Integrating Optical Spectroscopy and Chemometric Methods

  • Karolina Jagiełło
  • Anita Sosnowska
  • Jan Mazerski
  • Tomasz PuzynEmail author
Part of the Challenges and Advances in Computational Chemistry and Physics book series (COCH, volume 14)


In this Chapter, we describe the usage of several chemometric and numerical techniques to analyse of UV-Vis sets of spectra. The fundamentals of each technique are briefly presented with examples of its applications. This approach allows obtaining deeper insight in studied system. These methods can be used not only to analyze aggregation process, as it was presented in the Chapter, but also to study the interaction between small ligands and macromolecules, such as DNA. Determination of the number of formed complexes and the binding constant of interaction ligand/macromolecules can be received with this methodology.


Chememetrics UV-Vis spectra aggregation imidazoacridines 



This work was supported by the Polish Ministry of Science and Higher Education, Grant No. DS/8180-4-0171-13


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Copyright information

© Springer Science+Business Media Dordrecht 2014

Authors and Affiliations

  • Karolina Jagiełło
    • 1
  • Anita Sosnowska
    • 1
  • Jan Mazerski
    • 2
  • Tomasz Puzyn
    • 1
    Email author
  1. 1.Laboratory of Environmental Chemometrics, Faculty of ChemistryUniversity of GdanskGdanskPoland
  2. 2.Department of Pharmaceuticals Technology and Biochemistry, Chemical FacultyGdansk University of TechnologyGdanskPoland

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