Optimizing the implementation of the PARAFAC method for near-real time calibration of excitation-emission fluorescence analysis

Journal of Chemometrics

Volumn 17, Issue 11, 2003, Pages 608-617

  Nahorniak, Michelle L ^a   Booksh, Karl S ^a  

^a ARIZONA STATE UNIVERSITY   (United States)

Author keywords

Excitation emission matrix; Experimental design; N way calibration; PARAFAC; Polycyclic aromatic hydrocarbons

Indexed keywords

DATA REDUCTION; FLUORESCENCE; FORECASTING; MATRIX ALGEBRA; POLYCYCLIC AROMATIC HYDROCARBONS; SPECTRAL RESOLUTION;

DATA DENSITY; EXCITATION EMISSION FLUORESCENCE; EXCITATION EMISSION MATRICES; FACTOR ANALYSIS METHOD; FLUORESCENCE ANALYSIS; N-WAY CALIBRATION; NEAR-REAL TIME; PARALLEL FACTOR ANALYSIS; REAL-TIME CALIBRATION; SINGLE EXPOSURE;

CALIBRATION;

BENZO[A]PYRENE; BENZ[A]ANTHRACENE; BENZ[E]ACEPHENANTHRYLENE; POLYCYCLIC AROMATIC HYDROCARBON; UNCLASSIFIED DRUG;

ALGORITHM; ARTICLE; CALIBRATION; CHEMICAL ANALYSIS; FACTORIAL ANALYSIS; FLUORESCENCE; MATHEMATICAL ANALYSIS; MODEL; PARALLEL FACTOR ANALYSIS; POLLUTANT;

EID: 1042279663     PISSN: 08869383     EISSN: None     Source Type: Journal    
DOI: 10.1002/cem.829     Document Type: Article

References (32)

1. El-Alawi YS, McConkey BJ, Dixon DG, Greenberg BM. Measurement of short- and long-term toxicity of polycyclic aromatic hydrocarbons using luminescent bacteria. Ecotoxicol. Environ. Safety 2002; 51: 12-21.
2. Saunders CR, Shockley DC, Knuckles ME. Fluoranthene-induced neurobehavioral toxicity in F-344 rats. Int. J. Toxicol. 2003; 22: 263-276.
3. Futoma DJ, et al. Poly Aromatic Hydrocarbons in Water Systems. CRC Press: Boca Raton, FL, 1981.
4. Wittkamp BL, Hawthorne SB, Tilotta DC. Determination of aromatic compounds in water by solid phase microextraction and ultraviolet absorption spectroscopy. 1. Methodology. Anal. Chem. 1997; 69: 1197-1203.
5. Algarra M, et al. Direct fluorometric analysis of PAHs in water and in urine following liquid solid extraction. J. Fluoresc. 2000; 10: 355-359.
6. Botello AV, et al. Presence of PAHs in coastal environments of the south-east Gulf of Mexico. In Proceedings of the Thirteenth International Symposium on Polynuclear Aromatic Hydrocarbons. Gordon and Breach: Bordeaux, 1991.
7. Hertz HS, et al. Anal. Chem. 1978; 50: 429A.
8. Schulman SG. Fluorescence spectroscopy: where we are and where we're going. In Fluorescence Spectroscopy: New Methods and Applications, Wolfbies OS (ed.). Springer: New York, 1993; 3-12.
9. Reeve Analytical Website. 8200 OEM filter fluorimeter. [Online]. Available: http://www.reeveltd.demon. co.uk/[7 September 2001].
10. Turner Designs Website. TD-4100 oil in water monitor. [Online]. Available: http://www.oilinwatermonitors. com/ [13 February 2002].
11. Johnson DW, Callis JB, Christian GD. Rapid scanning fluorescence spectroscopy. Anal. Chem. 1977; 49: 747A-757A.
12. Warner IM, et al. Analysis of multicomponent fluorescence data. Anal. Chem. 1977; 49: 2155-2159.
13. Muroski AR, Booksh KS, Myrick ML. Single-measurement excitation/emission matrix spectrofluorometer for determination of hydrocarbons in ocean water. 1. Instrumentation and background correction. Anal. Chem. 1996; 68: 3534-3538.
14. Bro R. PARAFAC. Tutorial and applications. Chemometrics Intell. Lab. Syst. 1997; 38: 149-171.
15. Smilde AK. Three-way analyses-problems and prospects. Chemometrics Intell. Lab. Syst. 1992; 15: 143-157.
16. Kruskal JB. Rank, decomposition, and uniqueness for 3-way and N-way arrays. In Multiway Data Analysis, Coppi R, Bolasso S (eds). Elsevier Science: Amsterdam, 1989.
17. Da Silva J, Oliveira CJS. PARAFAC decomposition of three-way kinetic-spectrophotometric spectral matrices corresponding to mixtures of heavy metal ions. Talanta 1999; 49: 889-897.
18. Johnson K, De Juan A, Rutan SC. Three-way data analysis of pollutant degradation profiles monitored using liquid chromatography-diode array detection. J. Chemometrics 1999; 13: 331-341.
19. Crouch SR, Coello S, Maspoch S, Porcel M. Evaluation of classical and three-way multivariate calibration procedures in kinetic-spectrophotometric analysis. Anal. Chim. Acta 2000; 424: 115-126.
20. Beltran J, Ferrer R, Guiteras J. Multivariate calibration of polycyclic aromatic hydrocarbon mixtures from excitation-emission fluorescence spectra. Anal. Chim. Acta 1998; 373: 311-319.
21. Wentzell PD, Nair SS, Guy RD. Three-way analysis of fluorescence spectra of polycyclic aromatic hydrocarbons with quenching by nitromethane. Anal. Chem. 2001; 73: 1408-1415.
22. Muroski AR, Booksh KS, Myrick ML. Single measurement excitation/emission matrix spectrofluorometer for determination of hydrocarbons in ocean water. 2. Calibration and quantitation of naphthalene and styrene. Anal. Chem. 1996; 68: 3539-3544.
23. JiJi RD, Andersson GG, Booksh KS. Application of PARAFAC for calibration with excitation-emission matrix fluorescence spectra of three classes of environmental pollutants. J. Chemometrics 2000; 14: 171-185.
24. Alsberg BK, Kvalheim OM. Compression of Nth-order data arrays by B-splines. 1. Theory. J. Chemometrics 1993; 7: 61-73.
25. Alsberg BK, Nodland E, Kvalheim OM. Compression of Nth-order data arrays by B-splines. 2. Application to 2nd-order FT-IR spectra. J. Chemometrics 1994; 8: 127-145.
26. Bro R, de Jong S. A fast non-negativity-constrained least squares algorithm. J. Chemometrics 1997; 11: 393-401.
27. Bro R, Andersson CA. Improving the speed of multiway algorithms: Part II. Compression. Chemometrics Intell. Lab. Syst. 1998; 42: 105-113.
28. Andersson CA, Bro R. Improving the speed of multiway algorithms: Part I. Tucker3. Chemometrics Intell. Lab. Syst. 1998; 42: 93-103.
29. Golub GH, Van Loan CF. Matrix computations (3rd edn). Johns Hopkins University Press: Baltimore, MD, 1996; 57.
30. JiJi RD, Nahorniak ML, Fruitman E, Booksh KS. Application and calibration of a field portable, excitation-emission matrix fluorometer for analysis of environmental contaminants. Proc SPIE 1999, 3856, 73-82.
31. JiJi RD, Cooper GA, Booksh KS. Excitation-emission matrix fluorescence based determination of carbamate pesticides and polycyclic aromatic hydrocarbons. Anal. Chim. Acta 1999; 397: 61-72.
32. JiJi RD, Booksh KS. Mitigation of Rayleigh and Raman spectral interferences in multiway calibration of excitation-emission matrix fluorescence spectra. Anal. Chem. 2000; 72: 718-725.