2 Integrating Optical Spectroscopy and Chemometric Methods
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2.4 Conclusions
Application of chemometric and numerical methods can be used to analyse spectroscopic spectra. We presented these applications for the aggregations process that
give interesting results even when the spectra of spectral forms presented in the
sample differ slightly. the presented approach is universal if the model of the process is known. this methods can be also used to study the interaction between small
ligands and macromolecules, such as dNA, for determining the number of formed
complexes and the binding constant of interaction ligand/macromolecules. the
chemometrics approach to an experimental data allows obtaining deeper insight in
studied system. Application of various statistical methods is particular useful when
classical simplified assumption is not valid.
Acknowledgements  this work was supported by the Polish ministry of Science and higher
Education, grant No. dS/8180-4-0171-13
Fig. 2.6 Standardized spectra for monomer ( red line) and aggregate ( green line) for C-1330
in 5 mm NaCl