A NMR Diffusion Spectroscopy Method Based on Pure Chemical Shift

Abstract

The invention discloses a pure chemical shift-based nuclear magnetic resonance diffusion spectroscopy method, and relates to nuclear magnetic resonance spectroscopy detection. A response echo diffusion module is used to realize diffusion coefficient evolution; a PSYCHE pure chemical shift decoupling module is used to eliminate J coupling effect induced spectral peak splitting, and one-dimensionalpure chemical shift spectrum information is provided for the measurement of the diffusion coefficient; and specific data fitting processing is carried out to obtain a pure chemical shift-diffusion coefficient related two-dimensional diffusion spectrum, and the two-dimensional diffusion spectrum is used to directly detect the diffusion coefficient of every component in a sample and the error thereof and realize component separation of the sample. The method does not need a special sample processing process, is simple and easy, and is suitable for any routine nuclear magnetic resonance spectrometer.

Description

technical field [0001] The invention relates to nuclear magnetic resonance spectroscopy detection, in particular to a pure chemical shift-based nuclear magnetic resonance diffusion spectrum that can obtain a pure chemical shift-diffusion coefficient correlation two-dimensional spectrum, which can be used to detect the diffusion coefficient of complex mixture components and realize component separation method. Background technique [0002] As a non-invasive non-destructive testing and analysis technology, nuclear magnetic resonance spectroscopy is widely used in chemistry, biology, materials and other disciplines, especially hydrogen nuclear magnetic resonance spectroscopy is the most widely used. NMR spectroscopy can provide not only structural information such as molecular structure and spin-nuclear coupling network, but also molecular dynamics information such as relaxation and diffusion. Among them, the diffusion coding evolution of nuclear magnetic resonance signals usi...

AI Technical Summary

Problems solved by technology

Although the above method provides a direct and effective way to measure the diffusion coefficient, it also has some obvious defects.

First of all, due to the influence of the J-coupling effect, the peak intensity of the obtained one-dimensional hydrogen spectrum will be modulated by the J-couple, which will distort the amplitude and phase of the peak signal, and eventually lead to inaccurate measurement of the diffusion coefficient.

Secondly, due to the peak splitting caused by the J-coupling effect and the narrow chemical shift range of the one-dimensional hydrogen spectrum itself, the obtained one-dimensional hydrogen spectrum often appears crowded.

Especially in the detection of complex samples, this phenomenon will be more serious, and eventually lead to the inability to accurately assign and quantify the peak signals required for diffusion coefficient fitting.

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