RESOLUTION OF MULTICOMPONENT OVERLAPPING NMR SIGNALS USING AN IMMUNE ALGORITHM AND GENETIC ALGORITHM

ABSTRACT

A novel algorithm imitating the defending process of immune system to resolve the overlapping nuclear magnetic resonance (NMR) spectra is proposed. The method takes an overlapping NMR spectrum as an antigen, and the standard NMR spectra of estimated components as antibodies. The antigen is subtracted iteratively by the antibodies until the residual approaches to zero, and then the information of each component will be extracted. Simulated data sets and a spectrum of a ten-component mixture of amino-acids were investigated by the method. It was proven by the results that the method is a convenient tool for the resolution of multicomponent overlapping NMR signals, and is a promising way to analyze the NMR spectra of mixtures or complex bio-molecules.

Keywords:

• Immune algorithm
• Genetic algorithm
• Resolution
• NMR spectrum

Acknowledgment

This study is supported by the National Natural Science Foundation of China. (No. 29975027.)