Ultra-high resolution nuclear magnetic resonance two-dimensional J decomposition spectrum method

A nuclear magnetic resonance spectrometer and nuclear magnetic resonance technology, applied in the measurement of magnetic variables, measuring devices, instruments, etc., can solve the problems of reduced spectral resolution, difficult and complex sample detection, non-uniform magnetic susceptibility, etc., to improve the spectral resolution. efficiency, eliminate sample inhomogeneity, expand the effect of the application field

Inactive Publication Date: 2019-10-22
XIAMEN UNIV
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Problems solved by technology

However, in practical applications, this technology has two main limitations
First, due to the phase modulation in the traditional two-dimensional J decomposition spectrum experiment, the two-dimensional J decomposition spectrum obtained by this technique is usually displayed in absolute value mode, which reduces the resolution of the spectrum
This resolution problem further makes it difficult for the traditional two-dimensional J-decomposition method to be applied to the detection of complex samples with crowded peaks.
In particular, for the detection of samples containing strong coupling systems, traditional two-dimensional J-decomposition spectra often show strong coupling artifacts, whi

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Embodiment 2

[0051] The present invention proposes an ultra-high-resolution NMR phase-sensitive two-dimensional J-decomposition spectrum for accurately measuring J-coupling constants and obtaining molecular structure information through the combination of novel pulse sequence design and data post-processing methods.

[0052] The above-mentioned ultra-high-resolution nuclear magnetic resonance phase-sensitive two-dimensional J-decomposition spectroscopy method for obtaining molecular structure information. Based on the joint action of the ZS decoupling module and the echo chain sampling module, this method overcomes the shortcomings of the existing two-dimensional J-spectrum technology in practical applications, and effectively eliminates the inhomogeneity of the magnetic field in the gradient direction (z direction) of the spatial selection layer. High-resolution two-dimensional phase-sensitive J-decomposition spectrum can be obtained in an inhomogeneous magnetic field environment, which pr...

Embodiment 1

[0053] Embodiment 1 proposes a kind of ultra-high resolution NMR phase-sensitive two-dimensional J-decomposition spectrum method (refer to Figure 1-3 ). Embodiment 2 is the super-high resolution two-dimensional J-spectrum method (refer to Figure 4 ).

[0054] The sample used in Example 1 and Example 2 is a butyl methacrylate solution dissolved in deuterated acetone, and the sample concentration is 500 millimoles per liter. The instrument used is a Varian 500MHz NMR spectrometer. In order to prove the performance of this method against the inhomogeneity of the magnetic field, the magnetic field in the z direction is artificially adjusted during the monochromatic pulse excitation experiment. According to the operation process proposed by the present invention mentioned above, load the experimental samples, and import the compiled samples such as figure 1 As shown in the pulse sequence, set the corresponding experimental parameters. Specifically for the sample used in this...

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Abstract

The invention provides an ultra-high resolution nuclear magnetic resonance phase-sensitive two-dimensional J decomposition spectrum method used for acquiring molecular structure information and accurately measuring a J coupling constant. The method is based on a combined action of a ZS decoupling module and an echo chain sampling module, shortcomings of an existing two-dimensional J-spectrum technology in practical applications are overcome, and a high-resolution two-dimensional phase-sensitive J-decomposition spectrum can be acquired under an uneven magnetic field environment. . By using themethod, a spectral resolution of the two-dimensional J decomposition spectrum is increased. The method is of great significance for structure detection of a complex sample of a crowded spectrum peak,and an application field of the two-dimensional J decomposition spectrum is expanded. And simultaneously, based on a monochromatic pulse excitation method, the invention provides a sensitivity enhancement method based on multi-color pulse excitation sampling realiztion.

Description

technical field [0001] The present invention relates to nuclear magnetic resonance (Nuclear Magnetic Resonance, NMR) spectroscopy molecular structure detection technology, in particular to a general method for obtaining ultra-high resolution two-dimensional phase-sensitive J-decomposition spectrum, and to accurately obtain molecular structure in an inhomogeneous magnetic field environment method of information. Background technique [0002] As a robust non-invasive detection technique, NMR spectroscopy has a wide range of applications in disciplines such as chemistry, biology, and life sciences. In particular, two-dimensional J-decomposition spectroscopy, as one of the most important NMR techniques, provides more molecular structure information by displaying chemical shift and J-coupling information in two independent dimensions, and is therefore widely used in Assignment of chemical components and measurement of J coupling constants. The most commonly used method in obtai...

Claims

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Application Information

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IPC IPC(8): G01R33/387G01R33/565
CPCG01R33/387G01R33/56572
Inventor 陈忠詹昊霖黄玉清
Owner XIAMEN UNIV
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