Affiliation:
1. Faculty of Electrical Engineering and Computer Sciences Ningbo University Ningbo China
2. Zhejiang Engineering Research Center of Advanced Mass Spectrometry and Clinical Application, Institute of Mass Spectrometry Ningbo University Ningbo China
3. Academic Affairs Department Zhejiang Police College Hangzhou China
4. Key Laboratory of Drug Monitoring and Control of Zhejiang Province National Anti‐Drug Laboratory Zhejiang Regional Center Hangzhou China
Abstract
RationaleIn the field of separation science, ion mobility spectrometry (IMS) plays an important role as an analytical tool. However, the lack of sufficient structural resolution is a common problem in qualitative and quantitative analysis using IMS. A method is needed to solve the problem of overlapping peaks caused by insufficient resolution.MethodsThe method uses multiple strategies to more effectively use population information to balance exploration and exploitation capabilities, prevent local optimization, accurately resolve overlapping peaks, quickly obtain optimal spectral peak model coefficients, and accurately identify compounds.ResultsMultistrategy JAYA algorithm's (MSJAYA) performance is compared with improved particle swarm optimization (IPSO), dynamic inertia weight particle swarm optimization (DIWPSO), and multiobjective dynamic teaching‐learning‐based optimization (MDTLBO). The analysis shows that MSJAYA's maximum separation error is within 0.6%, a level of accuracy not guaranteed by the other algorithms. In addition, the separation error fluctuates within a much smaller range, demonstrating MSJAYA's superior robustness.ConclusionsCompared with other overlapping peak separation algorithms, MSJAYA is more applicable because no special parameters are used. The method allows fast deconvolution analysis of strong overlapping peaks with multiple components, which greatly improves the resolution of IMS.
Funder
National Natural Science Foundation of China
Subject
Organic Chemistry,Spectroscopy,Analytical Chemistry