Automatic classification of water samples using an optimized SVM model applied to cyclic voltammetry signals.
DOI:
https://doi.org/10.17533/udea.vitae.v26n2a05Keywords:
Electronic tongue, water quality, authenticity, machine learning, voltammetry.Abstract
Background: concern about the quality of the water for human consumption has become widespread among the population. The taste and some problems associated with drinking water have been the cause of increased demand for bottled water. Due to this, day to day, a large number of companies has manifested their interest in the production of bottled water. Objective: to evaluate a novel automatic classification model that differentiates bottled water from tap water. Methods: the voltammetric technique consisted of three electrode setup. The output current has been considered for data analysis. From the results of grid search, six pairs of values were pre-selected for the parameters of σ and C whose results were similar. High values of accuracy, specificity and sensitivity were achieved in test dataset. The final decision was made after performing an ANOVA test of 100 repetitions of 5-fold cross-validation, 3000 models were evaluated with the parameter combinations described above for the SVM. Results: the oxidation and reduction peaks of the water samples have been observed to be prominent. Absolute values of current (I) increased in the case of public water samples, possibly due to the largest concentration of chloride ions which have higher contributions to the conductivity. 5-fold cross-validation test mean specificity resulted in C parameters values greater than 0 and between 0 and 30; a σ value greater than 10 and between 0 and 15 were found for tap water and bottled water, respectively. The combination (σ = 10, C = 30) presented best results in accuracy 0.988 ± 0.037, specificity 0.973 ± 0.085 and sensitivity 1 ± 0.09. Conclusions: results of this research work have shown that voltammograms for values of current increased for tap water samples, 9.94e-6μA, compared to 7.99e-6μA due to higher chloride ions concentration in the former. The parameters combination (σ = 10, C = 20) was selected as optimal parameters since there were no significant difference between this and the former.
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References
Doria MF. Bottled water versus tap water: understanding consumers’ preferences. J Water Health [Internet]. 2006 Jun;4(2):271–6. Available from: https://www.ncbi.nlm.nih.gov/pubmed/16813019
Bueno L, de Araujo W, Salles M, Kussuda M, Paixão T. Voltammetric Electronic Tongue for Discrimination of Milk Adulterated with Urea, Formaldehyde and Melamine. Chemosensors [Internet]. 2014 Nov 14 [cited 2018 Sep 5];2(4):251-66. Available from: DOI: org/10.3390/chemosensors2040251
Gray NF. Drinking Water Quality: Problems and Solutions [Internet]. Cambridge University Press; 2008. 537 p. Available from: https://market.android.com/details?id=book-qirl4ysxvgcC
Togari N, Kobayashi A, Aishima T. Pattern recognition applied to gas chromatographic profiles of volatile components in three tea categories - ScienceDirect [Internet]. Elsevier; 1995
[cited 2017 Feb 24]. Available from: DOI: Org/10.1016/0963-9969(95)00029-1
Horie H, Mukai T, Kohata K. Simultaneous determination of qualitatively important components in green tea infusions using capillary electrophoresis. J Chromatogr A [Internet]. 1997 Jan 17;758(2):332–5. Available from: https://doi.org/10.1016/S0021-9673(96)00764-9
Zuo Y, Chen H, Deng Y. Simultaneous determination of catechins, caffeine and gallic acids in green, Oolong, black and pu-erh teas using HPLC with a photodiode array detector. Talanta [Internet]. 2002 May 16;57(2):307-16. Available from: DOI:10.1016/s0039-9140(02)00030-9
Sliwinska M, Wisniewska P, Dymerski T, Namiesnik J, Wardencki W. Food analysis using artificial senses. J Agric Food Chem [Internet]. 2014;62(7):1423-48. Available from: DOI.ORG/10.1021/JF403215Y
Ivarsson P, Krantz-Rülcker C, Winquist F, Lundström I. A voltammetric electronic tongue. Chem Senses [Internet]. 2005 Jan;30 Suppl 1:i258-9. Available from: DOI:10.1093/chemse/bjh213
Winquist F, Olsson J, Eriksson M. Multicomponent analysis of drinking water by a voltammetric electronic tongue. Anal Chim Acta [Internet]. 2011 Jan 10;683(2):192-7. Available from: DOI:10.1016/j.aca.2010.10.027
Gruden R, Buchholz A, Kanoun O. Electrochemical analysis of water and suds by impedance spectroscopy and cyclic voltammetry. Journal of Sensors and Sensor Systems [Internet]. 2014;3(2):133. Available from: DOI: 10.5194/jsss-3-133-2014
Alcañiz Fillol M. Diseño de un sistema de lengua electrónica basado en técnicas electroquímicas voltamétricas y su aplicación en el ámbito agroalimentario [Internet]. riunet.upv.es; 2011. Available from: DOI:10.4995/Thesis/10251/11303
El Alami El Hassani N, Tahri K, Llobet E, Bouchikhi B, Errachid A, Zine N, et al. Emerging approach for analytical
characterization and geographical classification of Moroccan and French honeys by means of a voltammetric electronic tongue. Food Chem [Internet]. 2018 Mar 15;243:36-42. Available from: http://dx.doi.org/10.1016/j.foodchem.2017.09.067
Fuentes Pérez E. Aplicación de la lengua electrónica voltamétrica a alimentos líquidos [Internet]. riunet.upv.es; 2017. Available from: DOI:10.4995/Thesis/10251/90446
Tønning E, Sapelnikova S, Christensen J, Carlsson C, Winther-Nielsen M, Dock E, et al. Chemometric exploration
of an amperometric biosensor array for fast determination of wastewater quality. Biosens Bioelectron [Internet]. 2005 Oct 15;21(4):608-17. Available from: DOI: 10.1016/j.bios.2004.12.023
Gutés A, Cespedes F, del Valle M, Louthander D, KrantzRülcker C, Winquist F. A flow injection voltammetric electronic tongue applied to paper mill industrial waters. Sens Actuators B Chem [Internet]. 2006 May 23;115(1):390-5. Available from: DOI: 10.1016/j.snb.2005.09.024
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