European Journal of Chemistry 2011, 2(2), 146-151. doi:10.5155/eurjchem.2.2.146-151.398

First derivative-supervised pattern recognition for the flow-injection spectrophotometric discrimination of s-triazines in water


Judith Amador-Hernández (1,*) , Miguel Velázquez-Manzanares (2) , Magaly Peral-Torres (3)

(1) Ingeniería Ambiental, Universidad del Mar, Ciudad Universitaria Sin Numero, Puerto Ángel Oaxaca, 70902, México
(2) Instituto de Biotecnología, Universidad del Papaloapan, Circuito Central 200, Tuxtepec Oaxaca, 68301, México
(3) Ingeniería Ambiental, Universidad del Mar, Ciudad Universitaria Sin Numero, Puerto Ángel Oaxaca, 70902, México
(*) Corresponding Author

Received: 02 Feb 2011, Accepted: 08 Mar 2011, Published: 30 Jun 2011

Abstract


A new spectrophotometric method is presented for the automated differentiation of chloro- (0.5 to 5.0 mg/mL), thio- (0.5 to 5.0 mg/mL) and methoxy-triazines (1 to 10 mg/mL) in water samples. Classification models obtained by K-nearest neighbours, Soft Independent Modeling of Class Analogy, and Partial Least Squares-Discriminatory Analysis were constructed from zero order and first derivative absorption spectra as independent variables, in the spectral range from 210 to 270 nm. Binary responses were used as classifying variables (with/without certain group of triazines). With this dichotomous structure, parameters related to 2x2 contingency tables were used to evaluate the performance of the models. For tap and well water samples, sensitivity and selectivity values equal or higher than 50 % were obtained from autoscaled first derivative spectra, discriminated by Partial Least Squares-Discriminatory Analysis.2_2_146_151_800

Keywords


Triazines; Pattern recognition; Water; Statistical data analysis; s-Triazines; Flow-injection

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DOI: 10.5155/eurjchem.2.2.146-151.398

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How to cite


Amador-Hernández, J.; Velázquez-Manzanares, M.; Peral-Torres, M. Eur. J. Chem. 2011, 2(2), 146-151. doi:10.5155/eurjchem.2.2.146-151.398
Amador-Hernández, J.; Velázquez-Manzanares, M.; Peral-Torres, M. First derivative-supervised pattern recognition for the flow-injection spectrophotometric discrimination of s-triazines in water. Eur. J. Chem. 2011, 2(2), 146-151. doi:10.5155/eurjchem.2.2.146-151.398
Amador-Hernández, J., Velázquez-Manzanares, M., & Peral-Torres, M. (2011). First derivative-supervised pattern recognition for the flow-injection spectrophotometric discrimination of s-triazines in water. European Journal of Chemistry, 2(2), 146-151. doi:10.5155/eurjchem.2.2.146-151.398
Amador-Hernández, Judith, Miguel Velázquez-Manzanares, & Magaly Peral-Torres. "First derivative-supervised pattern recognition for the flow-injection spectrophotometric discrimination of s-triazines in water." European Journal of Chemistry [Online], 2.2 (2011): 146-151. Web. 21 Sep. 2019
Amador-Hernández, Judith, Velázquez-Manzanares, Miguel, AND Peral-Torres, Magaly. "First derivative-supervised pattern recognition for the flow-injection spectrophotometric discrimination of s-triazines in water" European Journal of Chemistry [Online], Volume 2 Number 2 (30 June 2011)

DOI Link: https://doi.org/10.5155/eurjchem.2.2.146-151.398

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