二维相关光谱法及其在蛋白类物质分析中的研究进展  

The Research Progress of Two-Dimensional Correlation Spectroscopy and Its Application in Protein Substances Analysis

作　　者：李晨曦[1] 孙泽宇 赵瑜 尹利辉 陈文亮[1,3] 刘蓉[1,3] 徐可欣[1,3] LI Chen-xi;SUN Ze-yu;ZHAO Yu;YIN Li-hui;CHEN Wen-liang;LIU Rong;XU Ke-xin(School of Precision Instrument and Opto-Electromics Engineering,Tianjin University,Tianjin 300072,China;Institute for Chemical Drug Control,National Institutes for Food and Drug Control,Beijing 102629,China;State Key Laboratory of Precision Measuring Technology and Instruments,Tianjin University,Tianjin 300072,China)

机构地区：[1]天津大学精密仪器与光电子工程学院,天津300072 [2]中国食品药品检定研究院化学药品检定所,北京102629 [3]天津大学精密测试技术及仪器国家重点实验室,天津300072

出　　处：《光谱学与光谱分析》2023年第7期1993-2001,共9页Spectroscopy and Spectral Analysis

基　　金：国家自然科学基金项目(81871396,81971657,81671727);国家药品监督管理局重点实验室项目(1030350090121);天津市自然科学基金重点项目(20JCZDJC00630);天津市自然科学基金面上项目(19JCYBJC29100);国家药品标准制修订研究课题(2022Y17)资助。

摘　　要：二维相关光谱法是将特定形式的微扰作用于样品,通过测定一系列扰动作用下的动态光谱,结合数学相关分析,获取与样品中分子结构及作用力相关的二维相关谱特征。该方法主要基于分子振动光谱,将一维光谱扩展到二维空间,能有效提高光谱分辨率,从而识别原始光谱中重叠的分子振动变化特征,为研究分子内及分子间的化学键变化提供依据,在生物医学、药学、食品科学、环境科学以及高分子材料等领域应用广泛。自1986年Noda提出广义二维相关算法以来,二维相关光谱衍生出了投影二维相关、串联二维相关、基于模型的二维相关、异质谱二维相关、移动窗口二维相关等算法。随着近年来生物技术的迅速发展,多肽、蛋白质、酶等蛋白类物质由于参与人体重要生理化学反应过程,对其结构(尤其是高级构象)的分析是研究蛋白类物质质量及疗效的关键。二维相关光谱方法为生物医药中蛋白类物质结构研究提供了快速、无损的定性定量分析方法,可分析蛋白质类物质高级结构中的细微变化,为生物大分子药物机制机理研究提供有力的支撑。综述了二维相关光谱技术的基本原理、谱图解析方法和技术进展,以及其在蛋白类物质分析中的应用方向和前景,为相关领域研究人员应用二维相关光谱法开展蛋白类物质的结构和分子间相互作用等研究提供参考。Two-dimensional correlation spectroscopy(2D-COS)is a versatile technique to sort out important information in spectral variations under various external perturbations.A series of dynamic spectra exhibiting perturbation-induced changes can be readily transformed into two-dimensional correlation spectra based on cross-correlation analysis.2D-COS has many advantages,such as enhanced spectral resolution,identification of inter-or intramolecular interactions,and chemical bond changes.It has been well-accepted as a powerful analytical technique in many fields of spectroscopic studies,such as biomedicine,pharmacy,food science,environmental science,and polymer materials.Firstly introduced by Noda in 1986,the generalized two-dimensional correlation algorithm had been extended to more two-dimensional correlation algorithms,such as projection two-dimensional correlation,tandem two-dimensional correlation,model-based two-dimensional correlation,hetero-mass spectrum two-dimensional correlation and moving window two-dimensional correlation,have been proposed and widely applied.With the rapid development of biotechnology in recent years,the structure(especially advanced structure)analysis of peptides,proteins,enzymes and other protein substances is the key factor inthe quality and efficacy of protein substances due to their participation in important physiological and chemical reaction processes of the human body.2D-COS provides a fast,non-destructive qualitative and quantitative analysis method for studying protein structure in biomedicine.It can be used to analyze further the microstructures,such as protein secondary structure,which provides strong support for the mechanism research of biological macromolecule drugs.This article reviews both the technology and application development of 2D-COS and systematically summarizes the basic method principles,algorithm implementation and application progress in protein analysis,which provides a ready reference and overview for the applications of 2D-COS.

关 键 词：二维相关光谱法 蛋白类物质高级构象 生物大分子药物 红外光谱法 拉曼光谱法 近红外光谱法 

分 类 号：O433.41[机械工程—光学工程]