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Method for analyzing NMR (Nuclear Magnetic Resonance) metabonomics detection data

A technology of detection data and analysis methods, applied in the field of analysis of NMR metabolomics detection data, can solve the problems of high cost of use, low penetration rate of enterprise and commercial applications, and insufficient product development.

Inactive Publication Date: 2012-01-18
SHANGHAI CLUSTER BIOTECH
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Problems solved by technology

[0004] In China, its application is mainly in basic research, and the penetration rate of enterprise and commercial applications is not high, mainly due to insufficient product development and high cost of use

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  • Method for analyzing NMR (Nuclear Magnetic Resonance) metabonomics detection data
  • Method for analyzing NMR (Nuclear Magnetic Resonance) metabonomics detection data

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Embodiment Construction

[0015] According to the present invention, an analysis method of NMR metabolomics detection data, the present invention uses rat urine, feces and tissue extracts to carry out NMR metabolomics detection and analysis as an example, illustrating the specific implementation steps of the method:

[0016] Step 1, the NMR detection technology obtains the spectrum, and processes the spectrum;

[0017] Use TopSpin software (V3.0, Bruker Biospin, Germany) to perform Fourier transform, phase adjustment, baseline correction, and calibration on the spectrograms. Exponential window function to improve signal-to-noise ratio.

[0018] Step 2, sample cluster analysis, draw sample cluster analysis histogram;

[0019] The biostatistics software SPSS Statistics 17.0 was used for cluster analysis of the samples, so as to grasp the overall information of the samples.

[0020] Step 3, principal component (PCA) analysis;

[0021] The SIMCA-P+ software (V11.0, Umetrics AB, Umea, Sweden) was used to...

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Abstract

The invention provides a method for analyzing NMR (Nuclear Magnetic Resonance) metabonomics detection data and belongs to the field of biotechnology. The method mainly comprises the following processes of: step 1, obtaining a spectrogram by an NMR detection technology and processing the spectrogram; step 2, carrying out cluster analysis on a sample and drawing a sample cluster analysis column diagram; step 3, carrying out principal component analysis (PCA); step 4, carrying out partial least squares discriminant analysis (PLS-DA) and verifying a model; step 5, carrying out orthogonal partial least squares discriminant analysis (OPLS-DA); and step 6, identifying difference metabolites and carrying out correlation analysis between the metabolites. The method has the advantage of providing a novel approach for analyzing the spectrogram obtained by the NMR metabonomics detection.

Description

technical field [0001] The invention belongs to the field of biotechnology, relates to the data analysis aspect of NMR (nuclear magnetic resonance) metabolomics detection, and provides an analysis method for NMR metabolomics detection data. Background technique [0002] NMR (Nuclear Magnetic Resonance) is nuclear magnetic resonance. It is an atomic nucleus with a non-zero magnetic moment. Under the action of an external magnetic field, the spin energy level undergoes Zeiman splitting, and the physical process of resonantly absorbing radio frequency radiation of a certain frequency. NMR spectroscopy is a branch of spectroscopy, its resonance frequency is in the radio frequency band, and the corresponding transition is the transition of nuclear spin on the nuclear Zeiman level. NMR is suitable for liquids and solids. Today's high-resolution technology also uses NMR for the study of semi-solid and micro samples. NMR spectra have developed from the past one-dimensional spectr...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N24/08
Inventor 刘瑜
Owner SHANGHAI CLUSTER BIOTECH