title: Application of artificial neural networks in the prediction of product distribution in electrophoretically mediated microanalysis.
abstract: The successful application of artificial neural networks toward the prediction of product distribution in electrophoretically mediated microanalysis is presented. To illustrate this concept, we examined the factors and levels required for optimization of reaction conditions for the conversion of nicotinamide adenine dinucleotide to nicotinamide adenine dinucleotide, reduced form by glucose-6-phosphate dehydrogenase in the conversion of glucose-6-phosphate to 6-phosphogluconate. A full factorial experimental design examining the factors voltage, enzyme concentration, and mixing time of reaction was utilized as input-output data sources for suitable artificial neural networks training for prediction purposes. This approach proved successful in predicting optimal values in a reduced number of experiments. Model validation addressing the extent of reaction and product ratios were subsequently determined experimentally in replicate analyses, with results shown to be in good agreement (<10% discrepancy difference) with predicted data.
authors.affiliation: Department of Chemistry and Biochemistry, California State University, State University Drive, Los Angeles, CA 90032, USA.
authors.forename: Toni Ann
authors.initials: TA
authors.lastname: Riveros
authors.forename: Lyra
authors.initials: L
authors.lastname: Porcasi
authors.forename: Sarah
authors.initials: S
authors.lastname: Muliadi
authors.forename: Grady
authors.initials: G
authors.lastname: Hanrahan
authors.forename: Frank A
authors.initials: FA
authors.lastname: Gomez
mesh_terms: D000704:Analysis of Variance; D002021:Buffers; D019075:Electrophoresis, Capillary / Q000379:methods*; D005954:Glucosephosphate Dehydrogenase / Q000378:metabolism; D006588:Hexanones / Q000737:chemistry; D006863:Hydrogen-Ion Concentration; D016014:Linear Models; D008832:Microchemistry / Q000379:methods*; D008956:Models, Chemical; D009243:NAD / Q000737:chemistry / Q000378:metabolism; D016571:Neural Networks, Computer; D015203:Reproducibility of Results
chemical_list: D002021:Buffers; D006588:Hexanones; D009243:NAD; C008374:mesityl oxide; D005954:Glucosephosphate Dehydrogenase