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Volumn 21, Issue 10-11, 2007, Pages 406-426

A new holistic exploratory approach to systems biology by near infrared spectroscopy evaluated by chemometrics and data inspection

Author keywords

'top down bottom up' data modelling; Indeterminacy in systems biology; Interval iECVA iPLSR spectral interpretation; Self organisation in an endosperm mutant model; The NIR spectral phenome

Indexed keywords

GENE EXPRESSION; HISTOLOGY; INFRARED DEVICES; LEAST SQUARES APPROXIMATIONS; NEAR INFRARED SPECTROSCOPY;

EID: 36148988416     PISSN: 08869383     EISSN: 1099128X     Source Type: Journal    
DOI: 10.1002/cem.1079     Document Type: Review
Times cited : (49)

References (76)
  • 2
    • 0003826721 scopus 로고    scopus 로고
    • Multi- and Megavariate Data Analysis - Basic principles and Applications
    • 2nd edition, Umetrics AB: Umeå, Sweden
    • Eriksson L, Johansson E, Kattaneh-Wold N, Trygg J, Wikström C, Wold S. Multi- and Megavariate Data Analysis - Basic principles and Applications. 2nd edition, Part 1 and 2. Umetrics AB: Umeå, Sweden, 2006.
    • (2006) Part 1 and 2
    • Eriksson, L.1    Johansson, E.2    Kattaneh-Wold, N.3    Trygg, J.4    Wikström, C.5    Wold, S.6
  • 3
    • 0036685920 scopus 로고    scopus 로고
    • New and old trends in chemometrics. How to deal with the increasing data volumes in R&D&P (research, development and production) - with examples from pharmaceutical research and process modelling
    • Wold S, Berglund A, Kettaneh N. New and old trends in chemometrics. How to deal with the increasing data volumes in R&D&P (research, development and production) - with examples from pharmaceutical research and process modelling. J. Chemometrics 2002; 16: 377-438.
    • (2002) J. Chemometrics , vol.16 , pp. 377-438
    • Wold, S.1    Berglund, A.2    Kettaneh, N.3
  • 4
    • 0036007687 scopus 로고    scopus 로고
    • Metabolomics - the link between the genotype and phenotype
    • Fiehn O. Metabolomics - the link between the genotype and phenotype. Plant Molecular Biology 2002; 48: 158-171.
    • (2002) Plant Molecular Biology , vol.48 , pp. 158-171
    • Fiehn, O.1
  • 6
    • 85153544380 scopus 로고    scopus 로고
    • Munck L. The Revolutionary Aspect of Exploratory Chemometric Technology. The Universe and the Biological Cell as Computers. Available at lmu@life.ku.dk Quality and Technology, Department of Food Science, Faculty of Life Science, Copenhagen, Narayana Press, Gylling, Denmark. 2005; pp. 352.
    • Munck L. The Revolutionary Aspect of Exploratory Chemometric Technology. The Universe and the Biological Cell as Computers. Available at lmu@life.ku.dk Quality and Technology, Department of Food Science, Faculty of Life Science, Copenhagen, Narayana Press, Gylling, Denmark. 2005; pp. 352.
  • 7
    • 0003604652 scopus 로고    scopus 로고
    • Williams PK, Norris K eds, American Association of Cereal Chemist: St. Paul, MN, USA
    • Williams PK, Norris K (eds). Near Infrared Technology. American Association of Cereal Chemist: St. Paul, MN, USA, 2001.
    • (2001) Near Infrared Technology
  • 8
    • 78049298792 scopus 로고    scopus 로고
    • Breeding for quality traits in cereals - a revised outlook on old and new tools for integrated breeding
    • Carena MJ ed, Springer Publishers: New York; in press
    • Munck. Breeding for quality traits in cereals - a revised outlook on old and new tools for integrated breeding. In Cereals, Carena MJ (ed.). Springer Publishers: New York; in press, 2007; pp. 1-30.
    • (2007) Cereals , pp. 1-30
    • Munck1
  • 9
    • 0003464717 scopus 로고
    • Organisation for Economic Cooperation and Development OECD, Paris
    • Jantsch E. Technological Forecasting in Perspective. Organisation for Economic Cooperation and Development (OECD): Paris, 1967.
    • (1967) Technological Forecasting in Perspective
    • Jantsch, E.1
  • 10
    • 0014958494 scopus 로고
    • Gene for improved nutritional value in cereals
    • Munck L, Karlsson KE, Hagberg A, Eggum B. Gene for improved nutritional value in cereals. Science 1970; 168: 985-987.
    • (1970) Science , vol.168 , pp. 985-987
    • Munck, L.1    Karlsson, K.E.2    Hagberg, A.3    Eggum, B.4
  • 13
    • 0000325341 scopus 로고
    • On lines and planes of closest fit to systems of points in space
    • Pearsson K. On lines and planes of closest fit to systems of points in space. Philos. Mag. 1901; 2: 559-572.
    • (1901) Philos. Mag , vol.2 , pp. 559-572
    • Pearsson, K.1
  • 15
    • 36148986718 scopus 로고
    • Least squares and laws of population growth
    • Wilson EB, Puffer RR. Least squares and laws of population growth. Proc. Acad. Arts. Sci. 1933; 68(9): 285-382.
    • (1933) Proc. Acad. Arts. Sci , vol.68 , Issue.9 , pp. 285-382
    • Wilson, E.B.1    Puffer, R.R.2
  • 16
    • 36148977116 scopus 로고    scopus 로고
    • On the intellectual versatility of Karl Pearson
    • Williams RH, Zumbo BD. On the intellectual versatility of Karl Pearson. Hum. Nat. Rev. 2002; 3: 296-301.
    • (2002) Hum. Nat. Rev , vol.3 , pp. 296-301
    • Williams, R.H.1    Zumbo, B.D.2
  • 17
  • 18
    • 33750738133 scopus 로고    scopus 로고
    • Conceptual validation of self-organisation studied by spectroscopy in an endosperm gene model as a data driven logistic strategy in chemometrics
    • Munck L. Conceptual validation of self-organisation studied by spectroscopy in an endosperm gene model as a data driven logistic strategy in chemometrics. Chemom. Intell. Lab. Syst. 2006; 84: 26-32.
    • (2006) Chemom. Intell. Lab. Syst , vol.84 , pp. 26-32
    • Munck, L.1
  • 22
    • 0003763968 scopus 로고
    • 2nd edition. The University of Chicago Press: Chicago, USA
    • Kingsland SE. Modelling Nature, 2nd edition. The University of Chicago Press: Chicago, USA, 1995.
    • (1995) Modelling Nature
    • Kingsland, S.E.1
  • 23
    • 0015133749 scopus 로고
    • Self-organisation of matter and the evolution of biological macromolecules
    • Eigen M. Self-organisation of matter and the evolution of biological macromolecules. Naturwissenschaften 1971; 58: 465-521.
    • (1971) Naturwissenschaften , vol.58 , pp. 465-521
    • Eigen, M.1
  • 24
    • 0035464637 scopus 로고    scopus 로고
    • Systems biology in briefings in bioinformatics
    • Wolkenhauer O. Systems biology in briefings in bioinformatics. Theory Appl. Biol. 2001; 2i(3): 258-270.
    • (2001) Theory Appl. Biol , vol.2 i , Issue.3 , pp. 258-270
    • Wolkenhauer, O.1
  • 25
    • 0000338832 scopus 로고
    • Recursive versus non recursive systems: An attempt at synthesis
    • Strotz RH, Wold H. Recursive versus non recursive systems: an attempt at synthesis. Econometrica 1960; 28: 417-424.
    • (1960) Econometrica , vol.28 , pp. 417-424
    • Strotz, R.H.1    Wold, H.2
  • 26
    • 0001752079 scopus 로고
    • The relative importance of heredity and environment in determining piebald patterns of guinea pigs
    • Wright S. The relative importance of heredity and environment in determining piebald patterns of guinea pigs. Proc. Natl. Acad. Sci. 1920; 6: 320-332.
    • (1920) Proc. Natl. Acad. Sci , vol.6 , pp. 320-332
    • Wright, S.1
  • 27
    • 85153541792 scopus 로고    scopus 로고
    • K. G. Jöreskog KG, Wold H (eds). Systems Under Indirect Observation. North Holland Publ. Co: Amsterdam II, 1982; pp. 1-94.
    • K. G. Jöreskog KG, Wold H (eds). Systems Under Indirect Observation. North Holland Publ. Co: Amsterdam II, 1982; pp. 1-94.
  • 28
    • 36148942753 scopus 로고
    • On the transition from pattern recognition to model building
    • Henn R, Moeschlin O eds, Springer Verlag: Berlin
    • Wold H. On the transition from pattern recognition to model building. In Mathematical Economics and Game Theory; Essays in honour of Oscar Morgenstern, Henn R, Moeschlin O (eds). Springer Verlag: Berlin, 1977; pp. 536-549.
    • (1977) Mathematical Economics and Game Theory; Essays in honour of Oscar Morgenstern , pp. 536-549
    • Wold, H.1
  • 31
    • 0026349146 scopus 로고
    • Chemometrics, why, what and where to next?
    • Wold S. Chemometrics, why, what and where to next? J. Pharm. Biomed. Anal. 1991; 9: 589-596.
    • (1991) J. Pharm. Biomed. Anal , vol.9 , pp. 589-596
    • Wold, S.1
  • 33
    • 0000756275 scopus 로고
    • Partial least squares regression: A new two-stage NIR calibration method. In Progress in Cereal Chemistry and Technology
    • Holas J, Kratochivil J eds, Elsevier: Amsterdam
    • Martens H, Jensen SA. Partial least squares regression: a new two-stage NIR calibration method. In Progress in Cereal Chemistry and Technology. Proc. of the 7th World Cereal and Bread Congress, J. Holas J, Kratochivil J (eds). Elsevier: Amsterdam, 1983: pp. 607.
    • (1983) Proc. of the 7th World Cereal and Bread Congress, J , pp. 607
    • Martens, H.1    Jensen, S.A.2
  • 35
    • 0002661030 scopus 로고
    • Multivariate linearity transformation for near-infrared spectrometry
    • ed, Stockands Forlag: Stavanger, Norway
    • Martens H, Jensen SA, Geladi P. Multivariate linearity transformation for near-infrared spectrometry. In Proc. Nordic Symp. on Applied Statistics, Christie OHJ (ed.). Stockands Forlag: Stavanger, Norway, 1983; pp. 208-234.
    • (1983) Proc. Nordic Symp. on Applied Statistics , pp. 208-234
    • Martens, H.1    Jensen, S.A.2    Geladi, P.3
  • 36
    • 0003009442 scopus 로고    scopus 로고
    • Multi-way calibration. Multilinear PLS
    • Bro R. Multi-way calibration. Multilinear PLS. Chemom. Intell. Lab. Syst. 1996; 10(1): 47-61.
    • (1996) Chemom. Intell. Lab. Syst , vol.10 , Issue.1 , pp. 47-61
    • Bro, R.1
  • 37
    • 0030813663 scopus 로고    scopus 로고
    • PARAFAC tutorial and applications
    • Bro R. PARAFAC tutorial and applications. Chemom. Intell. Lab. Syst. 1997; 38(2): 149-171.
    • (1997) Chemom. Intell. Lab. Syst , vol.38 , Issue.2 , pp. 149-171
    • Bro, R.1
  • 38
    • 0033559991 scopus 로고    scopus 로고
    • Exploratory study of sugar production using fluorescence spectroscopy and multi-way analysis
    • Bro R. Exploratory study of sugar production using fluorescence spectroscopy and multi-way analysis. Chemom. Intell. Lab. Syst. 1999; 46: 133-147.
    • (1999) Chemom. Intell. Lab. Syst , vol.46 , pp. 133-147
    • Bro, R.1
  • 40
    • 0032517776 scopus 로고    scopus 로고
    • Chemometrics in food science - a demonstration of the feasibility of a highly exploratory, inductive evaluation strategy of fundamental scientific significance
    • Munck L, Nargaard L, Engelsen SB, Bro R, Anderson CA. Chemometrics in food science - a demonstration of the feasibility of a highly exploratory, inductive evaluation strategy of fundamental scientific significance. Chemom. Intell. Lab. Syst. 1998; 44: 31-60.
    • (1998) Chemom. Intell. Lab. Syst , vol.44 , pp. 31-60
    • Munck, L.1    Nargaard, L.2    Engelsen, S.B.3    Bro, R.4    Anderson, C.A.5
  • 42
    • 33745698717 scopus 로고    scopus 로고
    • Multivariate autofluorescence of intact food
    • Christensen J, Nargaard L, Bro R, Engelsen SB. Multivariate autofluorescence of intact food. Chem. Rev. 2006; 106(6): 1979-1994.
    • (2006) Chem. Rev , vol.106 , Issue.6 , pp. 1979-1994
    • Christensen, J.1    Nargaard, L.2    Bro, R.3    Engelsen, S.B.4
  • 44
    • 3042653072 scopus 로고    scopus 로고
    • Rapid dioxin assessment in fish products by fatty acid pattern recognition
    • Bassompierre M, Munck L, Bro R, Engelsen SB. Rapid dioxin assessment in fish products by fatty acid pattern recognition. The Analyst 2004; 128: 553-558.
    • (2004) The Analyst , vol.128 , pp. 553-558
    • Bassompierre, M.1    Munck, L.2    Bro, R.3    Engelsen, S.B.4
  • 45
    • 2542557543 scopus 로고    scopus 로고
    • A new germinative classification model of barley for prediction of malt quality amplified by a Near Infrared Transmission spectroscopy calibration for vigour "on-line" both implemented by multivariate data analysis
    • Munck L, Møller B. A new germinative classification model of barley for prediction of malt quality amplified by a Near Infrared Transmission spectroscopy calibration for vigour "on-line" both implemented by multivariate data analysis. J. Institute Brew. 2004; 110(1): 3-17.
    • (2004) J. Institute Brew , vol.110 , Issue.1 , pp. 3-17
    • Munck, L.1    Møller, B.2
  • 46
    • 0001988497 scopus 로고    scopus 로고
    • Multivariate calibration by data compression
    • Williams P, Norris K eds, American Association of Cereal Chemist: St. Paul, MN, USA
    • Martens H, Næs T. Multivariate calibration by data compression. In Near Infrared Technology, Williams P, Norris K (eds). American Association of Cereal Chemist: St. Paul, MN, USA, 2001; pp. 59-100.
    • (2001) Near Infrared Technology , pp. 59-100
    • Martens, H.1    Næs, T.2
  • 47
    • 85153546546 scopus 로고    scopus 로고
    • Munck L, Møller B, Jacobsen S, Søndergaard I. Near infrared spectra indicate specific mutant endosperm genes and reveal a new mechanism for substituting starch with (1 → 3,1 → 4)-β-glucan in barley. J. Cereal Sci. 2004; 40: 213-222.
    • Munck L, Møller B, Jacobsen S, Søndergaard I. Near infrared spectra indicate specific mutant endosperm genes and reveal a new mechanism for substituting starch with (1 → 3,1 → 4)-β-glucan in barley. J. Cereal Sci. 2004; 40: 213-222.
  • 48
    • 26444539018 scopus 로고    scopus 로고
    • A chemometric evaluation of the underlying physical and chemical patterns that support Near Infrared spectroscopy of barley seeds as a tool for explorative classification of endosperm genes and gene combinations
    • Jacobsen S, Søndergaard I, Mailer B, Desler T, Munck L. A chemometric evaluation of the underlying physical and chemical patterns that support Near Infrared spectroscopy of barley seeds as a tool for explorative classification of endosperm genes and gene combinations. J. Cereal Sci. 2005; 42(3): 281-299.
    • (2005) J. Cereal Sci , vol.42 , Issue.3 , pp. 281-299
    • Jacobsen, S.1    Søndergaard, I.2    Mailer, B.3    Desler, T.4    Munck, L.5
  • 49
    • 85153539999 scopus 로고    scopus 로고
    • See and, www.Latentix.com
    • See www.models.life.ku.dk and www.Latentix.com
  • 50
    • 33747894586 scopus 로고    scopus 로고
    • Genetic variability in cereal carbohydrate compositions and potentials for improving nutritional value
    • Rudi H, Uhlen AK, Harstad OM, Munck L. Genetic variability in cereal carbohydrate compositions and potentials for improving nutritional value. Animal Feed. Sci. Techn. 2006; 130(1-2): 55-65.
    • (2006) Animal Feed. Sci. Techn , vol.130 , Issue.1-2 , pp. 55-65
    • Rudi, H.1    Uhlen, A.K.2    Harstad, O.M.3    Munck, L.4
  • 52
    • 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, Pram Nielsen J, Munck L, Engelsen SB. Interval partial least squares regression (iPLS): a comparative chemometric study with an example from Near-Infrared spectroscopy. Appl. Spectr. 2000; 54(3): 413-419.
    • (2000) Appl. Spectr , vol.54 , Issue.3 , pp. 413-419
    • Nørgaard, L.1    Saudland, A.2    Wagner, J.3    Pram Nielsen, J.4    Munck, L.5    Engelsen, S.B.6
  • 53
    • 34249294419 scopus 로고    scopus 로고
    • A modification of canonical variants to handle highly collinear multivariate data
    • Nørgaard L, Bro R, Westad F, Balling Engelsen S. A modification of canonical variants to handle highly collinear multivariate data. J. Chemometrics 2006; 20: 425-435.
    • (2006) J. Chemometrics , vol.20 , pp. 425-435
    • Nørgaard, L.1    Bro, R.2    Westad, F.3    Balling Engelsen, S.4
  • 54
    • 0037314976 scopus 로고    scopus 로고
    • Light Scattering and light absorbance separated by Extended Multiplicative Signal Correction (EMCSC) Application to NIT analyses of powder mixtures
    • Martens H, Pram Nielsen J, Balling Engelsen S. Light Scattering and light absorbance separated by Extended Multiplicative Signal Correction (EMCSC) Application to NIT analyses of powder mixtures. Anal. Chem. 2002; 75: 394-404.
    • (2002) Anal. Chem , vol.75 , pp. 394-404
    • Martens, H.1    Pram Nielsen, J.2    Balling Engelsen, S.3
  • 55
    • 85153551114 scopus 로고    scopus 로고
    • The Power of Customary Views
    • Danish edition, Copenhagen
    • Zinkernagel P. The Power of Customary Views, Danish edition. Gerd Preislers Forlag: Copenhagen, 2001.
    • (2001) Gerd Preislers Forlag
    • Zinkernagel, P.1
  • 56
    • 85153547101 scopus 로고    scopus 로고
    • S. Wold S, Sjöström M. Chemometrics: present and future success. Chemom. Intell. Lab. Syst. 1998; 44: 3-14.
    • S. Wold S, Sjöström M. Chemometrics: present and future success. Chemom. Intell. Lab. Syst. 1998; 44: 3-14.
  • 58
    • 23044533796 scopus 로고    scopus 로고
    • Dynamics of correlations. A formalism for both integrable and non-Integrable systems
    • Antoniou I ed, John Wiley & Sons: New York, USA
    • Prigogine I. Dynamics of correlations. A formalism for both integrable and non-Integrable systems. In Advances in Chemical Physics, Antoniou I (ed.). John Wiley & Sons: New York, USA, 2001: 261-276.
    • (2001) Advances in Chemical Physics , pp. 261-276
    • Prigogine, I.1
  • 61
    • 85153542232 scopus 로고    scopus 로고
    • Comparative transcriptional and proteomic profiling of bread wheat cv Bobwhite and its derived transgenic line over-expressing a lmw-gs gene
    • University of Lleida, Spain, Abstract p. 113
    • Scossa F, Laudencia-Chingcuanco D, Anderson OD, Lafiandra D, DOvido R, Masci S. Comparative transcriptional and proteomic profiling of bread wheat cv Bobwhite and its derived transgenic line over-expressing a lmw-gs gene. Eucrarpia Symposium Cereal Science and Technology, University of Lleida, Spain, Abstract p. 113.
    • Eucrarpia Symposium Cereal Science and Technology
    • Scossa, F.1    Laudencia-Chingcuanco, D.2    Anderson, O.D.3    Lafiandra, D.4    DOvido, R.5    Masci, S.6
  • 62
    • 0347908812 scopus 로고
    • The theory of evolution today
    • Koestler A, Smythies S eds, Radius Books: UK
    • Waddington CF. The theory of evolution today. In Beyond Reductionism. The Albach Symp, Koestler A, Smythies S (eds). Radius Books: UK, 1970; 375-395.
    • (1970) Beyond Reductionism. The Albach Symp , pp. 375-395
    • Waddington, C.F.1
  • 66
    • 36148935619 scopus 로고    scopus 로고
    • fluorescence spectroscopy and chemometrics for classification of breast cancer samples - a feasibility study using extended canonical variate analysis
    • In press, DOI: 10.1002/cem.1042
    • Nørgaard L, Sölétormos G, Harrit N, Albrechtsen M, Olsen O, Nielsen D, Kampmann K, Bro R. fluorescence spectroscopy and chemometrics for classification of breast cancer samples - a feasibility study using extended canonical variate analysis. J. Chemometrics, In press, 2007, DOI: 10.1002/cem.1042.
    • (2007) J. Chemometrics
    • Nørgaard, L.1    Sölétormos, G.2    Harrit, N.3    Albrechtsen, M.4    Olsen, O.5    Nielsen, D.6    Kampmann, K.7    Bro, R.8
  • 67
    • 0029937817 scopus 로고    scopus 로고
    • Hordein promoto methylation and transcriptional activity in wild type and mutant barley endosperm
    • Blom-Sørensen M-M, Muller J, Skerritt J, Simpson D. Hordein promoto methylation and transcriptional activity in wild type and mutant barley endosperm. Mol. Gen. Genet. 1996; 250: 750-760.
    • (1996) Mol. Gen. Genet , vol.250 , pp. 750-760
    • Blom-Sørensen, M.-M.1    Muller, J.2    Skerritt, J.3    Simpson, D.4
  • 68
    • 0000094739 scopus 로고
    • Proto-oncogenes in plants
    • Hagede D. Proto-oncogenes in plants. Plant Physiol. Biochem. 1993; 31(4): 621-629.
    • (1993) Plant Physiol. Biochem , vol.31 , Issue.4 , pp. 621-629
    • Hagede, D.1
  • 69
    • 0342563139 scopus 로고
    • On certain aspects of the evolutionary process. In Russian 1926. English Translation
    • Chetverikov SS. On certain aspects of the evolutionary process. In Russian 1926. English Translation. Proc. American. Phil. Soc 1961; 105(2): 167-195.
    • (1961) Proc. American. Phil. Soc , vol.105 , Issue.2 , pp. 167-195
    • Chetverikov, S.S.1
  • 70
    • 36148998667 scopus 로고    scopus 로고
    • From Bean bag genetics to feed back genetics. Bridging the gap between regulatory biology and quantitative genetics theory
    • Veitia RA ed, Landes Bioscience: Georgetown, Texas, USA
    • Omholt SW. From Bean bag genetics to feed back genetics. Bridging the gap between regulatory biology and quantitative genetics theory. In The Biology of Genetic Dominance, Veitia RA (ed.). Landes Bioscience: Georgetown, Texas, USA, 2006; pp. 131-153.
    • (2006) The Biology of Genetic Dominance , pp. 131-153
    • Omholt, S.W.1
  • 72
    • 21644461883 scopus 로고    scopus 로고
    • Ratha N, Bolle R eds, Springer Verlag: New York, USA
    • Ratha N, Bolle R (eds). Automatic Fingerprint Recognition Systems. Springer Verlag: New York, USA, 2004.
    • (2004) Automatic Fingerprint Recognition Systems
  • 73
    • 10444286011 scopus 로고    scopus 로고
    • Analysis of genetic marker-phenotype relationships by jack-knifed partial least squares regression (PLSR)
    • Bjørnstad Å, Westad F, Martens M. Analysis of genetic marker-phenotype relationships by jack-knifed partial least squares regression (PLSR). Hereditas 2004; 141: 149-165.
    • (2004) Hereditas , vol.141 , pp. 149-165
    • Bjørnstad, A.1    Westad, F.2    Martens, M.3
  • 74
    • 0028931857 scopus 로고
    • Multiple significant tests: The Bonferroni method
    • Bland JM, Altman DG. Multiple significant tests: the Bonferroni method. BMJ 1995; 310: 170.
    • (1995) BMJ , vol.310 , pp. 170
    • Bland, J.M.1    Altman, D.G.2


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