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Screening and calibrating method of metabolomic data random errors

A metabolomics data and random error technology, which is applied in the field of analytical chemistry and metabolomics, can solve problems such as interference with experimental results and random errors, and achieve obvious correction effects, quality improvement, and high throughput

Inactive Publication Date: 2016-03-23
DALIAN UNIV OF TECH
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Problems solved by technology

However, due to the influence of various unstable random factors in the analysis process, such as changes in environmental conditions such as room temperature, relative humidity, and air pressure, small differences in the operation of analysts, and instrument instability, etc., random errors will exist, which will interfere with the experiment. result

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  • Screening and calibrating method of metabolomic data random errors
  • Screening and calibrating method of metabolomic data random errors
  • Screening and calibrating method of metabolomic data random errors

Examples

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Embodiment

[0023] 1 sample

[0024] In this example, fresh tobacco leaves were used as samples. A total of 447 fresh tobacco leaves were collected from three production areas in Henan, Yunnan and Guizhou. They were stored in liquid nitrogen at -196°C, transported, ground under liquid nitrogen, freeze-dried at low temperature, and stored in a refrigerator at -80°C. Weigh 0.5g of each tobacco powder sample, mix them evenly, and generate a new sample, ie, a quality control (QC) sample. QC samples can be used to establish gas chromatography-mass spectrometry (GC-MS) quasi-target metabolomics methods, evaluate the repeatability of analytical methods, and correct errors in metabolomic data of actual samples.

[0025] 2. Random error screening and correction method:

[0026] 2.1 GC-MS metabolomics analysis

[0027] (1) Sample pretreatment: the fresh tobacco leaf samples were taken out from the -80°C refrigerator, placed in a 4°C refrigerator overnight, and then placed at room temperature for ...

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Abstract

The invention discloses a screening and calibrating method of metabolomic data random errors. The method comprises the steps that a sample is analyzed through a chromatograph-mass spectrometer to obtain a metabolome profile, the specific value of response intensities of metabolites in every two adjacent quality control (QC) samples is calculated, the specific values are sorted from small to large, 5% of the total number of the specific values are screened to serve as discrete points, the discrete points accounting for 5% of the total number of the specific values are averagely distributed to the two ends of the sorted specific values, and therefore a model is established to screen the random errors in metabolomic data; then a linear fitting model of the specific values is utilized to calibrate the random errors. According to the screening and calibrating method of the metabolomic data random errors, the core is that the model is established through the response intensities of the metabolites in every two adjacent QC samples to screen and calibrate the random errors; the random errors in the metabolomic data can be screened and calibrated efficiently and accurately, and the quality of the metabolomic data can be improved.

Description

technical field [0001] The present invention relates to the fields of analytical chemistry and metabolomics. It is a method for screening and correcting random errors in metabolomics data. Background technique [0002] Metabolomics is a discipline that studies the dynamic changes of endogenous small molecule metabolites in organisms, and is another important branch of systems biology after genomics, transcriptomics, and proteomics. Metabolites are the final products of gene regulation and the link between genotype and biological phenotype. The qualitative and quantitative analysis of small molecule metabolites can directly reflect the current physiological state of the body. In recent years, with the development of analytical technology, the application of metabolomics has been extended to the early diagnosis and treatment of diseases, the discovery of clinical markers, drug screening and toxicity evaluation, drug quality control, functional genomics, botany and other life ...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G01N30/02
CPCG01N30/02
Inventor 林晓惠郝志强赵燕妮许国旺路鑫
Owner DALIAN UNIV OF TECH
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