title: Biologically driven neural platform invoking parallel electrophoretic separation and urinary metabolite screening.
abstract: This work reveals a computational framework for parallel electrophoretic separation of complex biological macromolecules and model urinary metabolites. More specifically, the implementation of a particle swarm optimization (PSO) algorithm on a neural network platform for multiparameter optimization of multiplexed 24-capillary electrophoresis technology with UV detection is highlighted. Two experimental systems were examined: (1) separation of purified rabbit metallothioneins and (2) separation of model toluene urinary metabolites and selected organic acids. Results proved superior to the use of neural networks employing standard back propagation when examining training error, fitting response, and predictive abilities. Simulation runs were obtained as a result of metaheuristic examination of the global search space with experimental responses in good agreement with predicted values. Full separation of selected analytes was realized after employing optimal model conditions. This framework provides guidance for the application of metaheuristic computational tools to aid in future studies involving parallel chemical separation and screening. Adaptable pseudo-code is provided to enable users of varied software packages and modeling framework to implement the PSO algorithm for their desired use.
authors.affiliation: Department of Chemistry, California Lutheran University, Thousand Oaks, CA 91360, USA.
authors.forename: Tessa
authors.initials: T
authors.lastname: Page
authors.forename: Huong Thi Huynh
authors.initials: HT
authors.lastname: Nguyen
authors.forename: Lindsey
authors.initials: L
authors.lastname: Hilts
authors.forename: Lorena
authors.initials: L
authors.lastname: Ramos
authors.forename: Grady
authors.initials: G
authors.lastname: Hanrahan
mesh_terms: D000465:Algorithms; D000818:Animals; D003198:Computer Simulation; D019075:Electrophoresis, Capillary / Q000379:methods*; D008668:Metallothionein / Q000302:isolation & purification; D008956:Models, Chemical; D016571:Neural Networks, Computer; D020033:Protein Isoforms / Q000302:isolation & purification; D011817:Rabbits; D012680:Sensitivity and Specificity; D012984:Software; D014050:Toluene / Q000302:isolation & purification* / Q000378:metabolism*; D016482:Urinalysis / Q000379:methods*; D014556:Urine / Q000737:chemistry*
chemical_list: D020033:Protein Isoforms; D014050:Toluene; D008668:Metallothionein