EEMizer: Automated modeling of fluorescence EEM data

Chemometrics and Intelligent Laboratory Systems

Volumn 106, Issue 1, 2011, Pages 86-92

  Bro, Rasmus ^a   Vidal, Maider ^b  

^a UNIVERSITY OF COPENHAGEN   (Denmark)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

EEM; Fluorescence; Multi way; PARAFAC; Tensor

Indexed keywords

ALGORITHM; ARTICLE; AUTOANALYSIS; CHEMOMETRICS; EEMIZER ALGORITHM; FLUORESCENCE; FLUORESCENCE EXCITATION EMISSION MATRIX; MATHEMATICAL ANALYSIS; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; PARAFAC MODEL; PRIORITY JOURNAL;

EID: 79952439464     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemolab.2010.06.005     Document Type: Article

References (25)

1. Lauridsen R.K., Everland H., Nielsen L.F., Engelsen S.B., Norgaard L. Exploratory multivariate spectroscopic study on human skin. Skin Res. Technol. 2003, 9:137-146.
2. Hagedorn A., Legge R.L., Budman H. Evaluation of spectrofluorometry as a tool for estimation in fed-batch fermentations. Biotechnol. Bioeng. 2003, 83:104-111.
3. Morel E., Santamaria K., Perrier M., Guiot S.R., Tartakovsky B. Application of multi-wavelength fluorometry for on-line monitoring of an anaerobic digestion process. Water Res. 2004, 38:3287-3296.
4. Mortensen P.P., Bro R. Real-time monitoring and chemical profiling of a cultivation process. Chemom. Intell. Lab. Syst. 2006, 84:106-113.
5. Cory R.M., McKnight D.M. Fluorescence spectroscopy reveals ubiquitous presence of oxidized and reduced quinones in dissolved organic matter. Environ. Sci. Technol. 2005, 39:8142-8149.
6. Hall G.J., Kenny J.E. Estuarine water classification using EEM spectroscopy and PARAFAC-SIMCA. Anal. Chim. Acta 2007, 581:118-124.
7. Stedmon C.A., Markager S., Bro R. Tracing dissolved organic matter in aquatic environments using a new approach to fluorescence spectroscopy. Mar. Chem. 2003, 82:239-254.
8. Christensen J., Nørgaard L., Bro R., Engelsen S.B. Multivariate autofluorescence of intact food systems. Chem. Rev. 2006, 106:1979-1994.
9. Koller E., Quehenberger O., Jürgens G., Wolfbeis O.S., Esterbauer H. Investigation of human plasma low density lipoprotein by three-dimensional fluorescence spectroscopy. FEBS Lett. 1986, 198:229-234.
10. Jiji R.D., Cooper G.A., Booksh K.S. Excitation-emission matrix fluorescence based determination of carbamate pesticides and polycyclic aromatic hydrocarbons. Anal. Chim. Acta 1999, 397:61-72.
11. Moberg L., Robertsson G., Karlberg B. Spectrofluorimetric determination of chlorophylls and pheopigments using parallel factor analysis. Talanta 2001, 54:161-170.
12. Alm E., Bro R., Engelsen S.B., Karlberg B., Torgrip R. Vibrational overtone combination spectroscopy (VOCSY)-a new way of using IR and NIR data. Anal. Bioanal. Chem. 2007, 388:179-188.
13. Bro R. Review on multiway analysis in chemistry-2000-2005. Critical Reviews In Analytical Chemistry 2006, 36:279-293.
14. Stedmon C.A., Bro R. Characterizing dissolved organic matter fluorescence with parallel factor analysis: a tutorial. Limnol. Oceanogr. 2008, 6:572-579.
15. Andersen C.M., Bro R. Practical aspects of PARAFAC modelling of fluorescence excitation-emission data. J Chemom 2003, 17:200-215.
16. Kells D.I.C., O'Neil J.D.J., Hofmann T. A method for eliminating Rayleigh scattering from fluorescence spectra. Anal. Biochem. 1984, 139:316-318.
17. Jiji R.D., Booksh K.S. Mitigation of Rayleigh and Raman spectral interferences in multiway calibration of excitation-emission matrix fluorescence spectra. Anal. Chem. 2000, 72:718-725.
18. Thygesen L.G., Rinnan Å., Barsberg S., Møller J.K.S. Stabilizing the PARAFAC decomposition of fluorescence spectra by insertion of zeros outside the data area. Chemom. Intell. Lab. Syst. 2004, 71:97-106.
19. Rinnan A., Andersen C.M. Handling of first-order Rayleigh scatter in PARAFAC modelling of fluorescence excitation-emission data. Chemom. Intell. Lab. Syst. 2005, 76:91-99.
20. Rinnan A., Booksh K., Bro R. First order Rayleigh as a separate component in the decomposition of fluorescence landscapes. Anal. Chim. Acta 2005, 537:349-358.
21. Bahram M., Bro R., Stedmon C.A., Afkhami A. Handling of Rayleigh and Raman scatter for PARAFAC modeling of fluorescence data using interpolation. J Chemom 2007, 20:99-105.
22. Bro R., Kiers H.A.L. A new efficient method for determining the number of components in PARAFAC models. J Chemom 2003, 17:274-286.
23. Harshman R.A., De Sarbo W.S. An application of PARAFAC to a small sample problem, demonstrating preprocessing, orthogonality constraints, and split-half diagnostic techniques. Research Methods for Multimode Data Analysis 1984, 602-642. Praeger Special Studies, New York. H.G. Law, C.W. Snyder, J.A. Hattie, R.P. McDonald (Eds.).
24. Lorho G., Westad F., Bro R. Generalized correlation loadings - extending correlation loadings to congruence and to multi-way models. Chemom. Intell. Lab. Syst. 2006, 84:119-125.
25. Riu J., Bro R. Jack-knife technique for outlier detection and estimation of standard errors in PARAFAC models. Chemom. Intell. Lab. Syst. 2003, 65:35-49.