메뉴 건너뛰기




Volumn 106, Issue 1, 2011, Pages 131-141

Chemometric resolution and quantification of four-way data arising from comprehensive 2D-LC-DAD analysis of human urine

Author keywords

2D liquid chromatography; Alternating least squares; Iterative key set factor analysis; Multivariate curve resolution

Indexed keywords

ALGORITHM; ARTICLE; CHEMOMETRICS; CONCENTRATION (PARAMETERS); CONTROLLED STUDY; DIODE; DIODE ARRAY DETECTION; FACTORIAL ANALYSIS; LIQUID CHROMATOGRAPHY; MULTIVARIATE ANALYSIS; MULTIVARIATE CURVE RESOLUTION; PRIORITY JOURNAL; QUANTITATIVE ANALYSIS; REGRESSION ANALYSIS; TWO DIMENSIONAL LIQUID CHROMATOGRAPHY; URINALYSIS;

EID: 79952451919     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemolab.2010.07.008     Document Type: Article
Times cited : (60)

References (35)
  • 1
    • 39749201053 scopus 로고    scopus 로고
    • Recent advances in comprehensive two-dimensional separations with chemometrics
    • Pierce K.M., Hoggard J.C., Mohler R.E., Synovec R.E. Recent advances in comprehensive two-dimensional separations with chemometrics. J. Chromatogr. A 2008, 1184:341-352.
    • (2008) J. Chromatogr. A , vol.1184 , pp. 341-352
    • Pierce, K.M.1    Hoggard, J.C.2    Mohler, R.E.3    Synovec, R.E.4
  • 4
    • 33745927416 scopus 로고    scopus 로고
    • Fast, comprehensive online two-dimensional high performance liquid chromatography through the use of high temperature ultra-fast gradient elution reversed-phase liquid chromatography
    • Stoll D.R., Cohen J.D., Carr P.W. Fast, comprehensive online two-dimensional high performance liquid chromatography through the use of high temperature ultra-fast gradient elution reversed-phase liquid chromatography. J. Chromatogr. A 2006, 1122:123-137.
    • (2006) J. Chromatogr. A , vol.1122 , pp. 123-137
    • Stoll, D.R.1    Cohen, J.D.2    Carr, P.W.3
  • 6
    • 79952451686 scopus 로고    scopus 로고
    • Mini-metabolomics
    • Gebel E. Mini-metabolomics. Anal. Chem. 2008, 80:3947.
    • (2008) Anal. Chem. , vol.80 , pp. 3947
    • Gebel, E.1
  • 9
    • 2442719174 scopus 로고    scopus 로고
    • Metabonomics technologies and their applications in physiological monitoring, drug safety assessment and disease diagnosis
    • Lindon J.C., Holmes E., Bollard M.E., Stanley E.G., Nicholson J.K. Metabonomics technologies and their applications in physiological monitoring, drug safety assessment and disease diagnosis. Biomarkers 2004, 9:1-31.
    • (2004) Biomarkers , vol.9 , pp. 1-31
    • Lindon, J.C.1    Holmes, E.2    Bollard, M.E.3    Stanley, E.G.4    Nicholson, J.K.5
  • 10
    • 55349129207 scopus 로고    scopus 로고
    • Rapid analysis of pharmaceuticals and excreted xenobiotic and endogenous metabolites with atmospheric pressure infrared maldi mass spectrometry
    • Shrestha B., Li Y., Vertes A. Rapid analysis of pharmaceuticals and excreted xenobiotic and endogenous metabolites with atmospheric pressure infrared maldi mass spectrometry. Metabolomics 2008, 4:297-311.
    • (2008) Metabolomics , vol.4 , pp. 297-311
    • Shrestha, B.1    Li, Y.2    Vertes, A.3
  • 11
    • 58449117420 scopus 로고    scopus 로고
    • Metabolomics in pharmaceutical research and development: metabolites, mechanisms and pathways
    • Xu E.Y., Schaefer W.H., Xu Q.W. Metabolomics in pharmaceutical research and development: metabolites, mechanisms and pathways. Curr. Opin. Drug Discov. Dev. 2009, 12:40-52.
    • (2009) Curr. Opin. Drug Discov. Dev. , vol.12 , pp. 40-52
    • Xu, E.Y.1    Schaefer, W.H.2    Xu, Q.W.3
  • 14
    • 56149090838 scopus 로고    scopus 로고
    • Development and validation of a gas chromatography/mass spectrometry metabonomics platform for the global profiling of urinary metabolites
    • Pasikanti K.K., Ho P.C., Chan E.C.Y. Development and validation of a gas chromatography/mass spectrometry metabonomics platform for the global profiling of urinary metabolites. Rapid Commun. Mass Spectrom. 2008, 22:2984-2992.
    • (2008) Rapid Commun. Mass Spectrom. , vol.22 , pp. 2984-2992
    • Pasikanti, K.K.1    Ho, P.C.2    Chan, E.C.Y.3
  • 15
    • 33845576286 scopus 로고    scopus 로고
    • Multidimensional capillary array liquid chromatography and matrix-assisted laser desorption/ionization tandem mass spectrometry for high-throughput proteomic analysis
    • Liu C.L., Zhang X. Multidimensional capillary array liquid chromatography and matrix-assisted laser desorption/ionization tandem mass spectrometry for high-throughput proteomic analysis. J. Chromatogr. A 2007, 1139:191-199.
    • (2007) J. Chromatogr. A , vol.1139 , pp. 191-199
    • Liu, C.L.1    Zhang, X.2
  • 16
    • 27944474695 scopus 로고    scopus 로고
    • Comprehensive two-dimensional chromatography with on-line Fourier-transform-infrared-spectroscopy detection for the characterization of copolymers
    • Kok S.J., Hankemeier T.H., Schomakers P.J. Comprehensive two-dimensional chromatography with on-line Fourier-transform-infrared-spectroscopy detection for the characterization of copolymers. J. Chromatogr. A 2005, 1098:104-110.
    • (2005) J. Chromatogr. A , vol.1098 , pp. 104-110
    • Kok, S.J.1    Hankemeier, T.H.2    Schomakers, P.J.3
  • 17
    • 33748679894 scopus 로고    scopus 로고
    • Comprehensive two-dimensional liquid chromatography-time-of-flight mass spectrometry in the analysis of acidic compounds in atmospheric aerosols
    • Pol J., Hohnova B., Jussila M., Hyotylainen T. Comprehensive two-dimensional liquid chromatography-time-of-flight mass spectrometry in the analysis of acidic compounds in atmospheric aerosols. J. Chromatogr. A 2006, 1130:64-71.
    • (2006) J. Chromatogr. A , vol.1130 , pp. 64-71
    • Pol, J.1    Hohnova, B.2    Jussila, M.3    Hyotylainen, T.4
  • 18
    • 77953542014 scopus 로고    scopus 로고
    • A study of the precision and accuracy of peak quantification in comprehensive liquid chromatography in time
    • Thekkudan D., Rutan S.C. A study of the precision and accuracy of peak quantification in comprehensive liquid chromatography in time. J. Chromatogr. A 2010, 1217:4313-4327.
    • (2010) J. Chromatogr. A , vol.1217 , pp. 4313-4327
    • Thekkudan, D.1    Rutan, S.C.2
  • 19
    • 34250615145 scopus 로고    scopus 로고
    • Development of an algorithm for peak detection in comprehensive two-dimensional chromatography
    • Peters S., Vivo-Truyols G., Marriott P.J., Schoenmakers P.J. Development of an algorithm for peak detection in comprehensive two-dimensional chromatography. J. Chromatogr. A 2007, 1156:14-24.
    • (2007) J. Chromatogr. A , vol.1156 , pp. 14-24
    • Peters, S.1    Vivo-Truyols, G.2    Marriott, P.J.3    Schoenmakers, P.J.4
  • 20
    • 49049113734 scopus 로고    scopus 로고
    • Quantification in comprehensive two-dimensional liquid chromatography
    • Mondello M., Herrero M., Kumm T., Dugo P., Cortes H., Dugo G. Quantification in comprehensive two-dimensional liquid chromatography. Anal. Chem. 2008, 80:5418-5424.
    • (2008) Anal. Chem. , vol.80 , pp. 5418-5424
    • Mondello, M.1    Herrero, M.2    Kumm, T.3    Dugo, P.4    Cortes, H.5    Dugo, G.6
  • 21
    • 62749200490 scopus 로고    scopus 로고
    • Smart templates for peak pattern matching with comprehensive two-dimensional liquid chromatography
    • Reichenbach S.E., Carr P.W., Stoll D.R., Tao Q. Smart templates for peak pattern matching with comprehensive two-dimensional liquid chromatography. J. Chromatogr. A 2009, 1216:3458-3466.
    • (2009) J. Chromatogr. A , vol.1216 , pp. 3458-3466
    • Reichenbach, S.E.1    Carr, P.W.2    Stoll, D.R.3    Tao, Q.4
  • 22
    • 68849123081 scopus 로고    scopus 로고
    • Peak modeling approach to accurate assignment of first-dimension retention times in comprehensive two-dimensional chromatography
    • Adcock J.L., Adams M., Mitrevski B.S., Marriott P.J. Peak modeling approach to accurate assignment of first-dimension retention times in comprehensive two-dimensional chromatography. Anal. Chem. 2009, 81:6797-6804.
    • (2009) Anal. Chem. , vol.81 , pp. 6797-6804
    • Adcock, J.L.1    Adams, M.2    Mitrevski, B.S.3    Marriott, P.J.4
  • 23
    • 0035965709 scopus 로고    scopus 로고
    • Multivariate curve resolution with non-linear fitting of kinetic profiles
    • Bezemer E., Rutan S.C. Multivariate curve resolution with non-linear fitting of kinetic profiles. Chemom. Intell. Lab. Sys. 2001, 59:19-31.
    • (2001) Chemom. Intell. Lab. Sys. , vol.59 , pp. 19-31
    • Bezemer, E.1    Rutan, S.C.2
  • 24
    • 0142071013 scopus 로고    scopus 로고
    • Mutual peak matching in a series of HPLC-DAD mixture analyses
    • Bogomolov A., McBrien M. Mutual peak matching in a series of HPLC-DAD mixture analyses. Anal. Chim. Acta 2003, 490:41-58.
    • (2003) Anal. Chim. Acta , vol.490 , pp. 41-58
    • Bogomolov, A.1    McBrien, M.2
  • 26
    • 0037784001 scopus 로고    scopus 로고
    • Comparison of several curve resolution methods for drug impurity profiling using HPLC-DAD
    • van Zomeren P.V., Darwinkel H., Coenegracht P.M.J., de Jong G.J. Comparison of several curve resolution methods for drug impurity profiling using HPLC-DAD. Anal. Chim. Acta 2003, 487:155-170.
    • (2003) Anal. Chim. Acta , vol.487 , pp. 155-170
    • van Zomeren, P.V.1    Darwinkel, H.2    Coenegracht, P.M.J.3    de Jong, G.J.4
  • 27
    • 0001809596 scopus 로고
    • Preferred set selection by iterative key set factor analysis
    • Schostack K.J., Malinowski E.R. Preferred set selection by iterative key set factor analysis. Chemom. Intell. Lab. Sys. 1989, 6:21-29.
    • (1989) Chemom. Intell. Lab. Sys. , vol.6 , pp. 21-29
    • Schostack, K.J.1    Malinowski, E.R.2
  • 28
    • 0000461943 scopus 로고    scopus 로고
    • Automatic window factor analysis - a more efficient method for determining concentration profiles from evolutionary spectra
    • Malinowski E.R. Automatic window factor analysis - a more efficient method for determining concentration profiles from evolutionary spectra. J. Chemom. 1996, 10:273-279.
    • (1996) J. Chemom. , vol.10 , pp. 273-279
    • Malinowski, E.R.1
  • 29
    • 0032076055 scopus 로고    scopus 로고
    • Comparison between the direct trilinear decomposition and the multivariate resolution-alternating least squares methods for the resolution of three-way data sets
    • De Juan A., Rutan S.C., Tauler R., Massart D.L. Comparison between the direct trilinear decomposition and the multivariate resolution-alternating least squares methods for the resolution of three-way data sets. Chemom. Intell. Lab. Sys. 1998, 40:19-32.
    • (1998) Chemom. Intell. Lab. Sys. , vol.40 , pp. 19-32
    • De Juan, A.1    Rutan, S.C.2    Tauler, R.3    Massart, D.L.4
  • 30
    • 33644839183 scopus 로고    scopus 로고
    • Analysis of three- and four-way data using multivariate curve resolution-alternating least squares with global multi-way kinetic fitting
    • Bezemer E., Rutan S.C. Analysis of three- and four-way data using multivariate curve resolution-alternating least squares with global multi-way kinetic fitting. Chemom. Intell. Lab. Sys. 2006, 81:82-93.
    • (2006) Chemom. Intell. Lab. Sys. , vol.81 , pp. 82-93
    • Bezemer, E.1    Rutan, S.C.2
  • 31
    • 67249117438 scopus 로고    scopus 로고
    • Quantification in comprehensive two-dimensional liquid chromatography
    • Reichenbach S.E. Quantification in comprehensive two-dimensional liquid chromatography. Anal. Chem. 2009, 81:5099-5101.
    • (2009) Anal. Chem. , vol.81 , pp. 5099-5101
    • Reichenbach, S.E.1
  • 32
    • 41149121749 scopus 로고    scopus 로고
    • Comparison of the practical resolving power of one- and two-dimensional HPLC analysis of metabolomic samples
    • Stoll D.R., Wang X., Carr P.W. Comparison of the practical resolving power of one- and two-dimensional HPLC analysis of metabolomic samples. Anal. Chem. 2008, 80:268-278.
    • (2008) Anal. Chem. , vol.80 , pp. 268-278
    • Stoll, D.R.1    Wang, X.2    Carr, P.W.3
  • 33
    • 0030845462 scopus 로고    scopus 로고
    • Assessment of new constraints applied to the alternating least squares method
    • De Juan A., Vander Heydan Y., Tauler R., Massart D.L. Assessment of new constraints applied to the alternating least squares method. Anal. Chim. Acta 1997, 346:307-318.
    • (1997) Anal. Chim. Acta , vol.346 , pp. 307-318
    • De Juan, A.1    Vander Heydan, Y.2    Tauler, R.3    Massart, D.L.4
  • 34
    • 70349655455 scopus 로고    scopus 로고
    • Toward automated peak resolution in complete GCx GC-ToFMS chromatograms by parafac
    • Hoggard J.C., Siegler W.C., Synovec R.E. Toward automated peak resolution in complete GCx GC-ToFMS chromatograms by parafac. J. Chemom. 2009, 23:421-431.
    • (2009) J. Chemom. , vol.23 , pp. 421-431
    • Hoggard, J.C.1    Siegler, W.C.2    Synovec, R.E.3
  • 35
    • 74949126404 scopus 로고    scopus 로고
    • Probability of failure of the watershed algorithm for peak detection in comprehensive two-dimensional chromatography
    • vivo-Truyols G., Janssen H.-G. Probability of failure of the watershed algorithm for peak detection in comprehensive two-dimensional chromatography. J. Chromatogr. A 2010, 1217:1375-1385.
    • (2010) J. Chromatogr. A , vol.1217 , pp. 1375-1385
    • vivo-Truyols, G.1    Janssen, H.-G.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.