نوزدهمین سمینار شیمی تجزیه ایران , 2013-02-26

Title : ( Accommodating of resolved chemical kinetic model of uncalibratedinterferents during multivariate calibration models )

Authors: H. Abdollahi , Taherh Heidari ,

Citation: BibTeX | EndNote

Abstract

The simultaneous determination of several analytes based on kinetic spectrophotometric method is usually performed by chemometrics method, especially in cases where the analytes react with a common reagent. One of the most serious problems with multivariate calibration methods is the lack of possibility to handle interferents which are not present during calibration[1]. If the kinetic profile of the unmodeled component can be obtained and mathematically added in variable amounts to the original calibration spectra, then a new synthetic multivariate calibration model can be generated from the augmented data to accommodate the presence of the unmodeled source of spectral.In this study a new simple method is proposed for estimation of kinetic model of anunknown interferent by estimation of its rate constant. This algorithm is based on similarity of kinetic mechanism of the analyt and interference, exponentially decaying contribution profiles or (pseudo)first order kinetic. In the proposed method, no chemical and spectral information about interference is necessary.The applicability of the proposed method was examined for analysis of simulated and experimental outlier prediction set from first-order kinetic reactions data. The satisfactoryresults were obtained using partial least square regression calibration model.The method was successfully applied for determination ofsemicarbazide in the synthetic prediction samples and spiked tap water containing hydrazine as unmodeledinterferent.The accuracy and precision of the results are all satisfactory, and show the applicability of the method for real and complex samples.

Keywords

Accommodating;chemical kinetic model ; uncalibratedinterferents
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@inproceedings{paperid:1035793,
author = {H. Abdollahi and Heidari, Taherh},
title = {Accommodating of resolved chemical kinetic model of uncalibratedinterferents during multivariate calibration models},
booktitle = {نوزدهمین سمینار شیمی تجزیه ایران},
year = {2013},
location = {مشهد, IRAN},
keywords = {Accommodating;chemical kinetic model ; uncalibratedinterferents},
}

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%0 Conference Proceedings
%T Accommodating of resolved chemical kinetic model of uncalibratedinterferents during multivariate calibration models
%A H. Abdollahi
%A Heidari, Taherh
%J نوزدهمین سمینار شیمی تجزیه ایران
%D 2013

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