复杂基质样品光谱定量分析的化学计量学方法研究进展
Progress of chemometrics methods for spectral quantitative analysis of complex matrix samples
卞希慧 1张可欣 1凌梦旋 1李子涵 1刘曙2
作者信息
- 1. 天津工业大学化学工程与技术学院,天津 300387
- 2. 上海海关工业品与原材料检测技术中心,上海 200135
- 折叠
摘要
光谱分析技术因具有简单、快速、无损等优势,已广泛应用于食品、医药、石化、冶金等领域,其中化学计量学方法是光谱分析技术的关键.本文总结了复杂基质样品定量分析的基本流程与框架,包括数据分组、光谱预处理、变量选择以及多元校正等4个步骤.文章简要介绍了这4个方面的传统方法,并详细介绍了 2018年以来光谱定量分析领域中化学计量学方法的最新进展.为化学计量学方法在光谱分析领域的进一步推广和应用提供了重要参考依据.
Abstract
The spectral analysis technology has been widely used in food,medicine,petrochemical,metallur-gy,and other fields due to its advantages of simplicity,rapidity,and nondestructive test.Therein,the che-mometrics method is the key to spectral analysis technology.This paper summarizes the basic process and framework for quantitative analysis of complex matrix samples,including the data grouping,spectral pre-processing,variable selection,and multivariate calibration.Traditional methods in these four areas are brief-ly introduced,and recent advances in chemometric methods in the field of quantitative spectral analysis since 2018 are introdued in detail.It provides an important reference basis for the further promotion and ap-plication of chemometric methods in the field of spectral analysis.
关键词
化学计量学/数据分组/光谱预处理/变量选择/多元校正Key words
chemometrics/data grouping/spectral pre-processing/variable selection/multivariate calibration引用本文复制引用
基金项目
海关总署科研项目(2022HK128)
海关总署科研项目(2020HK253)
出版年
2024
NETL
NSTL
万方数据