阅读说明：本技术 一种核磁共振的方法及装置 (Method and device for nuclear magnetic resonance ) 是由 王彤彤 王敏 刘权辉 周剑 杨梦瑞 于 2021-09-17 设计创作，主要内容包括：本申请提供一种核磁共振的方法及装置,该方法通过利用～(1)H-～(77)SeqHMBC脉冲序列对有机硒化合物进行定量检测,包括：极化转移阶段：通过极化转移方式将～(1)H单量子信号转化为～(77)Se多量子信号；演化阶段：通过演化方式,产生～(77)Se谱图,获取～(1)H和～(77)Se信号的耦合关系,并抑止所述有机物中同核原子间的演化；反极化转移阶段：通过反极化转移方式将所述～(77)Se多量子信号转化为所述～(1)H单量子信号；以及定量求值阶段：完成所述有机硒化合物的定量数据求值。采用本申请所提供的方法和装置可实现信号选择范围广,分辨率高,实验过程中消耗的溶剂少,耗材少以及定量准确的效果。(The application provides a method and a device for nuclear magnetic resonance, and the method utilizes 1 H‑ 77 The quantitative detection of the organic selenium compound by the SeqHMBC pulse sequence comprises the following steps: and (3) polarization transfer stage: by means of polarization transfer 1 H single quantum signal conversion 77 Se multi-quantum signals; and (3) an evolution stage: by means of evolution, produce 77 Se spectrogram, obtaining 1 H and 77 the coupling relation of Se signals and the inhibition of the evolution among homonuclear atoms in the organic matter; and (3) reverse polarization transfer stage: by means of reverse polarization transfer 77 Se multi-quantum signal is converted into 1 H single quantum signal; and a quantitative evaluation phase: and completing quantitative data evaluation of the organic selenium compound. By adopting the method and the device provided by the application, the effects of wide signal selection range, high resolution, less solvent consumed in the experimental process, less material consumption and accurate quantification can be realized.)

1. A method of nuclear magnetic resonance, characterized by using¹H-⁷⁷The Se qHMBC pulse sequence is used for quantitatively detecting the organic selenium compound, and the method comprises the following steps:

and (3) polarization transfer stage: by means of polarization transfer¹H single quantum signal conversion⁷⁷Se multi-quantum signals;

and (3) an evolution stage: by means of evolution, obtaining¹H and⁷⁷coupling relation of Se signals and restraining evolution among homonuclear atoms of the organic matter;

and (3) reverse polarization transfer stage: by means of reverse polarization transfer⁷⁷Se multi-quantum signal is converted into¹H single quantum signal; and

and (3) quantitative evaluation stage: and completing quantitative data evaluation of the organic selenium compound.

2. The method of claim 1, wherein the polarization transfer is performed by polarization transfer¹H single quantum signal conversion⁷⁷Se multi-quantum signals comprising:

polarization transfer is realized through a remote coupling mode;

wherein the content of the first and second substances,¹the first excitation pulse of the H signal is a 90-degree rectangular pulse;

wherein the first one is⁷⁷A 90 ° pulse of Se enables the use of a 90 ° selective excitation pulse.

3. The method according to claim 2, characterized in that in the remote coupling mode, the time interval of remote coupling evolution is 0.5 to 0.02 s.

4. The method of claim 2, wherein the selective pulsing sets the frequency by selecting a wide spectral width; and the selected pulse is any selective pulse that can achieve a 90 flip effect.

5. The method of claim 1, wherein the step of subjecting the sample to reverse polarization transfer is performed by means of reverse polarization transfer⁷⁷Se multi-quantum signal conversion¹H, comprising:

using only rectangular pulses in the reverse polarization phase⁷⁷Conversion of multiple quantum signals of Se¹H, single quantum signal.

6. The method of claim 1, wherein said transferring is by reverse polarization transfer⁷⁷Se multi-quantum signal is converted into¹H, comprising:

will be described in⁷⁷Se multi-quantum signal is directly converted into¹H, single quantum signal.

7. The method of claim 1, wherein the generating is by an evolutionary method⁷⁷Se spectrogram, obtaining¹H and⁷⁷coupling of Se signals and inhibition of evolution between homonuclear atoms in the material, including:

let⁷⁷Se channel multi-quantum signal evolution generation energy¹H and⁷⁷a two-dimensional spectrogram of a remote coupling relationship between Se;

and adopting a constant time evolution method to inhibit the evolution between homonuclear atoms in the substance.

8. The method of claim 1, wherein said applying is performed at said point¹H-channel completes quantitative data evaluation of organoselenium compounds, including:

and (3) completing quantitative data evaluation of the organic selenium compound by a sampling mode.

9. The method according to any one of claims 1 to 8, wherein,

polarization transfer includes a gradient field, which is denoted as GPZ 1;

the evolution stage includes a gradient field, represented as GPZ 2;

the reverse polarisation phase comprises a gradient field, which is denoted GPZ 3;

the amplitude proportions of the three gradient fields are: GPZ1, GPZ2, GPZ3 70.00: 30.00: 59.07.

10. an apparatus for nuclear magnetic resonance for quantification¹H-⁷⁷Detection of Se qHMBC pulse sequences, characterized in that said device comprises:

a polarization transfer module for transferring¹Single quantum signal conversion of H⁷⁷Multiple quantum signals of Se;

evolution module for generating⁷⁷Se map, acquisition¹H and⁷⁷the coupling relation of Se signals and the inhibition of the evolution between the same atomic nuclei in the organic matter;

reverse polarization transfer module for⁷⁷Conversion of multiple quantum signals of Se¹H, a single quantum signal; and

a quantitative evaluation module: used for completing the quantification of the organic selenium compound.

11. An electronic device, comprising: a processor and a memory, the memory storing machine-readable instructions executable by the processor, the machine-readable instructions, when executed by the processor, performing the method of any of claims 1 to 9.

12. A storage medium, characterized in that the storage medium has stored thereon a computer program which, when executed by a processor, performs the method according to any one of claims 1 to 9.

Technical Field

The application relates to the field of nuclear magnetic resonance, in particular to a method and a device for quantifying an organic selenium compound by a nuclear magnetic resonance method.

Background

The quantitative research of small organic molecules under the condition of complex matrix is a research hotspot and difficulty in the field of organic analysis. The concrete points are as follows: in the agricultural field, attention is paid to the nature (qualitative studies) and content (quantitative studies) of nutritional and characteristic substances in agricultural products and foods; in the fields of chemistry and materials, attention is paid to the law of change of compounds in the reaction process (research on reaction mechanism); in the biological and medical fields, attention is paid to the metabolic laws of drug metabolites (metabolic studies) and the effects on metabolites (metabolome studies). Compared with conventional separation means such as liquid phase, gas phase and capillary electrophoresis, the quantitative nuclear magnetic resonance method has obvious advantages, and has the advantages of simple pretreatment, less solvent and material consumption in the whole process, abundant signals for quantification and the like. However, conventional quantitative hydrogen spectra suffer from a limited spectral width of only 20ppm, and separation of the hydrogen spectrum signals is very difficult, especially for those saturated hydrocarbons. In recent years, although the application of the deconvolution technology relieves the influence of signal overlapping, the quantitative error is more than 10%, and the method has a small application prospect. In the field of analysis of organic matters, the organic matters are quantified quickly, and great convenience can be provided for further research of various properties of the organic matters.

Hmbc (heterocyclic multiple bond correlation) spectra in nuclear magnetic resonance are often used for qualitative studies of organic compounds using the coupling relationship between hydrogen and carbon as a spectrum useful for describing the remote coupling relationship between high-sensitivity nuclei and low-sensitivity nuclei. In the aspect of quantitative research on organic matters, the signal frequencies of hydrogen elements and carbon elements are easily overlapped with those of other elements, so that the organic matters are difficult to be quantitatively analyzed with high accuracy by utilizing the coupling relation of the two elements.

Disclosure of Invention

An object of the embodiments of the present application is to provide a method and an apparatus for quantifying an organic selenium compound by a nuclear magnetic resonance method, so as to solve the problem of quantifying an organic substance in the prior artAnd (5) problems are solved.⁷⁷Se is used as a rare-core quantum, the frequency range of Se is large, and the distribution range of organic selenium is-50-350 ppm, so that the Se is utilized¹H and⁷⁷the coupling relation among Se can be used for carrying out quantitative analysis research with high precision, and the scheme provides a method by utilizing the property, so that the defects in the technology are overcome.

In a first aspect, the present examples identify a method for quantifying organoselenium compounds by nuclear magnetic resonance.

The embodiment of the application provides a nuclear magnetic resonance method, which utilizes¹H-⁷⁷The Se qHMBC pulse sequence is used for quantitatively detecting the organic selenium compound and comprises the following steps: and (3) polarization transfer stage: by means of polarization transfer¹Single quantum signal conversion of H⁷⁷Se multi-quantum signals; and (3) an evolution stage: by means of evolution, obtaining¹H and⁷⁷the coupling relation of Se signals and the inhibition of the evolution among homonuclear atoms in the organic matter; and (3) reverse polarization transfer stage: by means of reverse polarization transfer⁷⁷Se multi-quantum signal is converted into¹H single quantum signal; and a quantitative evaluation phase: and completing quantitative data evaluation of the organic selenium compound.

In the embodiment of the application, the implementation process of the method is divided into four stages, wherein the first stage is¹H single quantum signal to⁷⁷The second stage of the process of multiple quantum signal transfer of Se is⁷⁷The Se signal evolves to form an embodiment by establishing an indirect dimension through evolution⁷⁷Se signal and¹a map of the remote coupling relationship between the H signals. The third stage is to obtain the coupling relation between two element signals in the last stage and then to obtain multiple quantum signals⁷⁷Se transfer to¹Single quantum signal of H channel. The quantitative evaluation stage of the fourth stage comprises a sampling stage, and the effects of wide signal selection range, high resolution, less solvent consumed in the experimental process, less consumable materials and accurate quantification are finally achieved after the four stages are carried out in the stage for finally realizing the quantitative evaluation of the organic selenium compound.

Further, the tubeThe mode of hyperpolarization transfer will¹H single quantum signal conversion⁷⁷Se multi-quantum signals comprising: polarization transfer is realized through a remote coupling mode; wherein the content of the first and second substances,¹the first excitation pulse of the H channel is a 90-degree rectangular pulse; wherein the first one is⁷⁷A 90 ° pulse of Se enables the use of a 90 ° selective excitation pulse.

The embodiment of the application takes a remote coupling mode as a carrier and is used for transmitting the data¹Single quantum signal conversion of H⁷⁷Multiple quantum signals of Se, remotely coupled, are used herein as a way to implement the present embodiment. At the same time, a 90 ° excitation pulse is given to start the polarization transfer process.

Further, in the remote coupling mode, the time interval of remote coupling evolution is specifically 0.5 to 0.02 s.

In the embodiment of the present application, the time interval for the remote coupling is set to 0.5 to 0.02s, which is set according to the characteristics of the two-key and three-key coupling, and in this embodiment, the remote coupling is applied to the two-key or three-key, so that the polarization transfer effect is the best. Accordingly, when the time interval is set to 0.5 to 0.02s, the distribution range of the remote coupling reaches 2 to 50Hz, and the distribution range of the time interval is the reciprocal of the remote coupling time.

Further, when the selective pulse sets the frequency, a wide spectrum width is selected; and the selected pulse is any selective pulse that can achieve a 90 flip effect.

In the embodiment of the present application, the frequency of the selective pulse is set by selecting a wide spectral width, generally in the range of 300ppm, so that the resolution of the signal can be improved and can be easily obtained⁷⁷Se signal, while other uncorrelated signals are filtered out. In addition, the excitation pulse type selected here only needs to realize the effect of 90-degree overturning, so that more types of pulses capable of realizing 90-degree overturning can be selected.

Further, the over-evolution method, generating⁷⁷Se spectrogram, obtaining¹H and⁷⁷coupling of Se signals and suppression of evolution between homonuclear atoms in the material, including: let⁷⁷Multiple quantum signal of SeEvolution of energy¹H and⁷⁷spectrogram of remote coupling relationship between Se; and adopting a constant time evolution method to inhibit the evolution between homonuclear atoms in the substance.

In the embodiment of the present application, the main purpose of the evolution is to let⁷⁷The Se signal evolves to establish an indirect dimension. The planned transfer phase is from¹Single quantum signal of H to⁷⁷Conversion of multiple quantum signals of Se, the evolution here being mainly⁷⁷The nature of the Se signal itself changes.

Further, the method is to transfer the polarization by means of reverse polarization⁷⁷Reconversion of Se multi-quantum signals¹H, comprising: using only rectangular pulses in the reverse polarization phase⁷⁷Conversion of multiple quantum signals of Se¹H, single quantum signal.

In the embodiment of the application, the reverse polarization has the effect of⁷Multiple quantum signal transfer of Se¹H, due to the fact that¹The H signal sensitivity is high, and signal sampling is more convenient. Unlike polarization transfer, the pulses used here must be rectangular pulses, not other pulses that can produce a 90 ° flip effect, in order to convert the multiple quantum signals produced in the evolution stage into single quantum signals.

Further, the method comprises the step of transferring the polarization by means of reverse polarization transfer⁷⁷Multiple quantum signals of Se are converted into¹H, comprising: will be described in⁷⁷Multiple quantum signals of Se are directly converted into¹H, single quantum signal.

In the embodiment of the application, the direct detection of the signal in the reverse polarization stage means that no redundant time interval is added, and the reverse phase single-quantum signal is not converted into the in-phase single-quantum signal. The problem of signal attenuation is considered here, and in the prior art, use is made of¹H and¹³c, the qualitative research is carried out, and the requirement of the qualitative process on the sensitivity is low, so that the signal attenuation in a long time interval does not need to be considered, and in the scheme, the quantitative description is adopted, so that the quantitative analysis method is adoptedThe requirement on the sensitivity is high, and no redundant time interval is added in the stage, so that the attenuation of the signal in a long time interval is reduced. In a similar way, a long time interval is needed for converting the phase-reversed signal into the single-quantum signal, and the signal is attenuated in the process, so that the phase-reversed signal is not converted into the in-phase single-quantum signal in the implementation of the scheme, and the effect of improving the result accuracy is achieved.

Further, the completing the quantitative data evaluation of the organoselenium compound comprises: and (3) completing quantitative data evaluation of the organic selenium compound by a sampling mode.

In the embodiment of the present application, since the inverse single-quantum signal is not converted into the in-phase single-quantum signal in the inverse polarization phase for the purpose of reducing signal attenuation, in the sampling phase, if the two signals are in the same phase⁷⁷The Se signal adopts decoupling pulses, and because the signals obtained in the previous stage are in opposite phase, the decoupling pulses can offset the positive and negative values of the opposite phase signals, and finally the signals are lost, so that the sampling result is difficult to obtain.

Further, polarization transfer includes gradient fields, which are denoted as GPZ 1; the evolution stage includes a gradient field, represented as GPZ 2; the reverse polarisation phase comprises a gradient field, which is denoted GPZ 3; the amplitude proportions of the three gradient fields are: GPZ1, GPZ2, GPZ3 70.00: 30.00: 59.07.

in the embodiment of the present application, the gradient field is used as a magnetic field, and the function of the gradient field is to split and reunite signals, so as to improve the resolution and sensitivity of the signals.

In a second aspect, the embodiments of the present application provide a quantification¹H-⁷⁷Se qHMBC pulse sequence detection device comprises: the device completes the quantification of the organic selenium compound according to the phase sequence of polarization transfer, constant time evolution, reverse polarization transfer and quantitative evaluation; the quantitative process of the device is performed according to the method provided in the first aspect of the application.

In a third aspect, an embodiment of the present application provides an electronic device, including: the system comprises a processor, a memory and a bus, wherein the processor and the memory are communicated with each other through the bus; the memory stores program instructions executable by the processor, the processor being capable of performing the method of the first aspect when invoked by the program instructions.

In a fourth aspect, an embodiment of the present application provides a non-transitory computer-readable storage medium, including: the non-transitory computer readable storage medium stores computer instructions that cause the computer to perform the method of the first aspect.

Additional features and advantages of the present application will be set forth in the description which follows, and in part will be obvious from the description, or may be learned by the practice of the embodiments of the present application. The objectives and other advantages of the application may be realized and attained by the structure particularly pointed out in the written description and claims hereof as well as the appended drawings.

Drawings

In order to more clearly illustrate the technical solutions of the embodiments of the present application, the drawings that are required to be used in the embodiments of the present application will be briefly described below, it should be understood that the following drawings only illustrate some embodiments of the present application and therefore should not be considered as limiting the scope, and that those skilled in the art can also obtain other related drawings based on the drawings without inventive efforts.

FIG. 1 is a schematic flow chart of various stages in an embodiment of the present application;

FIG. 2 is a pulse train layout of the present application;

FIG. 3 is a schematic view of an NMR apparatus of the present application;

fig. 4 is a schematic structural diagram of an electronic device according to an embodiment of the present disclosure.

Detailed Description

The technical solutions in the embodiments of the present application will be described below with reference to the drawings in the embodiments of the present application.

The method can be applied to organic micromolecules under the condition of complex matrixThe quantitative research of the molecules, the quantitative two-dimensional nuclear magnetic method can solve the problem of signal overlapping in the quantitative detection of the small organic molecules under the complex matrix strips.¹H-⁷⁷The SeqHMBC spectrum can convert one-dimensional hydrogen signals into two-dimensional signals on a two-dimensional plane, and the distribution range of the indirect-dimensional signals follows⁷⁷The signal distribution range of Se is correspondingly enlarged, and the problem of spectral peak overlapping in the hydrogen spectrum of nuclear magnetic resonance is effectively relieved. In the embodiment, a corresponding solution is provided on the influence factor that sensitivity is reduced due to a relaxation effect (belonging to relaxation refers to a process of gradually returning from a certain state to an equilibrium state in a certain gradual physical process, in a high-energy physical process, after atomic nuclei generate magnetic resonance under the action of an external radio frequency pulse RF (B1) to reach a stable high-energy state, the whole process is called a relaxation process, namely a process of returning to a physical state from the disappearance of the external radio frequency to the recovery of the magnetic moment state before the magnetic resonance occurs) and a longer pulse sequence, and a novel pulse sequence is developed.

Fig. 1 is a schematic flow chart of each stage in the embodiment of the present application, and as shown in fig. 1, the method includes:

step 101: and (3) polarization transfer stage: by means of polarization transfer¹H single quantum signal conversion⁷⁷Se multiple quantum signals.

In the specific implementation of step 101, this stage achieves magnetization secondary nucleation by using an excitation pulse to cause polarization transfer to be performed¹Single quantum signal of H to rare nucleus⁷⁷Conversion between multiple quantum signals of Se, wherein nucleus abundance and nucleus rarity refer to the rarity degree of corresponding isotopes in nature, the isotopes which are rarer in nature are called nucleus rarity, and the isotopes which are abundant in nature are called nucleus abundance signals¹H single quantum signal conversion⁷⁷Se multiple quantum signals. The phase starts to carry out polarization transfer under the action of the excitation pulse, and when the phase is finished, the single quantum signal is transferred to⁷⁷Multiple quantum signal of Se.

Step 102: an evolution stage for obtaining the data by an evolution mode¹H and⁷⁷coupling relation of Se signal and inhibiting evolution between homonuclear atoms in the organic matter。

In a particular implementation, when the signal is concentrated in⁷⁷After Se, an indirect dimension is established to generate an energy embodiment¹H and⁷⁷two-dimensional map of remote coupling relationship between Se. In the polarization transfer stage, only the signal is concentrated to⁷⁷Se, evolution stage is⁷⁷Change in the nature of the Se signal itself.

Step 103: a reverse polarization stage, in which the polarization is transferred by reverse polarization⁷⁷Multiple quantum signals of Se are converted into¹H single quantum signal.

In specific implementation, the magnetization is realized from the diluted nucleus by polarization transfer in the stage⁷⁷Multiple quantum of Se to nucleus¹The conversion between inverted single quanta of H, which can be understood as the signal vibration frequency of a quantum, is determined by⁷⁷Conversion of Se frequency to¹The frequency of H. Only at⁷⁷The Se multi-quantum signal is added with 90-degree pulses, so that the effect of reverse polarization is achieved.

Step 104: and a quantitative evaluation stage for finishing the quantitative data evaluation of the organic selenium compound.

In a specific implementation process, the stage utilizes the polarization transfer, evolution and reverse polarization transfer obtained in the steps¹H and⁷⁷and the remote coupling relation among Se samples the reversed phase single quantum signal to complete the quantification of the organic selenium compound.

In the above step 101, the excitation pulse is used, the purpose of which is to achieve the effect of a 90 ° flip, and therefore in the first place⁷⁷Se 90 pulse implementation, as long as selective excitation pulses capable of 90 ° inversion are used, possibly with combined pulses and adiabatic pulses (combined pulses refer to a system that provides several different encoded signals with a given pulse or tone, the encoding determining factor being two or more pulse counts, and the classification of adiabatic and non-adiabatic pulses being divided according to the uniform nature of the rf pulses), including: eburp2, G4, Gauss1-90, Pc9-4-90, Q5, reduce, Sinc1, Squa100, squaramp.20.

Also in the above step 101, the signal is transmitted¹H single amountConversion of subsignals into⁷⁷The mode utilized by the process of the Se channel can adopt a remote coupling mode, and the scheme¹H atom and⁷⁷the characteristics of Se atoms, here the remote coupling time, are adapted to the coupling constants of the two-bond and three-bond, so that the time interval is set up here to be 0.5-0.02s, and accordingly, the distribution range of remote coupling is the reciprocal of the remote coupling time interval, so that the distribution range of remote coupling is set to be 2-50 Hz.

In step 102, a constant time evolution method may be used during the evolution to suppress the homonuclear evolution in the indirect dimension, which refers to the evolution between homonuclear atoms, such as between H-H and Se-Se.

In the above step 103, it should be noted that in the implementation of the step, no extra time interval is added, but an extremely short time interval is used, because in the prior art, HMBC is used for qualitative analysis by using the coupling relationship between H and C, and in this process, the requirement for the time interval is not made because the requirement for sensitivity is low in the qualitative study. In this embodiment, quantitative studies are performed, and considering the sensitivity requirement of the signal at a low concentration, an extremely short time interval is used, thereby eliminating the influence of signal attenuation in a long time interval. In a similar way, because the attenuation of the signal can occur in the process of converting the anti-phase single quantum signal into the in-phase single quantum, the anti-phase single quantum signal is not converted into the in-phase single quantum signal in the anti-polarization stage, so that the effect of improving the measurement sensitivity of the scheme is achieved.

In step 104, since the inverted single quantum signal is not converted in step 103, a non-decoupling pulse signal is selected to prevent the decoupling pulse from offsetting the positive and negative of the inverted single quantum signal, so that the signal is lost after being cancelled.

In the process of step 101-103, namely, the polarization transfer stage, the evolution stage and the inverse polarization transfer stage, each stage needs to add a gradient field, the gradient field has the function of dispersing and then reuniting signals in organic matters, and the method is used for suppressing noise signals, so that the signal resolution and sensitivity are improved. In the scheme, the gradient proportion capable of achieving the best effect of signal selection is set as GPZ1, GPZ2, GPZ3 being 70.00: 30.00: 59.07, wherein GPZ1 represents the gradient field of the polarization transfer phase, GPZ2 represents the gradient field of the evolution phase, and GPZ3 represents the gradient field of the depolarization phase.

Fig. 2 is a pulse sequence design diagram of the scheme:

wherein, T_ctIs the time interval adopted in the constant time evolution stage, d₀Is an increasing time interval, time interval T_ctTime domain points multiplied by increasing time interval, G₁,G₂,G₃Respectively corresponding to the gradient field of the polarization transfer stage, the gradient field of the evolution stage and the gradient field of the anti-polarization stage. The concept of the gradient field is popular knowledge in the field of nuclear magnetic resonance, and in the scheme, the proportion of the three gradients is set as follows: g₁:G₂:G₃70.00: 30.00: 59.07 under the proportion setting, can play the effect of suppressing noise signals and improving sensitivity, and the source of the noise mainly refers to the thermal noise in the instrument.

In FIG. 2, first, the process is carried out¹The H signal emits an excitation pulse, which is a 90 ° rectangular pulse 201, under the excitation of which a single quantum signal (not shown) is generated. Then is on⁷⁷The Se channel gives an excitation pulse 203, here a selective pulse of 90 °, comprising: eburp2, G4, Gauss1-90, Pc9-4-90, Q5, reduce, Sinc1, Squa100, squaramp.20. Under the action of the excitation pulse 203, a multi-quantum signal (not shown) is generated, which then enters the evolution stage. Wherein T is shown in FIG. 2_ct-d₀It is understood that a constantly changing buffer time is a dependent variable whose independent variable is d₀，T_ct-d₀Can be regarded as pair d₀And the variable buffering ensures that the total time of the whole evolution process is a constant value. In the course of the evolution process,¹the H signal will have a second excitation pulse that is a 180 rectangularPulse 205, then 2d after evolution starts₀At time 210 of⁷⁷The Se signal uses the next excitation pulse 207, which is a 90 rectangular pulse, and under the influence of pulse 207, an inverse polarization occurs, producing an inverse single quantum signal (not shown). The line graph 220 after the evolution stage of fig. 2 reflects the process of signal sampling.

Referring to fig. 3, fig. 3 is a schematic structural diagram of a nuclear magnetic resonance apparatus 300 according to an embodiment of the present application; the apparatus 300 may be a module, a program segment, or code on an electronic device. It should be understood that the apparatus 300 corresponds to the above-mentioned embodiment of the method of fig. 1, and is capable of performing the steps related to the embodiment of the method of fig. 1, and the specific functions of the apparatus 300 can be referred to the description of the related embodiments above in this application, and are appropriately omitted here to avoid repetition.

The nuclear magnetic resonance apparatus 300 comprises a polarization transfer module 301 for transferring polarization¹H single quantum signal conversion⁷⁷Multiple quantum signals of the Se signal; under the specific action process of the module 301, the magnetization secondary nucleus is realized¹Single quantum signal of H to rare nucleus⁷⁷Conversion between multiple quantum signals of Se, signals from¹H single quantum signal conversion⁷⁷Se multiple quantum signals.

An evolution module 302 for obtaining¹H and⁷⁷the coupling relation of Se signals and the inhibition of the evolution between homonuclear atoms in the organic matter. Module 302 concentrates the signal into⁷⁷After Se multi-quantum signal, let⁷⁷Se evolves to establish an indirect dimension, and the evolution can be generated¹H and⁷⁷two-dimensional map of remote coupling relationship between Se. Polarization transfer device only concentrates signals to⁷⁷Se channel, the evolution device is⁷⁷The Se signal itself changes in properties.

A reverse polarization transfer module 303 for transferring⁷⁷Conversion of multiple quantum signals of Se¹H, single quantum signal. Module 303 effects polarization transfer to effect magnetization from the dilute core⁷⁷Multiple quantum of Se to nucleus¹Conversion between inverted single quanta of H, so that the signal vibration frequency of quanta is controlled by⁷⁷Conversion of Se frequency to¹The frequency of H. The module 303 is only on⁷⁷The Se channel is added with 90-degree pulses, so that the effect of reverse polarization is achieved.

A quantitative evaluation module 304 for¹The H channel completes the quantification of the organoselenium compound. Module 304 is obtained by polarization transfer, evolution, and reverse polarization transfer in the above-described module¹H and⁷⁷and the coupling relation among Se samples the reversed phase single quantum signal to complete the quantification of the organic selenium compound.

Optionally, in an embodiment of the present application, the polarization transfer module includes:

and the coupling module realizes polarization transfer in a remote coupling mode.

¹An H signal excitation pulse module for¹The H single-quantum signal generates a 90 ° rectangular excitation pulse.

⁷⁷A Se signal excitation pulse module for⁷⁷The Se multiple quantum signal generates a 90 DEG selective excitation pulse.

The coupling module is also used to provide a time interval of 0.5-0.02 and a distribution range of 2-50Hz when coupling remotely.

Optionally, in an embodiment of the present application, the evolution module includes:

map generation module for controlling⁷⁷Se multiple quantum signals evolve from one point to generate a spectrogram.

And the homonuclear evolution inhibiting module is used for inhibiting homonuclear evolution of the evolution stage.

Optionally, in an embodiment of the present application, the reverse polarization transfer module includes:

⁷⁷se channel excitation pulse module for use in⁷⁷The Se multi-quantum signal generates a 90-degree rectangular excitation pulse, and reverse polarization is generated to generate a reverse phase single quantum signal.

And the signal attenuation suppression module is used for preventing the signal from being attenuated in a long time interval.

Optionally, in an embodiment of the present application, the quantitative evaluation module includes:

and the sampling module is used for collecting the inverted single-quantum signal to evaluate.

Optionally, in the stages corresponding to the module 301-containing phase 303, that is, the polarization transfer stage, the evolution stage, and the inverse polarization transfer stage, a gradient field needs to be added in each stage, where the gradient field has an effect of dispersing and then re-aggregating signals in the organic matter, so as to improve the resolution and sensitivity of the signals. In the device, the gradient proportion capable of achieving the best effect of signal selection is set as that GPZ1, GPZ2, GPZ3 is 70.00: 30.00: 59.07, wherein GPZ1 represents the gradient field of the polarization transfer phase, GPZ2 represents the gradient field of the evolution phase, and GPZ3 represents the gradient field of the depolarization phase.

It should be understood that the apparatus corresponds to the above-mentioned embodiment of the nuclear magnetic resonance method, and can perform the steps related to the above-mentioned embodiment of the method, and the specific functions of the apparatus can be referred to the above description, and the detailed description is appropriately omitted here to avoid redundancy. The device includes at least one software function that can be stored in memory in the form of software or firmware (firmware) or solidified in the Operating System (OS) of the device.

Referring to fig. 4, fig. 4 is a schematic structural diagram of an electronic device according to an embodiment of the present application.

An electronic device 400 provided in an embodiment of the present application includes: a processor 401 and a memory 402, the memory 402 storing machine-readable instructions executable by the processor 401, the machine-readable instructions when executed by the processor 401 performing the method as above.

The embodiment of the application also provides a storage medium, wherein the storage medium is stored with a computer program, and the computer program is executed by a processor to execute the method.

The storage medium may be implemented by any type of volatile or nonvolatile storage device or combination thereof, such as a Static Random Access Memory (SRAM), an Electrically Erasable Programmable Read-Only Memory (EEPROM), an Erasable Programmable Read-Only Memory (EPROM), a Programmable Read-Only Memory (PROM), a Read-Only Memory (ROM), a magnetic Memory, a flash Memory, a magnetic disk, or an optical disk. In the embodiments provided in the present application, it should be understood that the disclosed apparatus and method may be implemented in other ways. The apparatus embodiments described above are merely illustrative, and for example, the flowchart and block diagrams in the figures illustrate the architecture, functionality, and operation of possible implementations of apparatus, methods and computer program products according to various embodiments of the present application. In this regard, each block in the flowchart or block diagrams may represent a module, segment, or portion of code, which comprises one or more executable instructions for implementing the specified logical function(s). It should also be noted that, in some alternative implementations, the functions noted in the block may occur out of the order noted in the figures. For example, two blocks shown in succession may, in fact, be executed substantially concurrently, or the blocks may sometimes be executed in the reverse order, depending upon the functionality involved. It will also be noted that each block of the block diagrams and/or flowchart illustration, and combinations of blocks in the block diagrams and/or flowchart illustration, can be implemented by special purpose hardware-based systems which perform the specified functions or acts, or combinations of special purpose hardware and computer instructions.

In addition, functional modules of the embodiments in the present application may be integrated together to form an independent part, or each module may exist separately, or two or more modules may be integrated to form an independent part.

In this document, relational terms such as first and second, and the like may be used solely to distinguish one entity or action from another entity or action without necessarily requiring or implying any actual such relationship or order between such entities or actions.

The above description is only an example of the present application and is not intended to limit the scope of the present application, and various modifications and changes may be made by those skilled in the art. Any modification, equivalent replacement, improvement and the like made within the spirit and principle of the present application shall be included in the protection scope of the present application.