用此预处理方法非常适合。     

有机溶剂对ICP—AES分析性能影响的研究

研究了有机溶剂对电感耦合等离子体－原子发射光谱（ＩＣＰ－ＡＥＳ）分析性能的影响。ＭｏｎｔｅＣａｒｏｌ模拟结果和实验结果表明，只要选择合适的操作参数，有机溶剂直接引入ＩＣＰ不仅不会影响ＩＣＰ的稳定性，还会提高某些元素的灵敏度，从而提高了ＩＣＰ－ＡＥＳ的分析性能。     

真空紫外光电离质谱技术进展及其在快速分析中的应用

真空紫外光电离源(VUV-PI)是一种普适性的质谱软电离源,真空紫外光电离质谱谱图无碎片、易解析、灵敏度高,适合于在线快速分析.真空紫外光电离质谱根据分析对象不同可以直接采用单光子电离或添加掺杂剂实现化学电离,能实现气、液、固体分析,也可实现成像分析.该文介绍了真空紫外光电离源的电离原理、光源类型,分析了光电离质谱灵敏...     

Potential of multisyringe flow-based multicommutated systems

This work is aimed at emphasizing the potential of the multicommutated systems based on the multisyringe flow injection analysis (MSFIA) modality. First, the characteristics, advantages and withdraws offered by flow analysis systems based on the different non-segmented modalities are briefly described. In these systems, multicommutation and computer control of the analytical process occupy a predominant place, as in the case of sequential injection analysis (SIA), multicommutated flow injection analysis (MCFIA), MSFIA and multipumping flow systems (MPFS). Next, several examples are given and different aspects of the implementation of analysers based on MSFIA designs for the construction of different analysis systems, including intelligent (smart) systems, use of sample pre-treatment automatic systems, for chromatographic and non-chromatographic determinations as well as use of monolithic or capillary electrophoresis columns are considered.     

Glycosylation analysis of glycoproteins and proteoglycans using capillary electrophoresis-mass spectrometry strategies

This review highlights recent developments in glycosylation analysis by modern MS in combination with CE based preseparation. Focused on CE-MS strategies aimed for glycotyping, the review addresses the detailed glycoform analysis of glycoproteins, glycopeptides, and proteoglycans. Glycoform analysis in the context of modern glycoproteomics is briefly addressed, as well. CZE, CIEF, and frontal analysis CE approaches hyphenated to high-resolution multistage MS for the detailed analysis of protein-linked glycan structures are overviewed in a comprehensive way. Advantages and limitations of various methodological approaches and techniques as well as mass spectrometric instrumentation are discussed in the particular context of glycoanalysis.     

Chemometrics for material analysis

Chemometric methods are described that provide effective means to enhance the information of analytical methods in material analysis and to enable knowledge engineering tools to be applied within the field. Typical applications are outlined for depth-profile analysis, for pattern recognition on ceramic systems as well as for the utilization of expert systems.     

Recent advances in microchip electrophoresis for analysis of pathogenic bacteria and viruses

Life-threatening diseases, such as hepatitis B, pneumonia, tuberculosis, and COVID-19, are widespread due to pathogenic bacteria and viruses. Therefore, the development of highly sensitive, rapid, portable, cost-effective, and selective methods for the analysis of such microorganisms is a great challenge. Microchip electrophoresis (ME) has been widely used in recent years for the analysis of bacterial and viral pathogens in biological and environmental samples owing to its portability, simplicity, cost-effectiveness, and rapid analysis. However, microbial enrichment and purification are critical steps for accurate and sensitive analysis of pathogenic bacteria and viruses in complex matrices. Therefore, we first discussed the advances in the sample preparation technologies associated with the accurate analysis of such microorganisms, especially the on-chip microfluidic-based sample preparations such as dielectrophoresis and microfluidic membrane filtration. Thereafter, we focused on the recent advances in the lab-on-a-chip electrophoretic analysis of pathogenic bacteria and viruses in different complex matrices. As the microbial analysis is mainly based on the analysis of nucleic acid of the microorganism, the integration of nucleic acid-based amplification techniques such as polymerase chain reaction (PCR), quantitative PCR, and multiplex PCR with ME will result in an accurate and sensitive analysis of microbial pathogens. Such analyses are very important for the point-of-care diagnosis of various infectious diseases.     

毛细管电泳用于药物分析的研究进展

药物分析是毛细管电泳（CE）的重要应用领域,所有CE分离模式与检测方法都在各种药物及其不同形式样品的分离分析中显示出特色和应用能力。该文从药品分析领域中的小分子药物（包括手性药物）及其有关物质、中药与天然产物、体内药物分析、生物制品药物分析等几个方面,综述了近几年CE在这些传统药物分析领域应用的研究进展。限于篇幅,未包括现代药物分析研究比较活跃的理化常数测定、亲和毛细管电泳与结合常数研究（药物与受体间的相互作用等）、临床生物标志物分析、代谢组学和微流控芯片CE分析等方面的内容。根据目前传统药物分析领域的发展,该文关注到近期CE在顺应药物分析的法规需求、电容耦合非接触电导检测（CE-C⁴ D）、改进检测灵敏度与精密度、CE-十二烷基硫酸钠（SDS）毛细管电泳、全柱成像毛细管等电聚焦（icIEF）、抗体分析等方面的新进展。该文结合文献,讨论了目前传统药物分析领域的需求,以及CE在其中的地位、挑战和机遇。对目前CE主要作为互补分析方法在化学药和中药分析中的应用研究提出了一些针对性的建议,期待CE在生物制品分析中的特色和能力得到进一步的发挥,同时提出CE-MS和对CE分析重复性改进等新进展可能对未来CE应用领域的大幅度扩展。该综述主要涉及近3年（2017年1月到2020年2月）及部分2016年的相关文献。     

Chemometric methods in NMR spectroscopic analysis of food products

The main achievements of high-resolution NMR spectroscopy in combination with different chemometric methods in the analysis of food products in the last 40 years are reviewed. The essence of chemometric methods used for the analysis and interpretation of NMR spectra is briefly described. Sample preparation for NMR-spectroscopic analysis is characterized. Methods for the mathematical treatment of NMR spectra (smoothing, Fourier transformation, bucketing, normalization, and selection of spectral ranges) are considered. Currently available methods for the suppression of the signals of macrocomponents, including those for the simultaneous suppression of several signals, are described. The results are illustrated based on examples of analysis of different classes of foodstuffs and beverages with the use of NMR spectroscopy and chemometric methods for classification and discrimination (geographical and botanical origin as well as validating checking the brand authenticity).     

Composition and analysis of liquid smoke flavouring primary products

Smoke flavourings are produced on a large scale and have been applied to a variety of food products for more than 30 years. The use of them has many advantages compared to traditional smoking techniques. Among others, the amount of (known) toxic compounds deriving from combustion processes can be more easily controlled in smoke flavourings. In order to ensure safe products, a new European Regulation requests data on the composition and lays down, in particular, the maximum permitted concentrations for selected polycyclic aromatic hydrocarbons (PAHs). This review compiles results published on the chemical composition of liquid smoke flavouring primary products, partly in relation to production process parameters, and the analytical methods involved. The methods cover chromatographic techniques for analysis of specific compounds including extraction methods and clean-up procedures. Analysis of sensorial and bulk parameters such as acidity and total phenolic compounds are described as well as they are used as standard methods for analysis of liquid smoke flavourings. A special section is devoted to discussing the analysis of PAHs.     

Application of Ranging Analysis to the Quality Assessment of Wines on a Nominal Scale

This work is dedicated to wine quality assessment methods as a problem of considerable current interest. Well-known approaches to wine quality assessment are considered based on the concentrations of volatile substances in wines and on the results of their taste tests. Comparative analysis was carried out for the evaluation of wines on a nominal scale of quality (high, medium, low, and adulterated) by means of discriminant analysis. It was found that the classification of wines based on quality with the use of discriminant analysis as a ranging analysis method with consideration for the concentrations of volatile substances, which are responsible for their organoleptic properties, is highly competitive with their expert (tasting) evaluation. A mathematical model was constructed for the classification of wines into the above categories, and a program module was developed for the automation of calculations.     

Application of liquid chromatography/quadrupole time-of-flight mass spectrometry (LC-QqTOF-MS) in the environmental analysis

This paper gives an overview of the potentials of liquid chromatography-hybrid quadrupole time-of-flight mass spectrometry (LC-QqTOF) in the environmental analysis. Examples of applications of QqTOF instruments for target analysis of pharmaceuticals and pesticides are presented and discussed, as well as applications aimed on the identification of unknown compounds present in environmental waters or on the elucidation of structures of biodegradation and photodegradation products. Specific issues such as uncertainty of mass measurement and quantitative performances are discussed in details.