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NMR Spectrum Acquisition Method Based on Fourier Transform NMR Spectrum Superposition Peak Shape

A Fourier transform and nuclear magnetic resonance spectrum technology, which is applied in the field of nuclear magnetic resonance spectrum acquisition based on Fourier transform nuclear magnetic resonance spectrum superposition peak shape, can solve the problem that the resolution of nuclear magnetic resonance cannot be substantially improved, the equipment is bulky and cumbersome, etc. problem, to achieve the effect of shortening sampling time, low cost and high efficiency

Active Publication Date: 2019-03-15
FU JIAN JIA PU XIN KE TECH CO LTD
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  • Abstract
  • Description
  • Claims
  • Application Information

AI Technical Summary

Problems solved by technology

Doubling the magnetic field strength can double the resolution, but the manufacturing cost and technical requirements of the nuclear magnetic resonance spectrometer need to be more than doubled, and the equipment will also become bulky and cumbersome, such as the world's largest ultra- The guiding static magnetic field strength is 24 Tesla, it is five meters high and weighs 15 tons
The NMR spectrum can narrow the peak width by prolonging the sampling time, but under the influence of the surrounding environment of the nucleus, the NMR has a relaxation effect, and the free induction decay signal will quickly weaken to zero. When the sampling time exceeds the attenuation to zero value, the NMR Resonance resolution is not likely to be substantially improved

Method used

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  • NMR Spectrum Acquisition Method Based on Fourier Transform NMR Spectrum Superposition Peak Shape
  • NMR Spectrum Acquisition Method Based on Fourier Transform NMR Spectrum Superposition Peak Shape
  • NMR Spectrum Acquisition Method Based on Fourier Transform NMR Spectrum Superposition Peak Shape

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Embodiment 1

[0146] like Figure 8 Shown is the 300 MHz NMR free induction decay real channel signal of ethylbenzene, Figure 9 is the virtual channel signal. Figure 8 and Figure 9 The free induction decay real signal of the NMR spectrum of ethylbenzene obtained by the existing Fourier transform method is shown in Figure 10 , it has three sets of proton spin coupling characteristic peaks: 1.1 to 1.2ppm is the methyl peak, 2.5 to 2.6ppm is the methylene peak, 7.1 to 7.2ppm is the phenyl peak, and 1.466ppm is the solvent impurity peak.

[0147] Further, in this embodiment, according to the absorption peak shape equation 10 of the Fourier transform superimposition Figure 8 and Figure 9 The original signal is superimposed and transformed. In order to ensure the NMR frequency peaks in the entire measurement range, all sampling frequency components ω 0 Doing the superposition operation is equivalent to taking N times the time to complete the superposition of N components.

[0148] Th...

Embodiment 2

[0151] According to the existing Fourier transform theory, the signal f(t) composed of harmonics needs to be discretely sampled, and the number of samples is set to N, and a group of discrete signal points f(0), f(1), f(2) are intercepted ),···,f(k),···,f(N-1). Discretized Fourier transform results in N data F(0), F(1), F(2),··F(k),···,F(N-1), expressed in matrix form:

[0152]

[0153] In the formula, W=exp(-i2π / N) of the N×N Fourier transform matrix.

[0154] Add a diagonal superposition matrix to the original Fourier transform matrix to get:

[0155]

[0156] Further, it is possible to determine whether the diagonal matrix elements are 2 or 0, or a decimal close to 0, column by column, or within the preset resolution condition ΔN area. The NMR spectrum sets the number of samples based on the computer binary, so the diagonal of the matrix can be sorted according to 2...2, 0...0, 2...2, 0...0, ... to perform left superposition. The diagonal of the matrix can also be ...

Embodiment 3

[0160] For the two symmetrical superposition functions, see Equation 5.1 and Equation 5.2, the front and rear left (right) superposition and right (left) superposition can be performed synchronously on adjacent harmonic signals, such as Figure 15 As shown by the dotted line, two adjacent overlapping peaks can achieve the resolution equivalent to four times the Fourier transform, and the solid line shows the effect of superposition transform.

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Abstract

The invention relates to a method for acquiring a nuclear magnetic resonance spectrum based on the Fourier transform nuclear magnetic resonance spectrum superposition peak shapes, which comprises thesteps of performing Fourier transform on time domain signals detected by nuclear magnetic resonance dual channels in a nuclear magnetic resonance imaging device to obtain a Fourier transform absorption peak shape, a Fourier transform divergence peak shape and a Fourier transform amplitude peak shape; performing peak shape superposition processing on the obtained peak shapes according to a superposition function to respectively obtain a Fourier transform superposed absorption peak shape, a Fourier transform superposed divergence peak shape and a Fourier transform superposed amplitude peak shape; and acquiring a corresponding nuclear magnetic resonance spectrum according to the signals subjected to peak shape superposition processing. According to the method provided by the invention for acquiring a nuclear magnetic resonance spectrum based on the Fourier transform nuclear magnetic resonance spectrum superposition peak shapes, the peak width is reduced by the half and peak signals are doubled after Fourier transform, which is equivalent to an effect that a magnetic field which is doubled in size is acquired with the same sampling time or an effect that the same resolution can be acquired on the same instrument by shortening half of the sampling time.

Description

technical field [0001] The invention relates to mathematical transformation, signal processing and nuclear magnetic resonance spectrum method, in particular to a nuclear magnetic resonance spectrum acquisition method based on Fourier transform nuclear magnetic resonance spectrum superposition peak shape. Background technique [0002] Mathematical transformations are widely used in signal processing, spectral analysis, and digital images. All of these technologies have been working on how to improve signal resolution, reduce noise, and quickly realize data acquisition and conversion. With the rapid development of existing computer technology, data acquisition, storage, calculation and display are basically no longer the restrictive factors to be considered in mathematical transformation. [0003] As one of the greatest inventions of mankind in the 20th century, nuclear magnetic resonance has profoundly changed our understanding and cognition of the microscopic world. This mo...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G01R33/46
CPCG01R33/46
Inventor 陈舒平
Owner FU JIAN JIA PU XIN KE TECH CO LTD
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