Application of calibration transfer method exploiting multivariate standardization for detection and quantification of parabens in aquatic environments using gas-mass spectrometry chromatography
Subject Areas :
Maryam
Vosough
1
(. Associate Prof. of Analitical Chemistry, Chemistry and Chemical Engineering Research Center of Iran, Tehran, Iran.)
Maryam
Torbati
2
(M.Sc. Student in Analitical Chemistry, Chemistry and Chemical Engineering Research Center of Iran Tehran, Iran)
Kourosh
Tabar Heydar
3
(Associate Prof. of Analitical Chemistry, Chemistry and Chemical Engineering Research Center of Iran, Tehran, Iran.)
Keywords: Water samples, Solid phase extraction, Gas Chromatography-Mass Spectrometry, Parabens, Calibration transfer,
Abstract :
Parabens are widely used as preservatives in pharmaceuticals, food, and personal care products. Solid phase extraction (SPE) is one of the most frequently used methods for monitoring parabens in aqueous samples. However, SPE is a costly and time consuming method. In this study, the application of piecewise direct standardization (PDS) method for transfer of direct calibration of gas chromatography -mass spectrometry (GC-MS) data to SPE-based calibration and quantification of methyl, ethyl, propyl, and butyl parben derivatives in aqueous environmental samples has been evaluated. In this method, at first, a multivariate model is constructed using different chromatographic regions based on only two subsets of direct and extracted calibration data, and then a transformation matrix is obtained, which in the next step it can correct all direct calibration samples to be matched with SPE-based data. Modeling validation was confirmed using altrernating trilinear decomposition (ATLD) method, and the recovery values were 81-106% and the mean relative prediction error was 2.1-6.4% for validation samples. Finally, modified direct calibration samples were used to detect and predict pollutants (at low µg/l values) in several real water samples.
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_||_
[1] Davidson, P.M; Sofos, J.N.; Branen, A.L.; "Antimicrobials in Food", 3rd Edition, CRC Press, Taylor & Francis, USA , 2005.
[2] Fransway, A.F.; Am. J. Contact Dermat. 2, 145–174, 1991.
[3] Błedzka, D.; Gromadzińska, J.; Wasowicz, W.; Environ. Int. 67, 27–42, 2014.
[4] Boberg, J.; Taxvig, C.; Christiansen, S.; Hass, U.; Reprod. Toxicol. 30, 301–312, 2010.
[5] Bergfeld, W.F.; Belsito, D.V.; Marks, J.G.; Andersen, F.A.; J. Am. Acad. Dermatol. 52, 125–132, 2005.
[6] Villar-Navarro, M.; Moreno-Carballo, M.D.C.; Fernández-Torres, R.; Callejón-Mochón, M.; Bello-López, M.Á.; Anal. Bioanal. Chem. 408, 1615–1621, 2016.
[7] Dulio, V; Bavel, B; Lundén, E; Harmsen, J; Juliane Hollender; Schlabach, M; Slobodnik, J; Environ. Sci. Eur. 30, 1-13, 2018.
[8] Rashvand, M.; Vosough, M.; Anal. Methods. 8, 1898-1907, 2016.
[9] Lee, M.R.; Lin, C.Y.; Li, Z.G.; Tsai, T.F.; J. Chromatogr. A 1120, 244–251, 2006.
[10] Núñez, L.; Tadeo, J.L.; García-Valcárcel, A.I.; Turiel, E.; J. Chromatogr. A 1214, 178-182, 2008.
[11] Mashile, G.; Mpupa, A.; Nomngongo, P.; Molecules 23, 1450-1465, 2018.
[12] Marta-Sanchez, A.V.; Caldas, S.S.; Schneider, A.; Cardoso, S.M.; Prime, E.G.; Environ. Sci. Pollut. Res. 25, 14460–14470, 2018.
[13] Albero, B.; Sánchez-Brunete, C.; Miguel, E.; Pérez, R.A.; Tadeo, J.L.; J. Chromatogr. A 1248, 9–17, 2012.
[14] Jain, R.; Mudiam, M.K.R.; Chauhan, A.; Food Chem. 141, 436–443, 2013.
[15] Awad, T.S.; Moharram, H.A.; Shaltout, O.E.; Asker, D.; Youssef, M.M.; Food Res. Inter. 48, 410–427, 2012.
[16] Ferreira, A.M.; Möder, M.; Fernández Laespadam M.; Anal. Bioanal. Chem. 399, 945-953, 2011.
[17] Lee, H.B.; Peart, T.E.; Svoboda, M.L.; J. Chromatogr. A 1094, 122–129, 2005.
[18] Huang, Y.; Peng, J.; Huang, X.; J. Chromatogr. A 1546, 28-35, 2018.
[19] Starling, M.C.V.M.; Amorim, C.C.; Leão, M.M.D.; J. Hazard. Mater. 372, 17-36, 2019.
[20] Regueiro, J.; Becerril, E.; Garcia-Jares, C.; Llompart, M.; J. Chromatogr. A 1216, 4693-702, 2009.
[21] Prichodko, A.; Janenaite, E.; Smitiene, V.; Vickackaite, V.; Acta Chromatogr. 24, 589–601, 2012.
[22] Feudale, R.N.; Woody, N.A.; Tan, H.; Myles, A.; Brown, S.D.; Chemometr. Intell. Lab. Sys. 64, 181–192, 2002.
[23] Shi, Y.Y.; Li, J.Y.; Chu, X.L.; Chinese J. Anal. Chem. 47, 479–487, 2019.
[24] Escandar, G.M.; Olivieri, A.C.; J. Chromatogr. A 1587, 2-13, 2019.
[25] Ahmadvand, M.; Sereshti, H.; Parastar, H.; J. Chromatogr. A 1413, 117–126, 2015.
[26] Khayamian, T.; Tan, G.H.; Sirhan, A.; Siew, Y.F.; Sajjadi, S,K.; Chemometr. Intell. Lab. Sys. 96, 149–158, 2009.
[27] Wu, H. L.; Shibukawa, M.; Oguma, K.; J. Chemom. 12, 1-26, 1998.
[28] Zhang, Y.; Wu, H.L.; Xia, A.L.; Hu, L.H.; Zou, H.F.; Yu, R.Q.; J. Chromatogr. A 1167, 178–183, 2007.
[29] Wang, Y.; Veltkamp, D.J.; Kowalski, B.R.; Anal. Chem. 63, 2750–2756, 1991.
