Journal
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS
Volume 132, Issue -, Pages 63-74Publisher
ELSEVIER
DOI: 10.1016/j.chemolab.2014.01.005
Keywords
Polycyclic aromatic hydrocarbons; Fluorescence excitation-emission matrices; PARAFAC; MCR-ALS; U-PLS/RBL
Categories
Funding
- University of the Basque Country (UPV/EHU) [UFI 11/47]
- Spanish Ministry of Science and Innovation (MICINN) [CTM 2010-20607, CSD 2007-00067]
- FEDER
- UPV/EHU
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This work explores the feasibility of screening and determination of ten polycyclic aromatic hydrocarbons (PAHs) through excitation-emission fluorescence matrices (EEMs) and in the presence of interferences by using different second-order data analysis algorithms: parallel factor analysis (PARAFAC), multivariate curve resolution-alternating least squares (MCR-ALS), and unfolded partial least squares coupled to residual bilinearization (U-PLS/RBL). The scope of the proposed techniques is discussed for qualitative and quantitative analysis of the selected PAHs in the presence of interferences and sample matrix effects. The target compounds were 9 of the 16 United States Environmental Protection Agency (US-EPA) priority PAHs: fluoranthene, benzo[a]anthracene, chrysene, benzo [b]fluoranthene, benzo[k]fluoranthene, benzo[a]pyrene, dibenzo[a,h]anthracene, benzo[ghi]perylene, indeno [1,2,3-cd]pyrene, and one internal standard: 2-2' binaphthyl. The suitability of these methods was compared under different chemical situations, where they were demonstrated to be powerful tools to resolve complex mixtures of analytes of similar structure in the presence of unexpected compounds. Qualitative and quantitative analysis of samples required the joint effort of the different algorithms to exploit the advantages of fast screening (PARAFAC and MCR-ALS) and accurate analyte determination (U-PLS/RBL) provided by the different methods. (c) 2014 Elsevier B.V. All rights reserved.
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