Fast chromatography of complex biocide mixtures using diode array detection and multivariate curve resolution

Abstract Use of Multivariate Curve Resolution Alternating Least Squares (MCR-ALS) is evaluated in the analysis of complex biocide environmental sample mixtures by liquid chromatography with diode array detection (LC-DAD). Chromatographic coelution problems caused either because of the presence of unknown matrix interferences or because of using short chromatographic columns to reduce analysis times are investigated. Under such circumstances, lack of chromatographic resolution and lack of spectral selectivity of UV–VIS diode array detection is compensated by chemometric resolution using Multivariate Curve Resolution. Resolution of complex environmental mixtures and quantitative calibration curves for two types of chromatographic columns (25 and 7.5 cm) with different resolution and analysis times are shown. The limits of the proposed approach are investigated in the analysis of complex environmental samples with short LC columns and UV–VIS diode array detection.

[1]  M. Maeder.  Evolving factor analysis for the resolution of overlapping chromatographic peaks , 1987 .

[2]  Romà Tauler,et al.  Application of multivariate self-modeling curve resolution to the quantitation of trace levels of organophosphorus pesticides in natural waters from interlaboratory studies , 1996 .

[3]  R. Tauler.  Multivariate curve resolution applied to second order data , 1995 .

[4]  R. Tauler.  Calculation of maximum and minimum band boundaries of feasible solutions for species profiles obtained by multivariate curve resolution , 2001 .

[5]  W. Windig.  Self-modeling mixture analysis of spectral data with continuous concentration profiles , 1992 .

[6]  H. R. Keller,et al.  Heuristic evolving latent projections: resolving two-way multicomponent data. 2. Detection and resolution of minor constituents , 1992 .

[7]  R. Tauler,et al.  Main findings and conclusions of the implementation of Directive 76/464/CEE concerning the monitoring of organic pollutants in surface waters (Portugal, April 1999-May 2000). , 2001, Journal of environmental monitoring : JEM.

[8]  R. Brereton,et al.  Quantitative resolution of overlapping tailing peaks obtained by diode-array detector high performance liquid chromatography in the absence of pure standards using simple chemical knowledge , 2000 .

[9]  Yi-Zeng Liang,et al.  Subwindow factor analysis , 1999 .

[10]  R. Brereton.  Tutorial review. Deconvolution of mixtures by factor analysis , 1995 .

[11]  R. Tauler,et al.  Multivariate curve resolution applied to liquid chromatography—diode array detection , 1993 .

[12]  Edmund R. Malinowski,et al.  Window factor analysis: Theoretical derivation and application to flow injection analysis data , 1992 .

[13]  Yizeng Liang,et al.  Heuristic evolving latent projections: resolving two-way multicomponent data. 1. Selectivity, latent-projective graph, datascope, local rank, and unique resolution , 1992 .

[14]  Romà Tauler,et al.  Determination of traces of herbicide mixtures in water by on-line solid-phase extraction followed by liquid chromatography with diode-array detection and multivariate self-modelling curve resolution , 1995 .

[15]  Paul Geladi,et al.  Principal Component Analysis , 1987, Comprehensive Chemometrics.

[16]  Gene H. Golub,et al.  Matrix computations , 1983 .

[17]  H. R. Keller,et al.  Peak purity control in liquid chromatography with photodiode-array detection by a fixed size moving window evolving factor analysis , 1991 .

[18]  Paul J. Gemperline,et al.  A priori estimates of the elution profiles of the pure components in overlapped liquid chromatography peaks using target factor analysis , 1984, J. Chem. Inf. Comput. Sci..

[19]  B. Kowalski,et al.  Selectivity, local rank, three‐way data analysis and ambiguity in multivariate curve resolution , 1995 .

[20]  E. Genin,et al.  Application of liquid chromatography with mass spectrometry combined with photodiode array detection and tandem mass spectrometry for monitoring pesticides in surface waters. , 2000, Journal of chromatography. A.

[21]  R. Manne,et al.  Resolution of two-way data from hyphenated chromatography by means of elementary matrix transformations , 2000 .

[22]  D. Barceló,et al.  Simplified procedures for the analysis of polycyclic aromatic hydrocarbons in water, sediments and mussels. , 2004, Journal of chromatography. A.

[23]  A. Ramesh,et al.  Dissipation of alachlor in cotton plant, soil and water and its bioaccumulation in fish. , 2004, Chemosphere.

[24]  M. J. Cerejeira,et al.  Pesticides in Portuguese surface and ground waters. , 2003, Water research.

[25]  D. Barceló,et al.  Monitoring of priority pesticides and other organic pollutants in river water from portugal by gas chromatography-mass spectrometry and liquid chromatography-atmospheric pressure chemical ionization mass spectrometry. , 2000, Journal of chromatography. A.