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Integrating Optical Spectroscopy and Chemometric Methods

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Optical Spectroscopy and Computational Methods in Biology and Medicine

Part of the book series: Challenges and Advances in Computational Chemistry and Physics ((COCH,volume 14))

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Abstract

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.

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Acknowledgements

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

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Authors and Affiliations

  1. Laboratory of Environmental Chemometrics, Faculty of Chemistry, University of Gdansk, Gdansk, Poland

    Karolina Jagiełło, Anita Sosnowska & Tomasz Puzyn

  2. Department of Pharmaceuticals Technology and Biochemistry, Chemical Faculty, Gdansk University of Technology, Gdansk, Poland

    Jan Mazerski

Authors
  1. Karolina Jagiełło
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  2. Anita Sosnowska
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  3. Jan Mazerski
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  4. Tomasz Puzyn
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Corresponding author

Correspondence to Tomasz Puzyn .

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Editors and Affiliations

  1. Faculty of Chemistry, Jagiellonian University, Ingardena 3, Krakow, Poland

    Malgorzata Baranska

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Jagiełło, K., Sosnowska, A., Mazerski, J., Puzyn, T. (2014). Integrating Optical Spectroscopy and Chemometric Methods. In: Baranska, M. (eds) Optical Spectroscopy and Computational Methods in Biology and Medicine. Challenges and Advances in Computational Chemistry and Physics, vol 14. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-7832-0_2

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