Skip to main content

Chemometric Multivariate Tools for Candidate Biomarker Identification: LDA, PLS-DA, SIMCA, Ranking-PCA

  • Protocol
2-D PAGE Map Analysis

Part of the book series: Methods in Molecular Biology ((MIMB,volume 1384))

Abstract

2-D gel electrophoresis usually provides complex maps characterized by a low reproducibility: this hampers the use of spot volume data for the identification of reliable biomarkers. Under these circumstances, effective and robust methods for the comparison and classification of 2-D maps are fundamental for the identification of an exhaustive panel of candidate biomarkers. Multivariate methods are the most suitable since they take into consideration the relationships between the variables, i.e., effects of synergy and antagonism between the spots. Here the most common multivariate methods used in spot volume datasets analysis are presented. The methods are applied on a sample dataset to prove their effectiveness.

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Protocol
USD 49.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 89.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 119.00
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info
Hardcover Book
USD 109.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

References

  1. Massart DL, Vandeginste BGM, Deming SM, Michotte Y, Kaufman L (1988) Chemometrics: a textbook. Elsevier, Amsterdam

    Google Scholar 

  2. Vandeginste BGM, Massart DL, Buydens LMC, De Yong S, Lewi PJ, Smeyers-Verbeke J (1988) Handbook of chemometrics and qualimetrics: part B. Elsevier, Amsterdam

    Google Scholar 

  3. Frank IE, Lanteri S (1989) Classification models: discriminant analysis, SIMCA, CART. Chemometr Intell Lab Syst 5:247–256

    Article  CAS  Google Scholar 

  4. Marengo E, Robotti E, Righetti PG, Campostrini N, Pascali J, Ponzoni M, Hamdan M, Astner H (2004) Study of proteomic changes associated with healthy and tumoral murine samples in neuroblastoma by principal component analysis and classification methods. Clin Chim Acta 345:55–67

    Article  CAS  PubMed  Google Scholar 

  5. Marengo E, Robotti E, Bobba M, Liparota MC, Rustichelli C, Zamò A, Chilosi M, Righetti PG (2006) Multivariate statistical tools applied to the characterization of the proteomic profiles of two human lymphoma cell lines by two-dimensional gel electrophoresis. Electrophoresis 27:484–494

    Article  CAS  PubMed  Google Scholar 

  6. Marengo E, Robotti E, Bobba M, Righetti PG (2008) Evaluation of the variables characterized by significant discriminating power in the application of SIMCA classification method to proteomic studies. J Proteome Res 7:2789–2796

    Article  CAS  PubMed  Google Scholar 

  7. Martens H, Naes T (1989) Multivariate calibration. Wiley, London

    Google Scholar 

  8. Seasholtz MB, Kowalski B (1993) The parsimony principle applied to multivariate calibration. Anal Chim Acta 277:165–177

    Article  CAS  Google Scholar 

  9. Booksh KS, Kowalski BR (1997) Calibration method choice by comparison of model basis functions to the theoretical instrumental response function. Anal Chim Acta 348(1–3):1–9

    Article  CAS  Google Scholar 

  10. Gributs CE, Burns DH (2006) Parsimonious calibration models for near-infrared spectroscopy using wavelets and scaling functions. Chemometr Intell Lab Syst 83(1):44–53

    Article  CAS  Google Scholar 

  11. Lo Re VIII, Bellini LM (2002) William of Occam and Occam’s razor. Ann Intern Med 136(8):634–635

    PubMed  Google Scholar 

  12. Robotti E, Demartini M, Gosetti F, Calabrese G, Marengo E (2011) Development of a classification and ranking method for the identification of possible biomarkers in two-dimensional gel-electrophoresis based on principal component analysis and variable selection procedures. Mol Biosyst 7(3):677–686

    Article  CAS  PubMed  Google Scholar 

  13. Marengo E, Robotti E, Bobba M, Gosetti F (2010) The principle of exhaustiveness versus the principle of parsimony: a new approach for the identification of biomarkers from proteomic spot volume datasets based on principal component analysis. Anal Bioanal Chem 397(1):25–41

    Article  CAS  PubMed  Google Scholar 

  14. Polati R, Menini M, Robotti E, Millioni R, Marengo E, Novelli E, Balzan S, Cecconi D (2012) Proteomic changes involved in tenderization of bovine Longissimus dorsi muscle during prolonged ageing. Food Chem 135:2052–2069

    Article  CAS  PubMed  Google Scholar 

  15. Esbensen KH, Guyot D, Westad F, Houmoller LP (2002) Multivariate data analysis—in practice: an introduction to multivariate data analysis and experimental design. CAMO Process Inc., Oslo, Norway

    Google Scholar 

Download references

Acknowledgements

The authors gratefully acknowledge the collaboration of Dr. Daniela Cecconi (University of Verona) who provided the biological samples and the 2D-maps used in this study.

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to Elisa Robotti .

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2016 Springer Science+Business Media New York

About this protocol

Cite this protocol

Robotti, E., Marengo, E. (2016). Chemometric Multivariate Tools for Candidate Biomarker Identification: LDA, PLS-DA, SIMCA, Ranking-PCA. In: Marengo, E., Robotti, E. (eds) 2-D PAGE Map Analysis. Methods in Molecular Biology, vol 1384. Humana Press, New York, NY. https://doi.org/10.1007/978-1-4939-3255-9_14

Download citation

  • DOI: https://doi.org/10.1007/978-1-4939-3255-9_14

  • Publisher Name: Humana Press, New York, NY

  • Print ISBN: 978-1-4939-3254-2

  • Online ISBN: 978-1-4939-3255-9

  • eBook Packages: Springer Protocols

Publish with us

Policies and ethics