Method for obtaining high resolution nuclear magnetic resonance heteronuclear spectrogram in unknown spatial distribution magnetic field

A technology of nuclear magnetic resonance and spatial distribution, applied in the direction of measuring magnetic variables, measuring devices, instruments, etc.

Active Publication Date: 2013-12-25
XIAMEN UNIV
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Problems solved by technology

In both methods the inhomogeneous field has to be independent of time and its spatial distribution must be known, which becomes a big hurdle

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  • Method for obtaining high resolution nuclear magnetic resonance heteronuclear spectrogram in unknown spatial distribution magnetic field
  • Method for obtaining high resolution nuclear magnetic resonance heteronuclear spectrogram in unknown spatial distribution magnetic field
  • Method for obtaining high resolution nuclear magnetic resonance heteronuclear spectrogram in unknown spatial distribution magnetic field

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Embodiment Construction

[0040] The invention provides a method for obtaining high-resolution heteronuclear correlation spectra under an unknown spatially distributed magnetic field based on dipole field modulation. The method includes an excited dipole field modulation module, a conventional heteronuclear coherent transfer module, and an indirect dimensional evolution time module. , an odd number of chirp adiabatic pulse spatial encoding modules, and a spatial decoding module based on J-coupled modulation sampling.

[0041] For the convenience of description, the carbon-hydrogen heteronuclear system is used as an example, assuming that I 1 is the proton spin in water, I 2 and S are respectively a pair of CH coupling pairs in the organic matter in the solution, where I 2 is the proton spin, and S is the carbon spin.

[0042] The purpose of exciting the dipole field modulation module is to only excite the proton signal in the solvent (water), so that the first evolution time t 3 Only the evolution o...

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Abstract

The invention provides a method for obtaining a high resolution nuclear magnetic resonance heteronuclear spectrogram in an unknown spatial distribution magnetic field, and relates to nuclear magnetic resonance. According to experimental requirements, whether a signal to noise ratio or sampling efficiency is preferred is judged; if the signal to noise ratio is preferred, a three-dimensional sampling mode is used; if the sampling efficiency is preferred, a spatial encoding and decoding sampling mode is used; samples are obtained after sequential parameters are set, and experimental data are stored after the sampling is over; the stored experimental data are processed; if the experimental data in use are obtained through the three-dimensional sampling mode, the experimental data are constructed into a three-dimensional time-domain matrix, and an experiment spectrogram can be obtained as long as the matrix is subjected to three-dimensional Fourier transformation; if the data in use is obtained through the spatial encoding and decoding sampling mode, first, each data string with the length of np points is divided into np1*ND segments, then, the segments and indirect F3 dimensions form a three-dimensional matrix, and the high resolution nuclear magnetic resonance heteronuclear spectrogram can be obtained as long as the F2 and F3 dimensions of the three-dimensional matrix are subjected to Fourier transformation.

Description

technical field [0001] The invention relates to nuclear magnetic resonance (NMR, Nuclear Magnetic Resonance), in particular to a method for obtaining a high-resolution nuclear magnetic resonance heteronuclear spectrum under an unknown spatially distributed magnetic field. Background technique [0002] NMR has become one of the most effective and widely used detection methods. Today, structural elucidation of complex organic molecules relies heavily on proton-detecting heteronuclear NMR techniques. Among these technologies, heteronuclear single quantum coherence HSQC (Heteronuclear Singular Quantum Correlation), heteronuclear multiple quantum coherence HMQC (Heteronuclear Multiple Quantum Correlation), and heteronuclear multiple bond correlation HMBC (Heteronuclear Multiple Bond Correlation) are the most important 2D NMR methods . HSQC and HMQC are related spectra connected directly by chemical bonds, while HMBC is related spectra connected by chemical bonds separated by mo...

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Application Information

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IPC IPC(8): G01R33/565
Inventor 张志勇陈忠汪凯宇
Owner XIAMEN UNIV
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