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42 results about "J-coupling" patented technology

In nuclear chemistry and nuclear physics, Scalar or J-couplings (also called indirect dipole–dipole coupling) are mediated through chemical bonds connecting two spins. It is an indirect interaction between two nuclear spins which arises from hyperfine interactions between the nuclei and local electrons. In NMR spectroscopy J-coupling contains information about relative bond distances and angles. Most importantly, J-coupling provides information on the connectivity of chemical bonds. It is responsible for the often complex splitting of resonance lines in the NMR spectra of fairly simple molecules.

Method for obtaining nuclear magnetic resonance two-dimensional phase-sensitive J spectrum

The invention relates to a method for obtaining a nuclear magnetic resonance two-dimensional phase-sensitive J spectrum. The method comprises the following steps: putting a to-be-tested sample into a nuclear magnetic tube and conveying the nuclear magnetic tube loaded with the to-be-tested sample into a detection chamber of a magnetic resonance spectrometer; invoking a conventional one-dimensional hydrogen spectrum pulse sequence to acquire a one-dimensional hydrogen spectrum, obtaining signal peak distribution and spectrum width information, and measuring the non-selective 90-degree radio frequency pulse width; inputting a compiled two-dimensional phase-sensitive J spectrum pulse sequence into the nuclear magnetic resonance spectrometer, opening a chiro pulse weak selection layer gradient combination module and a two-dimensional phase-sensitive J spectrum pulse sequence sampling module of the two-dimensional phase-sensitive J spectrum pulse sequence; setting two-dimensional phase-sensitive J spectrum pulse sequence experiment parameters, inspecting that the experiment parameters are set correctly, and then executing data sampling; after the completion of data sampling, performing corresponding data splicing and two-dimensional Fourier transform to obtain a two-dimensional frequency spectrum containing J coupling information and chemical displacement information; performing two-dimensional phase-sensitive treatment on the obtained two-dimensional frequency spectrum to obtain the two-dimensional phase-sensitive J spectrum.
Owner:XIAMEN UNIV

Nuclear magnetic resonance transverse relaxation measurement method without J-coupling-effect interference

A nuclear magnetic resonance transverse relaxation measurement method without J-coupling-effect interference is suitable for a routine liquid magnetic resonance spectrometer. The nuclear magnetic resonance transverse relaxation measurement method without J-coupling-effect interference can eliminate the J-coupling-effect interference. The method comprises the steps of (1), measuring a pi/2 nonselective RF pulse width required for exciting a sample; (2), introducing a nuclear magnetic resonance pulse sequence into the magnetic resonance spectrometer; (3), starting a transverse relaxation evolution module and a pure chemical shift decoupling module based on a perfect echo for the nuclear magnetic resonance pulse sequence, and setting experiment parameters of the transverse relaxation evolution module and the pure chemical shift decoupling module; (4), performing three-dimensional data sampling; and (5), after data sampling, performing related data after-processing operation, and obtaining a two-dimensional spectrum of which the direct dimension is the pure chemical shift information and the indirect dimension is the transverse relaxation time and error, namely a pure chemical shift-transverse relaxation time two-dimensional correlation spectrum.
Owner:XIAMEN UNIV

Nuclear magnetic resonance multi-dimensional spectrum method for measuring hydrogen-hydrogen coupling constant of specific hydrogen nucleus

The invention provides a nuclear magnetic resonance multi-dimensional spectrum method for measuring the hydrogen-hydrogen coupling constant of a specific hydrogen nucleus. The nuclear magnetic resonance multi-dimensional spectrum method comprises: applying a selective 90 DEG soft pulse while applying a Z-direction magnetic field gradient; applying a perfect echo module, and applying Z-direction magnetic field gradients with the same strength and the same direction on both sides of the selective 180 DEG soft pulse of the perfect echo; adding the 180 DEG soft pulse of an S nucleus after the first t1/2 evolution time in the second echo of the perfect echo so as to retain the J-coupling information of the S nucleus; adding the 180 DEG soft pulse of the S nucleus after the second t1/2 to compensate phase distortion; respectively applying the 180 DEG soft pulse of the selective S nucleus before the two t1/2 evolution times in the second echo so as to obtain a R type sequence corresponding toa N type sequence; and finally carrying out addition on a N type spectrum and a R type spectrum inverted along indirect dimension to obtain a phase-sensitive two-dimensional spectrum, and obtaining the corresponding J-coupling constant by measuring from the splitting of the peak in the indirect dimension.
Owner:XIAMEN UNIV

Fast two-dimensional J spectrum method applied to non-uniform magnetic field

Provided is a fast two-dimensional J spectrum method applied to a non-uniform magnetic field. By using the characteristic that intermolecular double-quantum coherence signals are immune for non-uniformity of the field, the two-dimensional J spectrum method combining an intermolecular double-quantum indirect dimensional delayed evolution module and a J resolution sampling module is designed, wherein a high-resolution two-dimensional J spectrum can be obtained in the non-uniform filed through fast sampling. According to the intermolecular double-quantum indirect dimensional delayed evolution module, a pair of regression linear selection gradients with the strength radio of 1:(-2) are used for selecting the needed intermolecular double-quantum coherence signals, an complete indirect dimensional evolution period t1 is divided into t1 / 3 and 2t1 / 3, and finally, chemical shift evolution information immune for non-uniform filed interference of the field is obtained. The J resolution sampling module is composed of a sampling period t2 and a nonselective pi pulse, and repeated for 2N times, and J coupling evolution information immune for the non-uniform interference of the field can be fastobtained through once scanning. Finally, through specific data fitting treatment, the high-resolution two-dimensional J spectrum is obtained.
Owner:XIAMEN UNIV

High-resolution magnetic resonant method for measuring two-dimensional J decomposition spectrum of coupling constant

The invention provides a high-resolution magnetic resonant method for measuring two-dimensional J decomposition spectrum of a coupling constant. The high-resolution magnetic resonant method comprisesthe steps of firstly, applying 90-degree hard pulse to allow a magnetic vector to rotate from a Z direction to an XY plane; secondly, applying an improved spin echo module. Such an effect is in a waythat core-correlated J coupling acting with selected 180-degree pulse is reunited with indirect dimension, so that other J couplings are maintained to be converted in the indirect dimension, and chemical displacement and all J couplings are converted at normal conversion time of direct dimension. By the method, two-dimensional J decomposition spectrum possessing a pure absorption line type can beobtained; after 45-degree rotation on the obtained two-dimensional spectrum, projection spectrum of direct dimension is in a way that pure chemical displacement spectrum of coupling division correlated to the selected core is only maintained, and thus, the J coupling constant can be conveniently measured; and division information of other couplings is maintained by projection of the indirect dimension, and multiplet-mode analysis is helped.
Owner:XIAMEN UNIV

Nuclear magnetic resonance phase-sensitive two-dimensional J decomposition spectrum method for inhibiting strong coupling pseudo peak

The invention provides a nuclear magnetic resonance phase-sensitive two-dimensional J decomposition spectrum method for inhibiting a strong coupling pseudo peak. The method is used for multi-peak analysis of a complex chemical sample, and relates to the field of magnetic resonance spectroscopy detection. According to the method, two chirp sweep frequency pulses in opposite directions are adopted to achieve the purpose of restraining strong coupling pseudo peaks, a PSYCHE module is used for acquiring pure chemical shift information at a direct dimension, the evolution effect of J coupling is eliminated, J coupling information is recovered again through the effect of refocusing chemical shift by a J sampling module at an indirect dimension, and data post-processing is performed on a collected original signal to obtain a nuclear magnetic resonance phase-sensitive J decomposition spectrum for inhibiting the strong coupling pseudo peak. The effect of inhibiting the strong coupling pseudo peak is remarkable, and the method has extremely important significance on research of pure chemical shift in a magnetic resonance spectrum.
Owner:XIAMEN UNIV

A fast two-dimensional j-spectroscopy method for inhomogeneous magnetic fields

Provided is a fast two-dimensional J spectrum method applied to a non-uniform magnetic field. By using the characteristic that intermolecular double-quantum coherence signals are immune for non-uniformity of the field, the two-dimensional J spectrum method combining an intermolecular double-quantum indirect dimensional delayed evolution module and a J resolution sampling module is designed, wherein a high-resolution two-dimensional J spectrum can be obtained in the non-uniform filed through fast sampling. According to the intermolecular double-quantum indirect dimensional delayed evolution module, a pair of regression linear selection gradients with the strength radio of 1:(-2) are used for selecting the needed intermolecular double-quantum coherence signals, an complete indirect dimensional evolution period t1 is divided into t1 / 3 and 2t1 / 3, and finally, chemical shift evolution information immune for non-uniform filed interference of the field is obtained. The J resolution sampling module is composed of a sampling period t2 and a nonselective pi pulse, and repeated for 2N times, and J coupling evolution information immune for the non-uniform interference of the field can be fastobtained through once scanning. Finally, through specific data fitting treatment, the high-resolution two-dimensional J spectrum is obtained.
Owner:XIAMEN UNIV

A phase-sensitive selective j-spectroscopy method for suppressing axial peaks

The invention discloses a phase-sensitive selective J spectrum method for suppressing an axial peak, and relates to a nuclear magnetic resonance multidimensional spectrum method. The method comprises:applying a 90-degree hard pulse, rotating a magnetization vector to an XY plane from a Z direction, selecting an S core by using a 180-degree selective pulse and a pair of phase dispersion gradients,other transverse magnetization vectors being subjected to phase dispersion, and applying a perfect echo module; setting parameters, an excitation angle and a corresponding gradient of the PSYCHE module; determining the number ni of indirect dimensional sampling points and the spectral width SW1, and ensuring that the J coupling constant measured by the SW1 is large; setting the cycle index Nt ofthe sampling window; performing direct dimensional Fourier transform on the sampled N-type signal and R-type signal, adding real parts of the N-type signal and R-type signal after Fourier transform toserve as a real part of a composite signal, subtracting the real parts to serve as an imaginary part of the composite signal, and performing indirect dimensional Fourier transform on the composite signal to obtain a phase-sensitive selective J spectrum. The method is more accurate, has high spectrogram resolution, and can be widely used in complex compound structure analysis.
Owner:XIAMEN UNIV +1

Nuclear magnetic resonance method of two-dimensional J decomposition spectrum

The invention provides a nuclear magnetic resonance method of a two-dimensional J decomposition spectrum. The nuclear magnetic resonance method of the two-dimensional J decomposition spectrum is convenient for measuring a coupling constant. The method comprises the following steps of: firstly, applying a 90-degree hard pulse to rotate a magnetization vector from a Z direction to an XY plane; secondly, applying an improved spin echo module, namely inserting a selective 180-degree pulse into a conventional 't 1/2-180-degree-t 1/2' module; and finally, performing two-dimensional Fourier transformto obtain a two-dimensional spectrogram, wherein a signal separation mode arranged along 45 degrees in the conventional two-dimensional J decomposition spectrum is changed into two split signals arranged along 45 degrees, and the distance between the two signals is J coupling related to a kernel acted by the selective 180-degree pulse. The two-dimensional spectrum is rotated by 45 degrees and isprojected to a direct dimension to obtain a pure chemical displacement one-dimensional spectrum, but the J coupling related to the selected kernel is reserved. Therefore, the J coupling constant related to the selected kernel can be conveniently measured from a direct dimension projection spectrum.
Owner:XIAMEN UNIV

A NMR Multidimensional Spectroscopy Method for Measuring Specific Proton-Nuclear-Hydrogen Coupling Constants

The invention provides a nuclear magnetic resonance multi-dimensional spectrum method for measuring the hydrogen-hydrogen coupling constant of a specific hydrogen nucleus. The nuclear magnetic resonance multi-dimensional spectrum method comprises: applying a selective 90 DEG soft pulse while applying a Z-direction magnetic field gradient; applying a perfect echo module, and applying Z-direction magnetic field gradients with the same strength and the same direction on both sides of the selective 180 DEG soft pulse of the perfect echo; adding the 180 DEG soft pulse of an S nucleus after the first t1 / 2 evolution time in the second echo of the perfect echo so as to retain the J-coupling information of the S nucleus; adding the 180 DEG soft pulse of the S nucleus after the second t1 / 2 to compensate phase distortion; respectively applying the 180 DEG soft pulse of the selective S nucleus before the two t1 / 2 evolution times in the second echo so as to obtain a R type sequence corresponding toa N type sequence; and finally carrying out addition on a N type spectrum and a R type spectrum inverted along indirect dimension to obtain a phase-sensitive two-dimensional spectrum, and obtaining the corresponding J-coupling constant by measuring from the splitting of the peak in the indirect dimension.
Owner:XIAMEN UNIV
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