A new method for the automated selection of the number of components for deconvolving overlapping chromatographic peaks

Analytica Chimica Acta

Volumn 799, Issue , 2013, Pages 29-35

  Peters, Sonja ^a,b   Janssen, Hans Gerd ^a,b   Vivó Truyols, Gabriel ^b  

^a UNILEVER RESEARCH VLAARDINGEN   (Netherlands)

^b UNIVERSITY OF AMSTERDAM   (Netherlands)

Author keywords

Cross validation; Deconvolution; Multivariate curve resolution; Two dimensional chromatography

Indexed keywords

AUTOMATIC DETERMINATION; CHROMATOGRAPHIC PEAKS; COMPREHENSIVE TWO-DIMENSIONAL; CROSS VALIDATION; DECONVOLUTION METHOD; MULTIVARIATE CURVE RESOLUTION; NUMBER OF COMPONENTS; TWO-DIMENSIONAL CHROMATOGRAPHY;

AUTOMATION; CHROMATOGRAPHIC ANALYSIS; EIGENVALUES AND EIGENFUNCTIONS; GAS CHROMATOGRAPHY;

DECONVOLUTION;

ALGORITHM; ALTERNATING LEAST SQUARE; ANALYTICAL ERROR; ARTICLE; AUTOMATION; CONTROLLED STUDY; CROSS VALIDATION; DECONVOLUTION; MASS FRAGMENTOGRAPHY; MATHEMATICAL MODEL; MATHEMATICAL PHENOMENA; MULTIVARIATE CURVE RESOLUTION; PRIORITY JOURNAL; REGRESSION ANALYSIS; RELIABILITY; STATISTICAL ANALYSIS; VALIDATION STUDY;

EID: 84884709290     PISSN: 00032670     EISSN: 18734324     Source Type: Journal    
DOI: 10.1016/j.aca.2013.08.041     Document Type: Article

References (17)

1. Davis J.M. Anal. Chem. 1991, 63:2141.
2. Fraga C.G., Bruckner C.A., Synovec R.E. Anal. Chem. 2001, 73:675.
3. Sinha A.E., Fraga C.G., Prazen B.J., Synovec R.E. J. Chromatogr. A 2004, 1027:269.
4. Parastar H., Radović J.R., Jalali-Heravi M., Diez S., Bayona J.M., Tauler R. Anal. Chem. 2011, 83:9289.
5. http://chemdata.nist.gov/mass-spc/amdis/downloads.
6. Hoggard J.C., Synovec R.E. Anal. Chem. 2007, 79:1611.
7. Hoggard J.C., Synovec R.E. Anal. Chem. 2008, 80:6677.
8. Vivó-Truyols G., Torres-Lapasió J.R., García-Alvarez-Coque M.C., Schoenmakers P.J. J. Chromatogr. A 2007, 1158:258.
9. Jellema R.H., Krishnan S., Hendriks M.M.W.B., Muilwijk B., Vogels J.T.W.E. Chemom. Intell. Lab. Syst. 2010, 104:132.
10. Tauler R., Kowalski B.R. Anal. Chem. 1993, 65:2040.
11. Parastar H., Jalali-Heravi M., Sereshti H., Mani-Varnosfaderani A. J. Chromatogr. A 2012, 1251:176.
12. Booksh K.S., Kowalski B.R. Anal. Chem. 1994, 66:782A.
13. Hastie T., Tibshirani R., Friedman J. The Elements of Statistical Learning 2009, 241. Springer, (Chapter 7). second ed.
14. Windig W., Guilment J. Anal. Chem. 1991, 63:1425.
15. Jaumot J., Gargallo R., de Juan A., Tauler R. Chemom. Intell. Lab. Syst. 2005, 76:101.
16. Vivó-Truyols G., Ziari M., Magusin P.C.M.M., Schoenmakers P.J. Anal. Chim. Acta 2009, 641:37.
17. Vivó-Truyols G., Schoenmakers P.J. Anal. Chem. 2006, 78:4598.