A method of hyperselective one-dimensional homonuclear correlation nuclear magnetic resonance spectroscopy without coupling cleavage

Abstract

The application discloses a kind of superselectivity one-dimensional full correlation nuclear magnetic resonance spectrum methods of uncoupling split, is using GEMSTONE module to obtain crowded spectrum area multiplet signal superhigh selectivity, realize in crowded spectrum area selection target multiplet signal, then, using one-dimensional full correlation spectrum module evolution out with target multiplet signal related coupling network information, finally, using PSYCHE pure chemical shift module realizes the coupling split removal of target multiplet in one-dimensional full correlation spectrum, obtains uncoupling split superselectivity one-dimensional full correlation nuclear magnetic resonance spectrum.The application has remarkable effect of simplifying crowded spectrum, and has important value for non-invasive analysis complex sample system composition and molecular structure.

Description

Technical Field

[0001] This invention is applicable to the component analysis and structural determination of complex chemical samples exhibiting crowded spectra. It relates to the field of nuclear magnetic resonance spectroscopy detection, and in particular to a general method for obtaining superselective one-dimensional fully correlated nuclear magnetic resonance spectra with decoupling fragmentation. Background Technology

[0002] One-dimensional nuclear magnetic resonance spectroscopy (1DNMR), with its non-invasive detection, precise quantification, and rapid detection capabilities, plays a vital role in disciplines such as chemistry, biology, medicine, food science, and metabolomics. Because... 1 The H nucleus has higher detection sensitivity, 1D 1 HNMR spectroscopy is widely used in sample composition analysis, molecular structure detection, and kinetic analysis. However, when probing sample systems with complex compositions and molecular structures, due to… 1 The H nucleus has a narrower chemical shift range (10-15 ppm) and 1 H- 1 The multipeak splitting effect caused by H scalar coupling makes 1D 1 In NMR spectroscopy, peaks with similar chemical shifts (i.e., frequencies) tend to cluster together, exhibiting spectral congestion, which is detrimental to spectral analysis and peak assignment. To address this, selective one-dimensional fully correlated spectroscopy (1DTOCSY) has been proposed as a useful method to alleviate spectral congestion. The selective 1DTOCSY method leverages the selectivity of selective radio frequency pulses to select the target multipeak signal of interest. Through mixing period evolution, it obtains the spectral peak signal fully correlated with the target multipeak signal, thereby achieving selective detection of the target coupling network and simplifying the congested NMR spectrum.

[0003] Existing selective 1DTOCSY methods have two major drawbacks. First, conventional selective 1DTOCSY methods rely on selective radio frequency pulses to excite specific frequencies, making their performance highly dependent on the frequency shift and selectivity of the selected radio frequency pulses used. In highly crowded spectral regions, due to the close proximity of signal frequencies, it is difficult to eliminate interference from surrounding frequency signals, accurately excite and extract the target signal, and thus cannot accurately resolve crowded spectra, leading to erroneous component analysis and structure determination results. Second, provided that the target multipeak signal is accurately selected, conventional selective 1DTOCSY methods can acquire information from all peaks fully correlated with the target signal. However, when there are close chemical shifts and complex multipeak splitting effects in the selective 1DTOCSY spectrum, it still leads to spectral crowding, hindering peak assignment and spectral information reading, and limiting its application in the detection of complex sample systems. Summary of the Invention

[0004] This invention addresses the shortcomings of existing technologies by proposing a non-coupling splitting superselective one-dimensional fully correlated nuclear magnetic resonance spectroscopy method. This method aims to accurately select target multiple peak signals in crowded spectral regions and remove coupling splitting effects in selective 1DTOCSY spectra, thereby simplifying crowded NMR spectra and enabling non-invasive detection of the composition and molecular structure of complex sample systems.

[0005] To achieve the above-mentioned objectives, the present invention adopts the following technical solution:

[0006] The present invention provides a non-coupling splitting superselective one-dimensional fully correlated nuclear magnetic resonance spectroscopy method, characterized by the following steps:

[0007] 1) Collect the two-dimensional J decomposition spectrum or pure chemical shift spectrum of the test sample, and obtain the chemical shift information of the target multiple peak signal from the two-dimensional J decomposition spectrum or pure chemical shift spectrum;

[0008] 2) Construct pulse sequences of uncoupled splitting superselective one-dimensional total correlation spectrum according to time sequence, including: the first nonselective hard pulse with a flip angle of π / 2, the GEMSTONE module, the one-dimensional total correlation spectrum module, the PSYCHE pure chemical shift module, and the NMR signal sampling period t2;

[0009] The pulse combination in the GEMSTONE module consists of a co-acting spatial weak gradient G1 and a first chirp sweep pulse C1 with a flip angle of π, a first spatial gradient G2, a selective pulse with a flip angle of π, a second spatial gradient G2, a co-acting spatial weak gradient G1, and a second chirp sweep pulse C2 with a flip angle of π; wherein, the frequency scanning directions of the first chirp sweep pulse C1 and the second chirp sweep pulse C2 are opposite, and the selective pulse with a flip angle of π is located at the exact center of the GEMSTONE module;

[0010] The one-dimensional fully correlated spectrum module consists of a zero quantum filtering module and a mixing period module;

[0011] The pulse combination of the zero quantum filter module consists of a second non-selective hard pulse with a flip angle of π / 2, a co-acting spatial gradient G3, a third chirp sweep pulse C3 with a flip angle of π, a spatial gradient G4, a co-acting spatial gradient G5, a fourth chirp sweep pulse C4 with a flip angle of π, a spatial gradient G6, and a third non-selective hard pulse with a flip angle of π / 2; wherein the frequency scanning directions of the chirp sweep pulses C3 and C4 with a flip angle of π are the same.

[0012] The mixing period module is either a DIPSI2 module or an MLEV17 module, and is positioned between the spatial gradient G4 and the chirp sweep pulse C4;

[0013] The pulse combination of the PSYCHE pure chemical shift module consists of a first evolution time of t1 / 2, a first spatial gradient G7, a non-selective hard pulse with a flip angle of π, a second spatial gradient G7, a first spatial gradient G8, a pair of small-angle saltire chirp pulses with a flip angle of β acting together, and spatial gradients G9, G8, and a second evolution time of t1 / 2; wherein, a small-angle saltire pulse with a flip angle of β is generated by chirp pulses with opposite sweep directions, and t1 is the indirect dimensional evolution time;

[0014] 3) Initialize each parameter in the pulse sequence, and set the parameters of the selective pulse with a flip angle of π in the GEMSTONE module according to the chemical shift information of the target multiple peak signal; thereby importing the initialized pulse sequence into the spectrometer and sampling the uncoupled splitting superselective one-dimensional fully correlated nuclear magnetic resonance spectrum data generated by the pulse sequence.

[0015] The unique feature of the uncoupled splitting superselective one-dimensional fully correlated nuclear magnetic resonance spectroscopy method described in this invention is that:

[0016] Based on the chemical shift information of the target multipeak signal, the target multipeak signal is selected using a selective pulse with a flip angle of π in the GEMSTONE module. The duration τ1 of the first chirp sweep pulse C1 and the duration τ2 of the second chirp sweep pulse C2 in the GEMSTONE module, as well as the sweep width bw1 of the first chirp sweep pulse C1 and the sweep width bw2 of the second chirp sweep pulse C2, are used to suppress interference signals at frequencies surrounding the target multipeak signal.

[0017] The present invention provides an electronic device, including a memory and a processor, wherein the memory is used to store a program that supports the processor in executing the superselective one-dimensional fully correlated nuclear magnetic resonance spectroscopy method, and the processor is configured to execute the program stored in the memory.

[0018] The present invention discloses a computer-readable storage medium on which a computer program is stored, wherein the computer program, when executed by a processor, performs the steps of the superselective one-dimensional fully correlated nuclear magnetic resonance spectroscopy method.

[0019] Compared with the prior art, the beneficial effects of the present invention are as follows:

[0020] 1. This invention achieves ultra-high selectivity of target multipeak signals in single-scan experiments by using the GEMSTONE module. It realizes super-selective excitation and accurate extraction of target multipeak signals in crowded spectral regions, and suppresses interference signals around the target signal. This overcomes the shortcomings of existing selective pulse methods that rely on selective pulses to select and excite target multipeaks located in crowded regions, thereby promoting rapid and accurate resolution of crowded spectra and improving the efficiency of component analysis and structure determination.

[0021] 2. This invention, through the organic combination of the GEMSTONE module, the one-dimensional full correlation spectroscopy module, and the PSYCHE pure chemical shift module, obtains the coupled full correlation NMR peaks of the target multi-peak signal in the crowded spectral region, and further removes the coupling splits in the spectrum. This overcomes the shortcomings of the traditional one-dimensional selective correlation spectroscopy method in analyzing complex sample systems, and simplifies the spectrum. It is of great significance for the detection and identification of complex samples with highly crowded NMR spectra.

[0022] 3. The present invention provides a non-coupling splitting superselective one-dimensional fully correlated nuclear magnetic resonance spectroscopy method, which has important application significance for the detection and analysis of samples with complex composition and molecular structure, and can effectively expand the application scope of nuclear magnetic resonance spectroscopy technology. Attached Figure Description

[0023] Figure 1 This is a one-dimensional sample of estradiol used in the examples. 1 H spectrum and its molecular structure diagram;

[0024] Figure 2 It is a pulse sequence diagram, in which 1 In the H channel, the solid black rectangle represents a non-selective hard pulse, the arrowed rectangle represents a chirp sweep pulse, the arrow direction indicates the sweep direction, and the semi-elliptical pulse represents a selective radio frequency pulse; G1-G9 in the PFG channel represent the spatial gradient in the z direction; t1 is the indirect dimensional evolution period, and t2 is the sampling period.

[0025] Figure 3 This is the result image of selecting spectral peak 12β located in the crowded spectral region using only the GEMSTONE module;

[0026] Figure 4 This method uses only the PSYCHE pure chemical shift module to obtain broadband homonuclear decoupling spectra after removing coupling splits.

[0027] Figure 5 The image is a superselective one-dimensional TOCSY spectrum acquired using the GEM-PS-TOCSY method proposed in this invention, with the target multiplet being the spectral peak 12β located in the crowded spectral region. Detailed Implementation

[0028] The specific embodiments of the present invention will be further described below with reference to a preferred embodiment and accompanying drawings. The sample used in the embodiment is an estradiol solution dissolved in deuterated dimethyl sulfoxide, with a sample concentration of 250 mM. The instrument used is a Varian 500 MHz nuclear magnetic resonance spectrometer.

[0029] In this embodiment, a superselective one-dimensional fully correlated nuclear magnetic resonance spectroscopy method without coupling splitting includes the following steps:

[0030] 1) Place the sample in the detection area of ​​the liquid NMR spectrometer. First, use the standard one-dimensional single-pulse sequence to acquire the sample in conventional one-dimensional NMR. 1 The H-spectrum is used to obtain information on the spectral width and magnetic field homogeneity of the sample, providing a reference for parameter setting in subsequent experiments. A one-dimensional single-pulse sequence consists of a non-selective hard pulse with a flip angle of π / 2 and a signal sampling period t. Then, a two-dimensional J-decomposition spectrum or a pure chemical shift spectrum of the test sample is acquired, and the chemical shift information of the target multiplet signal is obtained from the two-dimensional J-decomposition spectrum or the pure chemical shift spectrum. The two-dimensional J-decomposition spectrum sequence is composed of a spin echo module (t1 / 2-π-t1 / 2), and the PSYCHE pure chemical shift spectrum is composed of a homonuclear decoupling module (t1 / 2-PSYCHE-t1 / 2). Figure 1 To obtain the spectrum using a one-dimensional single-pulse sequence, the parameters of the standard one-dimensional single-pulse sequence for the estradiol sample used in this embodiment were set as follows: spectral width SW = 10000 Hz, flip angle π / 2, and non-selective hard pulse duration pw. 90 =10.6μs, signal sampling period t=1s.

[0031] 2) Construct pulse sequences of uncoupled, splitting, superselective one-dimensional fully correlated spectra according to the time sequence. The pulse sequence diagram is shown below. Figure 2 As shown, it includes, in sequence: a first non-selective hard pulse with a flip angle of π / 2, a GEMSTONE module, a one-dimensional fully correlated spectrum module, a PSYCHE pure chemical shift module, and an NMR signal sampling period t2;

[0032] The pulse combination in the GEMSTONE module consists of a co-acting spatial weak gradient G1 and a first chirp sweep pulse C1 with a flip angle of π, a first spatial gradient G2, a selective pulse with a flip angle of π, a second spatial gradient G2, a co-acting spatial weak gradient -G1, and a second chirp sweep pulse C2 with a flip angle of π. The frequency scanning directions of the first chirp sweep pulse C1 and the second chirp sweep pulse C2 are opposite, and the selective pulse with a flip angle of π is located in the center of the GEMSTONE module. Based on the chemical shift information of the target multipeak signal, the selective pulse with a flip angle of π in the GEMSTONE module is used to select the target multipeak signal. The action time τ1 of the first chirp sweep pulse C1 and the action time τ2 of the second chirp sweep pulse C2, as well as the sweep width bw1 of the first chirp sweep pulse C1 and the sweep width bw2 of the second chirp sweep pulse C2, are used to suppress interference signals at frequencies surrounding the target multipeak signal. In a preferred embodiment, the result of using only the GEMSTONE module to select the spectral peak 12β located in the crowded spectral region is as follows: Figure 3 As shown. The experimental parameters were set as follows: non-selective hard pulse application time pw with a flip angle of π / 2. 90 =10.6μs, in the GEMSTONE module, the center frequency of the selective pulse with a flip angle of π is set to the chemical shift of peak 12β read from the two-dimensional J-decomposition spectrum or pure chemical shift spectrum, the selective pulse with a flip angle of π is an rsnob-shaped selective pulse, and its duration τ s =18.5ms. The duration of the first chirp sweep pulse C1 in the GEMSTONE module is τ1 = 100ms, the duration of the second chirp sweep pulse C2 is τ2 = 100ms, the sweep width of the first chirp sweep pulse C1 is bw1 = 2500Hz, the sweep width of the second chirp sweep pulse C2 is bw2 = 2500Hz, the intensity of the spatial gradient G1 is Gs1 = 0.46G / cm, the spatial gradient G1 and the first chirp sweep pulse C1 work together, the intensity of the spatial gradient G2 is Gs2 = 22.53G / cm, the duration of the spatial gradient G2 is Gt2 = 2.5ms, the NMR signal sampling period is t2 = 1s, and the number of NMR signal accumulations is n. t =128. Thanks to the use of the GEMSTONE module, from Figure 1 The crowded spectral region caused by the mid-spectral peaks 16α, 12β, and 7β was selected to extract the target multipeak signal 12β, which is not affected by surrounding signals. Figure 3 As shown.

[0033] The one-dimensional fully correlated spectrum module consists of a zero-quantum filtering module and a mixing period module;

[0034] The pulse combination of the zero quantum filter module consists of a second non-selective hard pulse with a flip angle of π / 2, a co-acting spatial gradient G3, a third chirp sweep pulse C3 with a flip angle of π, a spatial gradient G4, a co-acting spatial gradient G5, a fourth chirp sweep pulse C4 with a flip angle of π, a spatial gradient G6, and a third non-selective hard pulse with a flip angle of π / 2; wherein the frequency scanning directions of the chirp sweep pulses C3 and C4 with a flip angle of π are the same.

[0035] The mixing period module is either a DIPSI2 module or an MLEV17 module, and is set between the spatial gradient G4 and the chirp sweep pulse C4;

[0036] The pulse combination of the PSYCHE pure chemical shift module consists of a first evolution time of t1 / 2, a first spatial gradient G7, a non-selective hard pulse with a flip angle of π, a second spatial gradient G7, a first spatial gradient G8, a pair of small-angle saltirechirp pulses with a flip angle of β acting together, and spatial gradients G9, G8, and a second evolution time of t1 / 2. Among them, a small-angle saltire pulse with a flip angle of β is generated by chirp pulses with opposite sweep directions, and t1 is the indirect dimension evolution time. As the indirect dimension evolution time t1 increases, NMR time-domain signals are acquired. Under the combined action of the non-selective hard pulse with a flip angle of π and a pair of small-angle saltirechirp pulses with a flip angle of β, the active nucleus flips 360 degrees, and the passive nucleus coupled with it flips 180 degrees. Under the action of the two evolution periods of t1 / 2, scalar coupling is removed. Figure 4 To obtain the broadband homonuclear decoupled spectrum of the estradiol sample in this example using only the PSYCHE pure chemical shift module, the experimental parameters were set as follows: non-selective hard pulse duration pw with a flip angle of π / 2. 90 =10.6μs, non-selective hard pulse duration pw with a flip angle of π 180 =21.2μs, the flip angle β of the small-angle saltirechirp pulse is 12°, and the duration τ of the small-angle saltirechirp pulse is... c =30ms, spectral width SW = 10000Hz, indirect dimension spectral width SW1 = 100Hz, indirect dimension t1 evolution number n i =40, NMR signal sampling period t2 = 0.4s, NMR signal accumulation count n t =1. Because the GEMSTONE module and the one-dimensional fully correlated spectrum module were not used, Figure 4 Crowded peaks still exist in the range of 1.0 ppm to 1.4 ppm, hindering the component analysis and structural determination of complex samples.

[0037] 3) Initialize the parameters in the pulse sequence, and based on the chemical shift information of the target multiplet signal, set the parameters of the selective pulse with a flip angle of π in the GEMSTONE module; thereby importing the initialized pulse sequence into the spectrometer, and sampling the uncoupled splitting superselective one-dimensional fully correlated NMR spectrum data generated by the pulse sequence. In a preferred embodiment, the obtained uncoupled splitting superselective one-dimensional TOCSY spectrum is as follows: Figure 5 As shown. The experimental parameters were set as follows: non-selective hard pulse application time pw with a flip angle of π / 2. 90 =10.6μs; In the GEMSTONE module, the center frequency of the selective pulse with a flip angle of π is set to the chemical shift of peak 12β read from the two-dimensional J-decomposition spectrum or pure chemical shift spectrum. The selective pulse with a flip angle of π is an rsnob-shaped selective pulse, and its duration τ s =18.5ms. The duration of the first chirp sweep pulse C1 in the GEMSTONE module is τ1 = 100ms, and the duration of the second chirp sweep pulse C2 is τs2 = 100ms. The sweep width of the first chirp sweep pulse C1 is bw1 = 2500Hz, and the sweep width of the second chirp sweep pulse C2 is bw2 = 2500Hz. The intensity of the spatial gradient G1 is Gs1 = 0.46G / cm. The spatial gradient G1 and the first chirp sweep pulse C1 work together, resulting in the intensity of the spatial gradient G2, Gs2 = 22.53G / cm, and the duration of the spatial gradient G2 is G... t2 =2.5ms; In the one-dimensional fully correlated spectrum module, the duration of the third chirp sweep pulse C3 is τ3 = 30ms, the intensity of spatial gradient G3 is Gs3 = 2.76G / cm, spatial gradient G3 and the third chirp sweep pulse C3 work together, the intensity of spatial gradient G4 is Gs4 = 6.57G / cm, the duration of spatial gradient G4 is Gt4 = 1.5ms, the duration of the DIPSI2 mixing period module is τm = 60ms, the intensity of spatial gradient G5 is Gs5 = 3.31G / cm, spatial gradient G5 and the fourth chirp sweep pulse C4 work together, the intensity of spatial gradient G6 is Gs6 = 4.69G / cm, the duration of spatial gradient G6 is Gt6 = 1.5ms; In the PSYCHE pure chemical shift module, the duration of the non-selective hard pulse with a flip angle of π is pw 180 =21.2μs, the intensity of spatial gradient G7 Gs7 = 15.02G / cm, the duration of spatial gradient G7 Gt7 = 1.5ms; the intensity of spatial gradient G8 Gs8 = 10.33G / cm, the duration of spatial gradient G8 Gt8 = 1.5ms; the flip angle β of the small-angle saltire chirp pulse β = 12°, the duration of the small-angle saltire chirp pulse τ c=30ms, the intensity of spatial gradient G9 Gs9 = 0.94G / cm, spatial gradient G9 interacts with small-angle saltire chirp pulses, spectral width SW = 5000Hz, indirect dimension spectral width SW1 = 50Hz, indirect dimension t1 evolution number n i =15, NMR signal sampling period t2 = 0.24s, NMR signal accumulation count n t =128.

[0038] After data acquisition, the data post-processing code is invoked to process the data, thereby obtaining the superselective 1D TOCSY spectrum after removing coupling splits. The data processing procedure is as follows: the indirect dimension spectral width is SW1, and the indirect dimension evolution number is n. i Each evolution has a different evolution time t1. The NMR data within the first 1 / SW1 time length of the sampling data obtained from each indirect dimensional evolution are sequentially spliced ​​into new NMR data, and a 1D FT transform is performed on the spliced ​​data to obtain the final superselective one-dimensional fully correlated spectrum after removing coupling splits. Figure 5 As shown, the crowded spectrum is simplified, and the coupling network information of the target multiple peaks located in the crowded region can be directly obtained from it, which is of great value for non-invasive analysis of the composition and molecular structure of complex sample systems.

[0039] In this embodiment, an electronic device includes a memory and a processor. The memory stores a program that supports the processor in executing the superselective one-dimensional fully correlated nuclear magnetic resonance spectroscopy method described above. The processor is configured to execute the program stored in the memory.

[0040] In this embodiment, a computer-readable storage medium stores a computer program that, when executed by a processor, performs the steps of the superselective one-dimensional fully correlated nuclear magnetic resonance spectroscopy method described above.

Claims

1. A superselective one-dimensional fully correlated nuclear magnetic resonance spectroscopy method without coupling splitting, characterized in that, Includes the following steps: 1) Collect the two-dimensional J decomposition spectrum or pure chemical shift spectrum of the test sample, and obtain the chemical shift information of the target multiple peak signal from the two-dimensional J decomposition spectrum or pure chemical shift spectrum; 2) Construct a pulse sequence of uncoupled splitting superselective one-dimensional total correlation spectrum according to time sequence, which includes: the first nonselective hard pulse with a flip angle of π / 2, the GEMSTONE module, the one-dimensional total correlation spectrum module, the PSYCHE pure chemical shift module, and the NMR signal sampling period t2; The pulse combination in the GEMSTONE module consists of a co-acting spatial weak gradient G1 and a first chirp sweep pulse C1 with a flip angle of π, a first spatial gradient G2, a selective pulse with a flip angle of π, a second spatial gradient G2, a co-acting spatial weak gradient G1, and a second chirp sweep pulse C2 with a flip angle of π; wherein, the frequency scanning directions of the first chirp sweep pulse C1 and the second chirp sweep pulse C2 are opposite, and the selective pulse with a flip angle of π is located at the exact center of the GEMSTONE module; The one-dimensional fully correlated spectrum module consists of a zero quantum filtering module and a mixing period module; The pulse combination of the zero quantum filter module consists of a second non-selective hard pulse with a flip angle of π / 2, a co-acting spatial gradient G3, a third chirp sweep pulse C3 with a flip angle of π, a spatial gradient G4, a co-acting spatial gradient G5, a fourth chirp sweep pulse C4 with a flip angle of π, a spatial gradient G6, and a third non-selective hard pulse with a flip angle of π / 2; wherein the frequency scanning directions of the chirp sweep pulses C3 and C4 with a flip angle of π are the same. The mixing period module is either a DIPSI2 module or an MLEV17 module, and is positioned between the spatial gradient G4 and the chirp sweep pulse C4; The pulse combination of the PSYCHE pure chemical shift module consists of a first evolution time of t1 / 2, a first spatial gradient G7, a non-selective hard pulse with a flip angle of π, a second spatial gradient G7, a pair of small-angle saltire chirp pulses with a flip angle of β acting together with the first spatial gradient G8, and spatial gradients G9, G8, and t1 / 2; wherein, a small-angle saltire pulse with a flip angle of β is generated by chirp pulses with opposite sweep directions, and t1 is the indirect dimensional evolution time; 3) Initialize each parameter in the pulse sequence, and set the parameters of the selective pulse with a flip angle of π in the GEMSTONE module according to the chemical shift information of the target multiplet signal; thereby importing the initialized pulse sequence into the spectrometer and sampling the uncoupled splitting superselective one-dimensional fully correlated nuclear magnetic resonance spectrum data generated by the pulse sequence; Based on the chemical shift information of the target multipeak signal, the target multipeak signal is selected using a selective pulse with a flip angle of π in the GEMSTONE module. The duration τ1 of the first chirp sweep pulse C1 and the duration τ2 of the second chirp sweep pulse C2 in the GEMSTONE module, as well as the sweep width bw1 of the first chirp sweep pulse C1 and the sweep width bw2 of the second chirp sweep pulse C2, are used to suppress interference signals at frequencies surrounding the target multipeak signal.

2. An electronic device, comprising a memory and a processor, characterized in that, The memory is used to store a program that supports the processor in executing the superselective one-dimensional fully correlated nuclear magnetic resonance spectroscopy method of claim 1, and the processor is configured to execute the program stored in the memory.

3. A computer-readable storage medium storing a computer program, characterized in that, The computer program, when executed by the processor, performs the steps of the superselective one-dimensional fully correlated nuclear magnetic resonance spectroscopy method of claim 1.

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