PMID- 26319375 OWN - NLM STAT- MEDLINE DCOM- 20160223 LR - 20181202 IS - 1873-3778 (Electronic) IS - 0021-9673 (Linking) VI - 1413 DP - 2015 Sep 25 TI - Chemometric-based determination of polycyclic aromatic hydrocarbons in aqueous samples using ultrasound-assisted emulsification microextraction combined to gas chromatography-mass spectrometry. PG - 117-26 LID - S0021-9673(15)01175-9 [pii] LID - 10.1016/j.chroma.2015.08.026 [doi] AB - In the present research, ultrasonic-assisted emulsification-microextraction (USAEME) coupled with gas chromatography-mass spectrometry (GC-MS) has been proposed for analysis of thirteen environmental protection agency (EPA) polycyclic aromatic hydrocarbons (PAHs) in aqueous samples. Tetrachloroethylene was selected as extraction solvent. The main parameters of USAEME affecting the efficiency of the method were modeled and optimized using a central composite design (CCD). Under the optimum conditions (9muL for extraction solvent, 1.15% (w/v) NaCl (salt concentration) and 10min for ultrasonication time), preconcentration factor (PF) of the PAHs was in the range of 500-950. In order to have a comprehensive analysis, multivariate curve resolution-alternating least squares (MCR-ALS) as a second-order calibration algorithm was used for resolution, identification and quantification of the target PAHs in the presence of uncalibrated interferences. The regression coefficients and relative errors (REs, %) of calibration curves of the PAHs were in the satisfactory range of 0.9971-0.9999 and 1.17-6.59%, respectively. Furthermore, analytical figures of merit (AFOM) for univariate and second-order calibrations were obtained and compared. As an instance, the limit of detections (LODs) of target PAHs were in the range of 1.87-18.9 and 0.89-6.49ngmL(-1) for univariate and second-order calibration, respectively. Finally, the proposed strategy was used for determination of target PAHs in real water samples (tap and hookah waters). The relative recoveries (RR) and the relative standard deviations (RSDs) were 68.4-109.80% and 2.15-6.93%, respectively. It was concluded that combination of multivariate chemometric methods with USAEME-GC-MS can be considered as a new insight for the analysis of target analytes in complex sample matrices. CI - Copyright (c) 2015 Elsevier B.V. All rights reserved. FAU - Ahmadvand, Mohammad AU - Ahmadvand M AD - Department of Chemistry, Faculty of Science, University of Tehran, Tehran, Iran. FAU - Sereshti, Hassan AU - Sereshti H AD - Department of Chemistry, Faculty of Science, University of Tehran, Tehran, Iran. Electronic address: sereshti@ut.ac.ir. FAU - Parastar, Hadi AU - Parastar H AD - Department of Chemistry, Sharif University of Technology, P.O. Box 11155-3516, Tehran, Iran. Electronic address: h.parastar@sharif.edu. LA - eng PT - Journal Article DEP - 20150815 PL - Netherlands TA - J Chromatogr A JT - Journal of chromatography. A JID - 9318488 RN - 0 (Polycyclic Aromatic Hydrocarbons) RN - 0 (Water Pollutants, Chemical) RN - 059QF0KO0R (Water) SB - IM MH - Calibration MH - Gas Chromatography-Mass Spectrometry/methods MH - Limit of Detection MH - Liquid Phase Microextraction MH - Polycyclic Aromatic Hydrocarbons/*analysis MH - Ultrasonic Waves MH - United States MH - Water/*chemistry MH - Water Pollutants, Chemical/*analysis OTO - NOTNLM OT - Central composite design OT - Gas chromatography-mass spectrometry OT - Multivariate curve resolution-alternating least squares OT - Polycyclic aromatic hydrocarbons OT - Ultrasound-assisted emulsification microextraction EDAT- 2015/09/01 06:00 MHDA- 2016/02/26 06:00 CRDT- 2015/08/31 06:00 PHST- 2015/06/17 00:00 [received] PHST- 2015/08/09 00:00 [revised] PHST- 2015/08/12 00:00 [accepted] PHST- 2015/08/31 06:00 [entrez] PHST- 2015/09/01 06:00 [pubmed] PHST- 2016/02/26 06:00 [medline] AID - S0021-9673(15)01175-9 [pii] AID - 10.1016/j.chroma.2015.08.026 [doi] PST - ppublish SO - J Chromatogr A. 2015 Sep 25;1413:117-26. doi: 10.1016/j.chroma.2015.08.026. Epub 2015 Aug 15.