caa a22 4500 463219945 CHVBK 20180405153209.0 cr unu---uuuuu 170326e20070401xx s 000 0 eng 10.1134/S1061934807040090 doi (NATIONALLICENCE)springer-10.1134/S1061934807040090 Simultaneous kinetic-spectrophotometric determination of sulfide and sulfite by partial least squares and genetic algorithm variable selection [Elektronische Daten] [J. Ghasemi, D. Ebrahimi, L. Hejazi, R. Leardi, A. Niazi] Simultaneous multicomponent analysis is usually carried out by multivariate calibration models such as partial least squares (PLS) that utilize the full spectrum. It has been demonstrated by both experimental and theoretical considerations that better results can be obtained by a proper selection of the spectral range to be included in calculations. A genetic algorithm is one of the most popular methods for selecting variables for PLS calibration of mixtures with almost identical spectra without loss of prediction capacity. In this work, a simple and precise method for rapid and accurate simultaneous determination of sulfide and sulfite ions based on the addition reaction of these ions with new fuchsin at pH 8 and 25°C by PLS regression and using a genetic algorithm (GA) for variable selection is proposed. The concentrations of sulfide and sulfite ions varied between 0.05-2.50 and 0.15-2.00 µg/mL, respectively. A series of synthetic solutions containing different concentrations of sulfide and sulfite were used to check the prediction ability of GA-PLS models. The root mean square error of prediction with PLS on the whole data set was 0.19 µg/mL for sulfide and 0.09 µg/mL for sulfite. After the application of GA, these values were reduced to 0.04 and 0.03 µg/mL, respectively. Pleiades Publishing, Ltd., 2007 Ghasemi J. Department of Chemistry, Faculty of Sciences, Razi University, Kermanshah, Iran aut Ebrahimi D. Department of Chemistry, Faculty of Sciences, Razi University, Kermanshah, Iran aut Hejazi L. Department of Chemistry, Tarbiat Modares University, 14115175, Tehran, Iran aut Leardi R. Department of Pharmaceutical and Food Chemistry and Technology, University of Genova, Via Brigata Salarno (Ponte), I-16147, Genova, Italy aut Niazi A. Department of Chemistry, Faculty of Sciences, Razi University, Kermanshah, Iran aut Journal of Analytical Chemistry Nauka/Interperiodica 62/4(2007-04-01), 348-354 1061-9348 62:4<348 2007 62 10809 https://doi.org/10.1134/S1061934807040090 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1134/S1061934807040090 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Ghasemi J. Department of Chemistry, Faculty of Sciences, Razi University, Kermanshah, Iran aut NATIONALLICENCE 700 1- Ebrahimi D. Department of Chemistry, Faculty of Sciences, Razi University, Kermanshah, Iran aut NATIONALLICENCE 700 1- Hejazi L. Department of Chemistry, Tarbiat Modares University, 14115175, Tehran, Iran aut NATIONALLICENCE 700 1- Leardi R. Department of Pharmaceutical and Food Chemistry and Technology, University of Genova, Via Brigata Salarno (Ponte), I-16147, Genova, Italy aut NATIONALLICENCE 700 1- Niazi A. Department of Chemistry, Faculty of Sciences, Razi University, Kermanshah, Iran aut NATIONALLICENCE 773 0- Journal of Analytical Chemistry Nauka/Interperiodica 62/4(2007-04-01), 348-354 1061-9348 62:4<348 2007 62 10809 Metadata rights reserved Springer special CC-BY-NC licence nationallicence SWISSBIB 462055124 BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer