定量核磁共振实验方法及典型应用  

Quantitative nuclear magnetic resonance:Experimental methods and typical applications

作　　者：唐娟 胡高飞[1] TANG Juan;HU GaoFei(Analysis and Testing Center,College of Chemistry,Beijing University of Chemical Technology,Beijing 100029,China)

机构地区：[1]北京化工大学化学学院分析测试中心,北京100029

出　　处：《北京化工大学学报(自然科学版)》2025年第2期1-14,共14页Journal of Beijing University of Chemical Technology(Natural Science Edition)

基　　金：国家自然科学基金面上项目(22076010)。

摘　　要：定量核磁共振(qNMR)技术是一种通用性强、准确度高的定量分析手段,具有操作简单、无需待测物标样进行参考、在定量分析的同时可对待测物及杂质进行结构解析等优点,在药物、食品、天然产物、代谢组学等定量分析领域得到广泛应用。定量核磁共振的基本原理是基于不同化学环境下产生特定共振信号的原子个数与其核磁响应信号强度成正比,并且在优化条件下同种原子核在不同分子间的信号响应无差异性。为了得到准确的信号强度以获取精准的定量结果,本文从样品制备、实验参数优化及数据处理等方面进行了综述,并以低丰度(浓度)物质的氢定量核磁共振(^(1)H qNMR)分析以及高纯物质(标准物质等)的纯度核磁共振定值这两种目前最典型的^(1)H qNMR应用场景为例,详述了相关实验方法的建立,为不同领域的核磁共振定量分析提供了普适性参考。Quantitative nuclear magnetic resonance(qNMR)technology is a highly versatile and accurate quantita-tive analysis approach.Due to its merits,such as simple operation,no requirement for reference standards of the analytes,and the capacity to conduct structural analysis of the analytes and impurities simultaneously during quan-titative analysis,it has found extensive applications in the quantitative analysis of materials such as pharmaceuti-cals,food,natural products,and metabolomics.The fundamental principle of quantitative nuclear magnetic reso-nance is that the number of atoms generating a specific resonance signal in different chemical environments is pro-portional to the intensity of the nuclear magnetic response signal,and the signal response of the same atomic nucleus in different molecules shows no discrepancy under optimized conditions.In this paper,we review the sample preparation procedures,experimental parameter optimization and data processing methods required in order to obtain accurate signal intensities and,hence,accurate quantitative results.Taking the two currently most typi-cal ^(1)H qNMR applications,namely hydrogen quantitative NMR(^(1)H qNMR)analysis of low-abundance(concentra-tion)substances and purity determination of high-purity substances(reference materials,etc.),as examples,we have highlighted relevant experimental methods and provide a general overview of the use of NMR quantitative analysis in various fields.

关 键 词：核磁共振 定量核磁共振分析 ^(1)H qNMR NMR实验方法 

分 类 号：O482.532[理学—固体物理]