Method for eliminating matrix effect in biological analysis based on liquid chromatograph-mass spectrometer and AI algorithm

Abstract

The invention discloses a method for eliminating a matrix effect in biological analysis based on a liquid chromatograph-mass spectrometer and an AI algorithm. The method comprises the following steps: S1, establishing a matrix effect value database of various biological samples; s2, constructing a neural network model; s3, receiving training data and test data; s4, training a neural network model; s5, determining a loss function of the trained neural network model for the test data; s6, adjusting an initial regularization parameter; s7, training a neural network model; s8, extracting characteristic data in the biological sample to be detected; s9, comparing the feature data; and S10, obtaining a matrix effect value, and correcting an analysis result. According to the invention, the matrix effect can be eliminated to the maximum extent, the biological analysis result is corrected, the deviation caused by different sample matrixes is avoided, the accuracy of the result is ensured, meanwhile, the detection cost is reduced, the detection time is shortened, the detection efficiency is improved, the method is simpler and quicker, and the manpower and material cost is saved.

Description

technical field [0001] The invention relates to the technical field of liquid-mass spectrometry bioanalysis, in particular to a method for eliminating matrix effects in bioanalysis based on liquid mass spectrometry and AI algorithms. Background technique [0002] The matrix refers to all the components in the sample except the analyte, which can significantly reduce or enhance the generation rate and ionic strength of the target ions, thus seriously affecting the accuracy of the detection results. This ion suppression or ion enhancement effect is called matrix effect. [0003] In liquid chromatography-tandem mass spectrometry (LC-MS / MS) coupled detection technology, the interfering substances that co-elute with the target affect the analyte when the ion source is ionized, resulting in a matrix effect. Mainly include: 1. Since the surface size of the charged droplet and the amount of additional electricity (10-5mol / L) are limited during ionization, the interferer will compet...

AI Technical Summary

Problems solved by technology

Mainly include: 1. Since the surface size of the charged droplet and the amount of additional electricity (10-5mol / L) are limited during ionization, the interferer will compete with the target for this limited surface and electricity to cause the target to Incomplete ionization; (2) The presence of interfering substances will change the physical and chemical properties of the analyte such as viscosity and surface tension and affect the ionization of the target; (3) Some non-volatile substances in the matrix will form complexes with the target compound or Deposits prevent successful generation of gaseous ions

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