分析化学计量学

本文是《分析试验室》第四篇“分析化学计量”专题定期评述文章，对我国分析化学计量学领域在１９９５年１月至１９９６年１２月间的研究工作进行了较为全面的概括和评述，内容涉及统计学与统计方法，试验设计与优化，多元校正，分析信号处理，化学模式识别，模拟与数据库及人工智能等方面，收入文献２４２篇。     

分析化学计量学

本文是《分析试验室》定期评述中“分析化学计量学”课题的第一篇评述文章,收集了1980年至1990年国内有关期刊和会议资料,对分析化学计量学在我国近10年来的发展概况作了评述,内容包括基础理论、试验、优化设计与优化方法、分析校正、分析信号处理、因子分析、化学模式识别、结构解析、库检索和计算机应用等。     

化学计量学在电分析化学中的新进展

评述了化学计量学的各种方法,如主成分分析、偏最小二乘、小波分析、人工神经网络等在电分析化学中的进展,主要介绍了这些方法在电分析化学中的应用,并展望了化学计量学在电分析化学中的应用前景。     

化学计量学在电分析化学中的应用

本文对化学计量学各种方法，诸如多元校正，因子分析，信号处理，参数估计，模式识别等电分析化学中的应用作了回顾及评述，指出了化学计量学电分析化学中应用的良好前景。     

金属材料分析

本文是《分析试验室》定期评述中“金属材料分析”的第一篇论述,评述了１９９７年７月至１９９９年６月间国内金属材料分析的进展,包括概述、试样前处理,各种分析方法及化学计量学的应用研究。引用文献６７６篇。     

化学计量学在稀土分析中的应用及进展

本文对化学计量学在吸光光度法、荧光光度法、ICP- AES等稀土分析中的应用进行评述 ,并指出了化学计量学在稀土分析应用中的发展方向 .引用参考文献 98篇     

化学计量学在有机物电分析化学中的应用

化学计量学在有机物电分析化学中的应用日益广泛，并发挥重要的作用。本文就化学计量学方法在色素、抗氧化剂、维生素、氨基酸、环境污染物、农药及药物等电分析化学方面的应用作一综述。引用参考文献58篇。     

化学计量学方法在光谱解析中的应用进展

本文对近20年来化学计量学在光谱分析测试中的应用进行了评述。指出了化学计量学在光谱分析中的重要性和应用前景。引用文献共129篇。     

化学计量学在分析化学中的应用

从化学定量构效关系、模式识别法、人工神经网络、波谱化学、多元校正分析法等方面对化学计量学在分析化学中的应用进行了综述。阐明了化学计量学在分析化学中的作用及广阔的应用前景。     

电分析化学中的化学计量学方法及其应用进展

本文综述了电分析化学领域中化学计量学方法的应用进展，引用文献65篇。     

信息论与化学计量学

本文讨论了信息论在发展分析化学计量学中的意义和作用以及信息论在化学计量学中应用的一般规律和关系，总结了信息科学对化学计量学发展的贡献。     

Meeting reports: International conference on chemometrics in analytical chemistry

In the field of analytical chemistry, chemometrics has been defined as 'the chemical discipline which uses mathematical and statistical methods to achieve the aim of analytical chemistry, namely the obtention, in the optimal way, of relevant information about material systems'. There has been a tremendous growth of interest in the role of chemometrics in analytical chemistry in recent years and this has been reflected in the number of symposia devoted to the subject. Two meetings, held in Europe in September 1982, covered different aspects of chemometrics and some of the more significant points discussed are summarized in the reports below.     

Chemometrics:Research on Basic Algorithms and Their Applications

Some aspects of the fundamental problems of chemometrics are reviewed based on the research work undertaken in this laboratory. The topics touched upon Include analytical information theory, experimental design and optimization, sampling, analytical detection theory, calibration, signal processing, chemical pattern recognition, quantitative structure-activity relationships, digital simulation, and teaching chemometrics as a chemical discipline.     

Comprehensive Review on Application of FTIR Spectroscopy Coupled with Chemometrics for Authentication Analysis of Fats and Oils in the Food Products

Currently, the authentication analysis of edible fats and oils is an emerging issue not only by producers but also by food industries, regulators, and consumers. The adulteration of high quality and expensive edible fats and oils as well as food products containing fats and oils with lower ones are typically motivated by economic reasons. Some analytical methods have been used for authentication analysis of food products, but some of them are complex in sampling preparation and involving sophisticated instruments. Therefore, simple and reliable methods are proposed and developed for these authentication purposes. This review highlighted the comprehensive reports on the application of infrared spectroscopy combined with chemometrics for authentication of fats and oils. New findings of this review included (1) FTIR spectroscopy combined with chemometrics, which has been used to authenticate fats and oils; (2) due to as fingerprint analytical tools, FTIR spectra have emerged as the most reported analytical techniques applied for authentication analysis of fats and oils; (3) the use of chemometrics as analytical data treatment is a must to extract the information from FTIR spectra to be understandable data. Next, the combination of FTIR spectroscopy with chemometrics must be proposed, developed, and standardized for authentication and assuring the quality of fats and oils.     

化学计量学研究及其应用

本文介绍了化学计量学的产生、发展、研究内容及主要应用,对有关工作进行了评述。     

Analytical chemistry as an information science

The application of chemometrics to extract chemical information from analytical measurements will ensure that full advantage is taken of computerized instrumentation and that analytical chemistry evolves as a true information science.     

Developments on chemometric approaches to optimize and evaluate microextraction

Chemometric experimental design in microextraction plays a crucial role in sustaining the highest quality of analytical data. Making use of the main significant points of chemometric experimental design and microextraction in analytical chemistry we formed the core of this review article. A step-by-step chemometric approach is provided to optimize and validate microextraction-based analytical processes. Significant applications are reported with developments related to microextraction combined with chemometric optimization processes. As it appears from the numerous examples provided in this review, a great number of researchers give credit to the combination of microextraction and chemometrics recognizing that it significantly streamlines sample processing. Moreover, the combination of microextraction with chemometrics addresses problems relating to improvement in detectability and method validation. A worked example on the microextraction of polychlorinated biphenyls is incorporated into the relevant sections of this article and comprehensively provides in a rational and integrated way guidance to people dealing with this subject.     

化学计量学的基础算法与应用研究

本文综合讨论了化学计量学的一些基础问题,包括分析信息理论、实验设计与优化、采样理论、分析检测理论、校正理论、分析信号处理、化学模式识别和计算机数字模拟等,并介绍了作者实验室的部分近期工作。     

Avoiding pitfalls with chemometrics and PAT in the pharmaceutical and biotech industries

This article is to help pharmaceutical scientists, especially those who do not specialize in chemometrics, to avoid obvious errors and pitfalls. It is also intended to inform the wider analytical community about the possibilities and the limitations of different chemometric approaches. While several of these issues can apply to the general use of chemometric tools, others are more specific to the recent increase in their use in development and manufacture of pharmaceuticals. This review covers the basics of chemometrics and critically discusses common errors and dangers encountered when uninitiated scientists apply the techniques.