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Volumn 102, Issue 2, 2010, Pages 100-109

Visible/near infrared-partial least-squares analysis of Brix in sugar cane juice. A test field for variable selection methods

Author keywords

Brix degrees; Partial least squares; Sugar cane juice analysis; Variable selection; Vis NIR spectroscopy

Indexed keywords

ALGORITHM; ARTICLE; BRIX DEGREES; CALCULATION; CHEMICAL PARAMETERS; DATA ANALYSIS; FRUIT JUICE; GENETIC ALGORITHM; MEASUREMENT; NEAR INFRARED SPECTROSCOPY; PARTIAL LEAST SQUARES REGRESSION; PRIORITY JOURNAL; SIMULATION; SPECTRAL SENSITIVITY; SUGARCANE;

EID: 77953616316     PISSN: 01697439     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemolab.2010.04.009     Document Type: Article
Times cited : (81)

References (51)
  • 2
    • 84882465645 scopus 로고    scopus 로고
    • Variable selection
    • Elsevier, Amsterdam, S.D. Brown, R. Tauler, B. Walczak (Eds.)
    • Galvao R.K.H., Araujo M.C.U. Variable selection. Comprehensive Chemometrics 2009, vol. 3:233. Elsevier, Amsterdam. S.D. Brown, R. Tauler, B. Walczak (Eds.).
    • (2009) Comprehensive Chemometrics , vol.3 , pp. 233
    • Galvao, R.K.H.1    Araujo, M.C.U.2
  • 3
    • 0030859519 scopus 로고    scopus 로고
    • Genetic algorithms as a method for variable selection in PLS regression, with applications to pyrolysis mass spectrometry
    • Broadhurst D., Goodacre R., Jones A., Rowland J.J., Kell D.B. Genetic algorithms as a method for variable selection in PLS regression, with applications to pyrolysis mass spectrometry. Anal. Chim. Acta 1997, 348:71-86.
    • (1997) Anal. Chim. Acta , vol.348 , pp. 71-86
    • Broadhurst, D.1    Goodacre, R.2    Jones, A.3    Rowland, J.J.4    Kell, D.B.5
  • 4
    • 0032215304 scopus 로고    scopus 로고
    • Genetic algorithm-based wavelength selection for the near-infrared determination of glucose in biological matrixes: initialization strategies and effects of spectral resolution
    • Ding Q., Small G.W., Arnold M.A. Genetic algorithm-based wavelength selection for the near-infrared determination of glucose in biological matrixes: initialization strategies and effects of spectral resolution. Anal. Chem. 1998, 70:4472-4479.
    • (1998) Anal. Chem. , vol.70 , pp. 4472-4479
    • Ding, Q.1    Small, G.W.2    Arnold, M.A.3
  • 5
    • 0032871360 scopus 로고    scopus 로고
    • GA strategy for variable selection in QSAR studies: enhancement of comparative molecular binding energy analysis by GA-based PLS method
    • Hasegawa K., Kimura T., Funatsu K. GA strategy for variable selection in QSAR studies: enhancement of comparative molecular binding energy analysis by GA-based PLS method. Quant. Struct. Act. Relat. 1999, 18:262-272.
    • (1999) Quant. Struct. Act. Relat. , vol.18 , pp. 262-272
    • Hasegawa, K.1    Kimura, T.2    Funatsu, K.3
  • 6
    • 0030333180 scopus 로고    scopus 로고
    • Genetic algorithm-based method for selecting wavelengths and model size for use with partial least-squares regression: application to near-infrared spectroscopy
    • Bangalore A.S., Shaffer R.E., Small G.W. Genetic algorithm-based method for selecting wavelengths and model size for use with partial least-squares regression: application to near-infrared spectroscopy. Anal. Chem. 1996, 68:4200-4212.
    • (1996) Anal. Chem. , vol.68 , pp. 4200-4212
    • Bangalore, A.S.1    Shaffer, R.E.2    Small, G.W.3
  • 7
    • 0003188418 scopus 로고    scopus 로고
    • Theoretical justification of wavelength selection in PLS calibration: development of a new algorithm
    • Spiegelman C.H., McShane M.J., Goetz M.J., Motamedi M., Yue Q.L., Coté G.L. Theoretical justification of wavelength selection in PLS calibration: development of a new algorithm. Anal. Chem. 1998, 70:35-44.
    • (1998) Anal. Chem. , vol.70 , pp. 35-44
    • Spiegelman, C.H.1    McShane, M.J.2    Goetz, M.J.3    Motamedi, M.4    Yue, Q.L.5    Coté, G.L.6
  • 8
    • 0035965455 scopus 로고    scopus 로고
    • Comparison of selection methods of explanatory variables in PLS regression with application to manufacturing process data
    • Gauchi J.-P., Chagnon P. Comparison of selection methods of explanatory variables in PLS regression with application to manufacturing process data. Chemometr. Intell. Lab. Syst. 2001, 58:171-193.
    • (2001) Chemometr. Intell. Lab. Syst. , vol.58 , pp. 171-193
    • Gauchi, J.-P.1    Chagnon, P.2
  • 10
    • 0001594118 scopus 로고
    • Nonlinear multivariate calibration using principal components regression and artificial neural networks
    • Gemperline P.J., Long J.R., Gregoriou V.G. Nonlinear multivariate calibration using principal components regression and artificial neural networks. Anal. Chem. 1991, 63:2313-2323.
    • (1991) Anal. Chem. , vol.63 , pp. 2313-2323
    • Gemperline, P.J.1    Long, J.R.2    Gregoriou, V.G.3
  • 12
    • 21244436700 scopus 로고    scopus 로고
    • Performance of some variable selection methods when multicollinearity is present
    • Chong I.-G., Jun C.-H. Performance of some variable selection methods when multicollinearity is present. Chemometr. Intell. Lab. Syst. 2005, 78:103-112.
    • (2005) Chemometr. Intell. Lab. Syst. , vol.78 , pp. 103-112
    • Chong, I.-G.1    Jun, C.-H.2
  • 13
    • 0025484884 scopus 로고
    • Qualitative information from multivariate calibration models
    • Seasholtz M.B., Kowalski B.R. Qualitative information from multivariate calibration models. Appl. Spectrosc. 1990, 44:1337-1348.
    • (1990) Appl. Spectrosc. , vol.44 , pp. 1337-1348
    • Seasholtz, M.B.1    Kowalski, B.R.2
  • 15
    • 0035007969 scopus 로고    scopus 로고
    • Interpretation of regression coefficients under a latent variable regression model
    • Burnham A.J., MacGregor J.F., Viveros R. Interpretation of regression coefficients under a latent variable regression model. J. Chemometr. 2001, 15:265-284.
    • (2001) J. Chemometr. , vol.15 , pp. 265-284
    • Burnham, A.J.1    MacGregor, J.F.2    Viveros, R.3
  • 16
    • 63049100737 scopus 로고    scopus 로고
    • Critical factors limiting the interpretation of regression vectors in multivariate calibration
    • Brown C.D., Green R.L. Critical factors limiting the interpretation of regression vectors in multivariate calibration. Trends Anal. Chem. 2009, 28:506-514.
    • (2009) Trends Anal. Chem. , vol.28 , pp. 506-514
    • Brown, C.D.1    Green, R.L.2
  • 17
    • 84984336225 scopus 로고
    • Interactive variable selection (IVS) for PLS. Part 1: theory and algorithms
    • Lindgren F., Geladi P., Rännar S., Wold S. Interactive variable selection (IVS) for PLS. Part 1: theory and algorithms. J. Chemometr. 1994, 8:349-363.
    • (1994) J. Chemometr. , vol.8 , pp. 349-363
    • Lindgren, F.1    Geladi, P.2    Rännar, S.3    Wold, S.4
  • 18
    • 58549092572 scopus 로고    scopus 로고
    • Sorting variables by using informative vectors as a strategy for feature selection in multivariate regression
    • Teófilo R.F., Martins J.P.A., Ferreira M.M.C. Sorting variables by using informative vectors as a strategy for feature selection in multivariate regression. J. Chemometr. 2009, 23:32-48.
    • (2009) J. Chemometr. , vol.23 , pp. 32-48
    • Teófilo, R.F.1    Martins, J.P.A.2    Ferreira, M.M.C.3
  • 19
    • 0033905297 scopus 로고    scopus 로고
    • Interval partial least-squares regression (iPLS): a comparative chemometric study with an example from near-infrared spectroscopy
    • Nørgaard L., Saudland A., Wagner J., Nielsen J.P., Munck L., Engelsen S.B. Interval partial least-squares regression (iPLS): a comparative chemometric study with an example from near-infrared spectroscopy. Appl. Spectrosc. 2000, 54:413-419.
    • (2000) Appl. Spectrosc. , vol.54 , pp. 413-419
    • Nørgaard, L.1    Saudland, A.2    Wagner, J.3    Nielsen, J.P.4    Munck, L.5    Engelsen, S.B.6
  • 20
    • 0032988145 scopus 로고    scopus 로고
    • Wavelength selection by net analyte signals calculated with the multivariate factor-based hybrid linear analysis (HLA). A theoretical and experimental comparison with partial least-squares (PLS)
    • Goicoechea H.C., Olivieri A.C. Wavelength selection by net analyte signals calculated with the multivariate factor-based hybrid linear analysis (HLA). A theoretical and experimental comparison with partial least-squares (PLS). Analyst 1999, 124:725-731.
    • (1999) Analyst , vol.124 , pp. 725-731
    • Goicoechea, H.C.1    Olivieri, A.C.2
  • 21
    • 0347482406 scopus 로고    scopus 로고
    • Spectral regions selection to improve prediction ability of PLS models by changeable size moving window partial least squares and searching combination moving window partial least squares
    • Du Y.P., Liang Y.Z., Jiang J.H., Berry R.J., Ozaki Y. Spectral regions selection to improve prediction ability of PLS models by changeable size moving window partial least squares and searching combination moving window partial least squares. Anal. Chim. Acta 2004, 501:183-191.
    • (2004) Anal. Chim. Acta , vol.501 , pp. 183-191
    • Du, Y.P.1    Liang, Y.Z.2    Jiang, J.H.3    Berry, R.J.4    Ozaki, Y.5
  • 22
    • 43049123764 scopus 로고    scopus 로고
    • Automated wavelength selection for spectroscopic fuel models by symmetrically contracting repeated unmoving window partial least squares
    • Cramer J.A., Kramer K.E., Johnson K.J., Morris R.E., Rose-Pehrsson S.L. Automated wavelength selection for spectroscopic fuel models by symmetrically contracting repeated unmoving window partial least squares. Chemometr. Intell. Lab. Syst. 2008, 92:13-21.
    • (2008) Chemometr. Intell. Lab. Syst. , vol.92 , pp. 13-21
    • Cramer, J.A.1    Kramer, K.E.2    Johnson, K.J.3    Morris, R.E.4    Rose-Pehrsson, S.L.5
  • 23
    • 0037150785 scopus 로고    scopus 로고
    • Variable selection for multivariate calibration using a genetic algorithm: prediction of additive concentrations in polymer films from Fourier transform-infrared spectral data
    • Leardi R., Seasholtz M.B., Pell R.J. Variable selection for multivariate calibration using a genetic algorithm: prediction of additive concentrations in polymer films from Fourier transform-infrared spectral data. Anal. Chim. Acta 2002, 461:189-200.
    • (2002) Anal. Chim. Acta , vol.461 , pp. 189-200
    • Leardi, R.1    Seasholtz, M.B.2    Pell, R.J.3
  • 24
    • 0345019845 scopus 로고    scopus 로고
    • Genetic algorithms applied to feature selection in PLS regression: how and when to use them
    • Leardi R., Lupiáñez González A. Genetic algorithms applied to feature selection in PLS regression: how and when to use them. Chemometr. Intell. Lab. Syst. 1998, 41:195-207.
    • (1998) Chemometr. Intell. Lab. Syst. , vol.41 , pp. 195-207
    • Leardi, R.1    Lupiáñez González, A.2
  • 25
    • 0036757852 scopus 로고    scopus 로고
    • Wavelength selection for multivariate calibration using a genetic algorithm: a novel initialization strategy
    • Goicoechea H.C., Olivieri A.C. Wavelength selection for multivariate calibration using a genetic algorithm: a novel initialization strategy. J. Chem. Inf. Comp. Sci. 2002, 42:1146-1153.
    • (2002) J. Chem. Inf. Comp. Sci. , vol.42 , pp. 1146-1153
    • Goicoechea, H.C.1    Olivieri, A.C.2
  • 26
    • 4243096080 scopus 로고    scopus 로고
    • A new genetic algorithm applied to the near-infrared analysis of gasolines
    • Boschetti C.E., Olivieri A.C. A new genetic algorithm applied to the near-infrared analysis of gasolines. J. NIR Spectrosc. 2004, 12:85-91.
    • (2004) J. NIR Spectrosc. , vol.12 , pp. 85-91
    • Boschetti, C.E.1    Olivieri, A.C.2
  • 27
    • 0042318560 scopus 로고    scopus 로고
    • A new family of genetic algorithms for wavelength interval selection in multivariate analytical spectroscopy
    • Goicoechea H.C., Olivieri A.C. A new family of genetic algorithms for wavelength interval selection in multivariate analytical spectroscopy. J. Chemometr. 2003, 17:338-345.
    • (2003) J. Chemometr. , vol.17 , pp. 338-345
    • Goicoechea, H.C.1    Olivieri, A.C.2
  • 29
    • 0024738079 scopus 로고
    • Global optimization by simulated annealing with wavelength selection for ultraviolet-visible spectrophotometry
    • Kalivas J.H., Roberts N., Sutter J.M. Global optimization by simulated annealing with wavelength selection for ultraviolet-visible spectrophotometry. Anal. Chem. 1989, 61:2024-2030.
    • (1989) Anal. Chem. , vol.61 , pp. 2024-2030
    • Kalivas, J.H.1    Roberts, N.2    Sutter, J.M.3
  • 31
    • 0032214377 scopus 로고
    • Development of a universal algorithm for use of NIR in estimation of soluble solids in fruit juices
    • Chang W.H., Chen S., Tsai C.C. Development of a universal algorithm for use of NIR in estimation of soluble solids in fruit juices. Trans. ASAE 1988, 41:1739-1745.
    • (1988) Trans. ASAE , vol.41 , pp. 1739-1745
    • Chang, W.H.1    Chen, S.2    Tsai, C.C.3
  • 32
    • 34247543471 scopus 로고    scopus 로고
    • Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy
    • Valderrama P., Braga J.W.B., Poppi R.J. Validation of multivariate calibration models in the determination of sugar cane quality parameters by near infrared spectroscopy. J. Braz. Chem. Soc. 2007, 18:259-266.
    • (2007) J. Braz. Chem. Soc. , vol.18 , pp. 259-266
    • Valderrama, P.1    Braga, J.W.B.2    Poppi, R.J.3
  • 33
    • 0042967613 scopus 로고    scopus 로고
    • Rapid determination of invert cane sugar adulteration in honey using FTIR spectroscopy and multivariate analysis
    • Irudayaraj J., Xu F., Tewari J.J. Rapid determination of invert cane sugar adulteration in honey using FTIR spectroscopy and multivariate analysis. J. Food Sci. 2003, 68:2040-2045.
    • (2003) J. Food Sci. , vol.68 , pp. 2040-2045
    • Irudayaraj, J.1    Xu, F.2    Tewari, J.J.3
  • 34
    • 0034794083 scopus 로고    scopus 로고
    • Fourier transform infrared spectroscopy for Kona coffee authentication
    • Sivakesava S., Irudayaraj J. Fourier transform infrared spectroscopy for Kona coffee authentication. J. Food Sci. 2001, 66:972-978.
    • (2001) J. Food Sci. , vol.66 , pp. 972-978
    • Sivakesava, S.1    Irudayaraj, J.2
  • 35
    • 1142273549 scopus 로고    scopus 로고
    • Direct near infrared analysis of sugar cane clear juice using a fibre-optic transmittance probe
    • Tewari J., Mehrotra R., Irudayaraj J. Direct near infrared analysis of sugar cane clear juice using a fibre-optic transmittance probe. J. Near Infrared Spectrosc. 2003, 11:351-356.
    • (2003) J. Near Infrared Spectrosc. , vol.11 , pp. 351-356
    • Tewari, J.1    Mehrotra, R.2    Irudayaraj, J.3
  • 36
    • 0001487866 scopus 로고    scopus 로고
    • Application of near infrared spectroscopy in the sugar industry
    • Salgo A., Nagy J., Mikó É. Application of near infrared spectroscopy in the sugar industry. J. Near Infrared Spectrosc. 1998, 6:A101-A106.
    • (1998) J. Near Infrared Spectrosc. , vol.6
    • Salgo, A.1    Nagy, J.2    Mikó, É.3
  • 37
    • 14844320784 scopus 로고    scopus 로고
    • PLS pruning: a new approach to variable selection for multivariate calibration based on Hessian matrix of errors
    • Lima S.L.T., Mello C., Poppi R.J. PLS pruning: a new approach to variable selection for multivariate calibration based on Hessian matrix of errors. Chemometr. Intell. Lab. Syst. 2005, 76:73-78.
    • (2005) Chemometr. Intell. Lab. Syst. , vol.76 , pp. 73-78
    • Lima, S.L.T.1    Mello, C.2    Poppi, R.J.3
  • 39
    • 84882554716 scopus 로고    scopus 로고
    • Validation and error
    • Elsevier, Amsterdam, S. Brown, R. Tauler, B. Walczak (Eds.)
    • Olivieri A.C., Faber N.M. Validation and error. Comprehensive Chemometrics 2009, vol. 3:91-120. Elsevier, Amsterdam. S. Brown, R. Tauler, B. Walczak (Eds.).
    • (2009) Comprehensive Chemometrics , vol.3 , pp. 91-120
    • Olivieri, A.C.1    Faber, N.M.2
  • 40
    • 0000079353 scopus 로고    scopus 로고
    • Propagation of measurement errors for the validation of predictions obtained by principal component regression and partial least squares
    • Faber K., Kowalski B.R. Propagation of measurement errors for the validation of predictions obtained by principal component regression and partial least squares. J. Chemometr. 1997, 11:181-238.
    • (1997) J. Chemometr. , vol.11 , pp. 181-238
    • Faber, K.1    Kowalski, B.R.2
  • 41
    • 0037191668 scopus 로고    scopus 로고
    • Uncertainty estimation for multivariate regression coefficients
    • Faber N.M. Uncertainty estimation for multivariate regression coefficients. Chemometr. Intell. Lab. Syst. 2002, 64:169-179.
    • (2002) Chemometr. Intell. Lab. Syst. , vol.64 , pp. 169-179
    • Faber, N.M.1
  • 42
    • 0027530250 scopus 로고
    • SIMPLS: an alternative approach to partial least squares regression
    • de Jong S. SIMPLS: an alternative approach to partial least squares regression. Chemometr. Intell. Lab. Syst. 1993, 18:251-263.
    • (1993) Chemometr. Intell. Lab. Syst. , vol.18 , pp. 251-263
    • de Jong, S.1
  • 43
    • 33745855877 scopus 로고    scopus 로고
    • The asymptotic variance of the univariate PLS estimator
    • Phatak A., Reilly P.M., Penlidis A. The asymptotic variance of the univariate PLS estimator. Linear Algebra Appl. 2002, 354:245-253.
    • (2002) Linear Algebra Appl. , vol.354 , pp. 245-253
    • Phatak, A.1    Reilly, P.M.2    Penlidis, A.3
  • 44
    • 55549111173 scopus 로고    scopus 로고
    • New cut-off criterion for uninformative variable elimination in multivariate calibration of near-infrared spectra for the determination of heroin in illicit street drugs
    • Moros J., Kuligowski J., Quintás G., Garrigues S., de la Guardia M. New cut-off criterion for uninformative variable elimination in multivariate calibration of near-infrared spectra for the determination of heroin in illicit street drugs. Anal. Chim. Acta 2008, 630:150-160.
    • (2008) Anal. Chim. Acta , vol.630 , pp. 150-160
    • Moros, J.1    Kuligowski, J.2    Quintás, G.3    Garrigues, S.4    de la Guardia, M.5
  • 45
    • 0024034712 scopus 로고
    • Partial least-squares methods for spectral analyses. 1. Relation to other quantitative calibration methods and the extraction of qualitative information
    • Haaland D.M., Thomas E.V. Partial least-squares methods for spectral analyses. 1. Relation to other quantitative calibration methods and the extraction of qualitative information. Anal. Chem. 1988, 60:1193-1202.
    • (1988) Anal. Chem. , vol.60 , pp. 1193-1202
    • Haaland, D.M.1    Thomas, E.V.2
  • 47
    • 0036464756 scopus 로고    scopus 로고
    • The particle swarm - explosion, stability, and convergence in a multidimensional complex space
    • Clerc M., Kennedy J. The particle swarm - explosion, stability, and convergence in a multidimensional complex space. IEEE Trans. Evol. Comput. 2002, 6:58-73.
    • (2002) IEEE Trans. Evol. Comput. , vol.6 , pp. 58-73
    • Clerc, M.1    Kennedy, J.2
  • 48
    • 0022059848 scopus 로고
    • Linearization and scatter-correction for near-infrared reflectance spectra of meat
    • Geladi P., MacDougall D., Martens H. Linearization and scatter-correction for near-infrared reflectance spectra of meat. Appl. Spectrosc. 1985, 39:491-500.
    • (1985) Appl. Spectrosc. , vol.39 , pp. 491-500
    • Geladi, P.1    MacDougall, D.2    Martens, H.3
  • 49
    • 0024701578 scopus 로고
    • Standard normal variate transformation and de-trending of near-infrared diffuse reflectance spectra
    • Barnes R.J., Dhanoa M.S., Lister S.J. Standard normal variate transformation and de-trending of near-infrared diffuse reflectance spectra. Appl. Spectrosc. 1989, 43:772-777.
    • (1989) Appl. Spectrosc. , vol.43 , pp. 772-777
    • Barnes, R.J.1    Dhanoa, M.S.2    Lister, S.J.3
  • 50
    • 4644240577 scopus 로고    scopus 로고
    • MVC1: an integrated Matlab toolbox for first-order multivariate calibration
    • Olivieri A.C., Goicoechea H.C., Iñón F.A. MVC1: an integrated Matlab toolbox for first-order multivariate calibration. Chemometr. Intell. Lab. Syst. 2004, 73:189-197.
    • (2004) Chemometr. Intell. Lab. Syst. , vol.73 , pp. 189-197
    • Olivieri, A.C.1    Goicoechea, H.C.2    Iñón, F.A.3


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