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Asian Journal of Green Chemistry
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Journal Archive
Volume Volume 3 (2019)
Volume Volume 2 (2018)
Issue Issue 4. pp. 281-394
Issue Issue 3. pp. 171-280
Issue Issue 2. pp. 85-170
Issue Issue 1. pp. 1-84
Volume Volume 1 (2017)
Shahpar, M., Esmaeilpoor, S. (2018). Quantitative structure-retention relationships applied to chromatographic retention of ecotoxicity of anilines and phenols. Asian Journal of Green Chemistry, 2(Issue 2. pp. 85-170), 144-159. doi: 10.22631/ajgc.2018.100313.1023
Mehrdad Shahpar; Sharmin Esmaeilpoor. "Quantitative structure-retention relationships applied to chromatographic retention of ecotoxicity of anilines and phenols". Asian Journal of Green Chemistry, 2, Issue 2. pp. 85-170, 2018, 144-159. doi: 10.22631/ajgc.2018.100313.1023
Shahpar, M., Esmaeilpoor, S. (2018). 'Quantitative structure-retention relationships applied to chromatographic retention of ecotoxicity of anilines and phenols', Asian Journal of Green Chemistry, 2(Issue 2. pp. 85-170), pp. 144-159. doi: 10.22631/ajgc.2018.100313.1023
Shahpar, M., Esmaeilpoor, S. Quantitative structure-retention relationships applied to chromatographic retention of ecotoxicity of anilines and phenols. Asian Journal of Green Chemistry, 2018; 2(Issue 2. pp. 85-170): 144-159. doi: 10.22631/ajgc.2018.100313.1023

Quantitative structure-retention relationships applied to chromatographic retention of ecotoxicity of anilines and phenols

Article 6, Volume 2, Issue 2. pp. 85-170, Spring 2018, Page 144-159  XML PDF (846.19 K)
Document Type: Original Research Article
DOI: 10.22631/ajgc.2018.100313.1023
Authors
Mehrdad Shahpar email 1; Sharmin Esmaeilpoor2
1Director of Ilam Petrochemical Company
2Department of Chemistry, Payame Noor University, P.O. BOX 19395-4697, Tehran, Iran
Receive Date: 07 October 2017,  Revise Date: 10 December 2017,  Accept Date: 11 December 2018 
Abstract
Aniline, phenol, and their derivatives are widely used in industrial chemicals that consequently have a high potential for environmental pollution. Genetic algorithm and partial least square (GA-PLS), kernel partial least square (GA-KPLS) and Levenberg-Marquardt artificial neural network (L-M ANN) techniques were used to investigate the correlation between chromatographic retention (log k) and descriptors for modelling the toxicity to fathead minnows of anilines and phenols. Descriptors of GA-PLS model were selected as inputs in L-M ANN model. The described model does not require experimental parameters and potentially provides useful prediction for log k of new compounds. Finally a model with a low prediction error and a good correlation coefficient was obtained by L-M ANN. The stability and prediction ability of L-M ANN model was validated using external test set techniques.

Graphical Abstract

Quantitative structure-retention relationships applied to chromatographic retention of ecotoxicity of anilines and phenols
Keywords
Ecotoxicity; Environmental hazard; Phenols; Anilines; Quantitative stature retention relationship
Main Subjects
Analytical chemistry
References

[1]. Sowers A.D., Gaworecki K.M., Mills M.A., Roberts A.P., Klaine S.J. Aquat. Toxicol., 2009, 95:173

[2]. Aruoja V., Sihtmäe M., Kahru A., Dubourguier H. Toxicol. Lett., 2009, 189:192

[3]. Al-Awadhi J.M., Al-Awadhi A.A. J. Arid Environ., 2009, 73:987

[4]. Duchowicz P.R., Giraudo M.A., Castro E.A., Pomilio A.B, Chemom. Intell. Lab. Syst., 2011, 107:384

[5]. Goodarzi M., Chen T., Freitas M.P. Chemom. Intell. Lab. Syst., 2010, 104:260

[6]. Liu T., Nicholls I.A., Oberg T., Anal. Chim. Acta., 2011, 702:37

[7]. Kaliszan R., Wiczling P., Markuszewski M.J., Al-Haj M.A. J. Chromatogr. A., 2011, 1218:5120

[8]. Flieger J. J. Chromatogr. A., 2010, 1217:540

[9]. Bucinski A., Wnuk M., Gorynski K., Giza A., Kochanczyk J., Nowaczyk A., Baczek T., Nasal A. JPharm Biomed Anal., 2009, 50:591

[10]. Lammerhofer M. J. Chromatogr. A., 2010, 1217:814

[11]. Shahpar M., Esmaeilpoor Sh. Asian J. Nano. Mat., 2018, 1:1

[12]. Ren S., Frymier P.D., Schultz T.W., Schultz, Ecotox. Environ. Safe, 2003, 55:86

[13]. Sarıpınar E., Geçen N., Şahin K., Yanmaz  E., Eur. J. Med. Chem., 2010, 45:4157

[14]. Sagrado S., Cronin M.T.D., Anal. Chim. Acta., 2008, 609:169

[15]. Hernández-Caraballo E.A., Rivas F., Pérez A.G., Marcó-Parra L.M. Anal. Chim. Acta., 2005, 533:161

[16]. Gupta V.K., Khani H., Ahmadi-Roudi B., Mirakhorli Sh., Fereyduni E., Agarwal Sh. Talanta, 2011, 83:1014

[17]. Bolanča T., Cerjan-Stefanović S., Regelja M., Regelja H., Lončarić S. J. Chromatogr. A, 2005, 1085:74

[18]. Chamjangali M.A., Beglari M., Bagherian G. J. Mol. Graphics Modell., 2007, 26:360

[19]. Shahpar M., Esmaeilpoor Sh. Asian J. Green Chem., 2017, 129:116

[20]. Jia R., Mao Zh., Chang Y., Zhang Sh, Chemom. Intell. Lab. Syst., 2010, 100:91

[21]. Jalali-Heravi M., Kyani A., Eur. J. Med. Chem., 2007, 42:649

[22]. Noorizadeh H., Noorizadeh M., Med Chem Res., 2013, 11:5442

[23]. Chen H., Anal. Chim. Acta., 2008, 609:24

[24]. Shahpar M., Esmaeilpoor Sh. Chem. Method., 2017, 2:105

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