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- W1549125891 abstract "Proton Nuclear Magnetic Resonance (NMR) spectroscopy was used together with the chemometric technique ofPLS-1 to quantitatively analyze mixtures of up to five different plasticizers. The five plasticizers chosen for the study are commonly used to plasticize poly(vinyl chloride): di(2-ethyl hexyl) phthalate, butyl benzyl phthalate, 2,2,4-trimethyl-1,3pentanediol diisobutyrate, diisoheptyl phthalate, and epoxidized soybean oil. GRAMS/386 software (Galactic Industries Corporation, Salem, NH) together with the add-on application PLSplus/IQ was used for the chemometric analysis. A total of 111 proton NMR spectra of known plasticizer mixtures was used to create the calibration model. The calibration model was used to predict the compositions of 50 unknown mixtures based on their proton NMR spectra. The model was able to predict the compositions of these unknowns with a high degree of accuracy. Almost all of the samples were predicted to well within 1% (absolute) of the true values for all of the components, and 34 of the 50 were predicted to within 0.5%. The root mean squares of the differences between actual and predicted compositions (in absolute percentages) for the five plasticizers were 0.38%, 0.31 %,0.22%,0.48%, and 0.30%, respectively." @default.
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- W1549125891 date "1998-01-01" @default.
- W1549125891 modified "2023-09-26" @default.
- W1549125891 title "Use of the chemometric technique of partial least squares-1 (PLS-1) with proton nuclear magnetic resonance spectroscopy in the quantitative analysis of plasticizer mixtures" @default.
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