用于生物组织代谢物检测的核磁共振波谱新方法研究

项目名称： 用于生物组织代谢物检测的核磁共振波谱新方法研究

项目编号： No.11505079

项目类型： 青年科学基金项目

立项/批准年度： 2016

项目学科： 数理科学和化学

项目作者： 陈妤姗

作者单位： 集美大学

项目金额： 21万元

中文摘要： 本项目针对生物组织代谢物检测方法中普遍存在的信噪比和分辨率都较低的问题提出解决方案，发展基于分子间多量子相干和三维采样技术在不均匀场下获得高分辨二维J分解谱的新序列。首先，我们将研究高极化自旋体系中双偶极场调制下的iMQC信号特性及其作用机理。基于偶极场理论和积算符公式相结合的分析方法给出完整理论表达式，进行相应的计算机模拟并用实验验证。以此为基础，设计一种基于分子间零量子和三维采样技术的脉冲新序列，用以在不均匀场下获得高分辨COSY谱，这对于组织样品定域二维COSY谱具有重要的应用前景。最后，提出一种能够在不均匀场下获得高分辨二维J分解谱的脉冲序列，使之既可以应用于人为调偏匀场电流产生的不均匀场，也可以适用于组织样品中本征磁化率引起的宏观不均匀场。本项目的开展将为获取生物组织代谢物成分以及化合物结构的解析、蛋白质的动力学研究提供更多的可能，因此具有重要的学术意义和应用前景。

中文关键词： 核磁共振波谱；高分辨；J分解谱；二维相关谱

英文摘要： NMR spectroscopy is a commonly used technique for metabolite analyses. However, the inhomogeneity can introduce variations of phase and frequency, then cause line broadenings and severe signal-to-noise ratio (SNR) loss. This project aims to propose an NMR method to achieve high-resolution J-resolved information for metabolite analyses directly from intact biological samples. First, the characters and mechanisms iMQC signals modulated from double distant dipolar fields will be analyzed systematically and quantificationally. Complete theoretical expressions will be explicitly derived from the dipolar field treatment combined with product operator formalism. Second, based on iMQCs and 3D acquisition technique，the new sequences will be proposed to obtain high-resolution COSY spectra and J-resolved spectra in inhomogeneous fields, respectively. On the basis of distant dipolar interactions and the FOC technique, new pulse sequences will be proposed to obtain homonuclear broadband-decoupled proton NMR spectra in modest to severe inhomogeneous fields with time efficient acquisitions. The new method will also be applied to actual biological systems, to show the feasibility of our sequences, thereby promoting NMR techniques as a wider range of applications.

英文关键词： NMR spectroscopy;High-resolution; J-resolved spectroscopy ;2D correlation spectroscopy