title: Simultaneous spectrophotometric determination of p-benzoquinone and chloranil after microcrystalline naphthalene extraction by using genetic algorithm-based wavelength selection-partial least squares regression.
abstract: Microcrystalline naphthalene extraction has been used for the preconcentration of p-benzoquinone and tetrachloro-p-benzoquinone (chloranil), after their reaction by aniline, and later simultaneous spectrophotometric analysis by genetic algorithm-partial least squares (GA-PLS) calibration. The chemical variables affecting the analytical performance of the methodology were studied and optimized. Under the optimum conditions i.e., [aniline] = 0.05 M and [naphthalene] = 2.2% (w/v), preconcentration of 25 ml of sample solution permitted the detection of 0.32 and 0.23 microg ml(-1) for p-benzoquinone and chloranil, respectively. The predictive abilities of partial least squares regression (PLS) and genetic algorithm-partial least squares regression (GA-PLS) were examined for simultaneous determination of two quinones. The GA-PLS shows superiority over other PLS methods due to the wavelength selection in PLS calibration using a genetic algorithm without loss of prediction capacity, provides useful information about the chemical system.
authors.affiliation: Department of Chemistry, Institute for Advanced Studies in Basic Sciences, Zanjan 45195-159, Iran. abd@iasbs.ac.ir
authors.forename: Hamid
authors.initials: H
authors.lastname: Abdollahi
authors.forename: Leila
authors.initials: L
authors.lastname: Bagheri
mesh_terms: D000465:Algorithms; D000814:Aniline Compounds / Q000737:chemistry; D016227:Benzoquinones / Q000032:analysis*; D002138:Calibration; D002703:Chloranil / Q000032:analysis*; D016018:Least-Squares Analysis; D008957:Models, Genetic; D009281:Naphthalenes / Q000737:chemistry*; D011809:Quinones / Q000032:analysis / Q000592:standards; D013053:Spectrophotometry / Q000379:methods*
chemical_list: D000814:Aniline Compounds; D016227:Benzoquinones; D009281:Naphthalenes; D011809:Quinones; D002703:Chloranil; C031721:naphthalene; C004532:quinone; C023650:aniline