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Multivariate curve resolution-particle swarm optimization: A high-throughput approach to exploit pure information from multi-component hyphenated chromatographic signals, Article Analytica Chimica Acta ; Volume 772 , 2013 , Pages 16-25 ; 00032670 (ISSN) ; Ebrahimi Najafabadi, H ; Jalali Heravi, M ; Sharif University of Technology
Multivariate curve resolution-particle swarm optimization (MCR-PSO) algorithm is proposed to exploit pure chromatographic and spectroscopic information from multi-component hyphenated chromatographic signals. This new MCR method is based on rotation of mathematically unique PCA solutions into the chemically meaningful MCR solutions. To obtain a proper rotation matrix, an objective function based on non-fulfillment of constraints is defined and is optimized using particle swarm optimization (PSO) algorithm. Initial values of rotation matrix are calculated using local rank analysis and heuristic evolving latent projection (HELP) method. The ability of MCR-PSO in resolving the chromatographic...